-ISIS- 02101918162D 16 16 0 0 0 0 0 0 0 0999 V2000 1.7667 -0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -2.0125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1958 -0.7708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1958 -1.6000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0542 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 0.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -2.0125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3792 -2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0917 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 -2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 7 3 0 0 0 0 9 3 2 0 0 0 0 10 2 1 0 0 0 0 11 6 1 0 0 0 0 12 6 1 0 0 0 0 13 10 1 0 0 0 0 14 13 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 4 6 1 0 0 0 0 M END > (001687648) 001687648 > (001687648) 950 $$$$ -ISIS- 02101918162D 19 21 0 0 0 0 0 0 0 0999 V2000 1.1167 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -2.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -1.8958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.8917 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 -1.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 -2.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -1.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -3.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6208 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6083 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4333 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6792 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 8 1 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 6 2 0 0 0 0 12 10 2 0 0 0 0 13 10 1 0 0 0 0 14 5 1 0 0 0 0 15 12 1 0 0 0 0 16 13 2 0 0 0 0 17 16 1 0 0 0 0 18 9 1 0 0 0 0 19 17 1 0 0 0 0 7 9 2 0 0 0 0 4 5 1 0 0 0 0 15 17 2 0 0 0 0 M END > (004911424) 004911424 > (004911424) 1170 $$$$ -ISIS- 02101918162D 8 6 0 0 0 0 0 0 0 0999 V2000 6.2542 -6.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -7.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9625 -7.4042 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.2500 -6.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -8.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -6.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -7.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0333 -6.3417 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 M CHG 2 3 -1 8 1 M END > (006223254) 006223254 > (006223254) 1250 > (006223254) K+ $$$$ -ISIS- 02101918162D 13 14 0 0 0 0 0 0 0 0999 V2000 -1.6333 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2083 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 1.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3458 0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9167 -1.8542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 4 2 0 0 0 0 9 2 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 12 10 2 0 0 0 0 13 11 2 0 0 0 0 5 6 2 0 0 0 0 13 12 1 0 0 0 0 M END > (006228888) 006228888 > (006228888) 1000 $$$$ -ISIS- 02101918162D 15 15 0 0 0 0 0 0 0 0999 V2000 3.5792 -3.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2958 -3.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -4.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -4.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -2.2125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -3.0375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5792 -4.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -4.6792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4333 -3.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -1.8000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -5.5042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -4.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2958 -1.8000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 5 1 0 0 0 0 10 7 1 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 9 1 0 0 0 0 14 9 1 0 0 0 0 15 6 1 0 0 0 0 4 8 2 0 0 0 0 M END > (006272927) 006272927 > (006272927) 3230 > (006272927) 2HCl $$$$ -ISIS- 02101918162D 12 12 0 0 0 0 0 0 0 0999 V2000 5.2500 -7.2542 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 7.0417 -7.3250 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 5.9667 -7.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -6.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -6.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -7.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9625 -8.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -8.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -5.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2458 -8.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 6 1 0 0 0 0 9 5 1 0 0 0 0 10 4 1 0 0 0 0 11 9 1 0 0 0 0 12 8 1 0 0 0 0 7 12 1 0 0 0 0 10 11 1 0 0 0 0 M CHG 2 1 1 2 -1 M END > (006292321) 006292321 > (006292321) 21870 > (006292321) Br- $$$$ -ISIS- 02101918162D 13 13 0 0 0 0 0 0 0 0999 V2000 2.8000 -0.3333 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.8042 -1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 -1.5667 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0583 -1.9792 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 2.0917 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -1.1625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -0.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -0.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8083 0.4917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5208 -1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5208 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 2 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 5 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 1 1 0 0 0 0 10 2 2 0 0 0 0 11 5 2 0 0 0 0 12 10 1 0 0 0 0 13 12 2 0 0 0 0 11 13 1 0 0 0 0 M CHG 2 3 1 4 -1 M END > (006336558) 006336558 > (006336558) 1100 $$$$ -ISIS- 02101918162D 14 15 0 0 0 0 0 0 0 0999 V2000 3.1333 -2.8167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.8583 -2.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8583 -1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1375 -1.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4208 -1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -3.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8417 -3.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -1.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 -1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 6 1 0 0 0 0 6 3 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 3 2 0 0 0 0 10 4 2 0 0 0 0 11 6 2 0 0 0 0 12 9 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 4 5 1 0 0 0 0 11 13 1 0 0 0 0 M END > (015963994) 015963994 > (015963994) 1000 $$$$ -ISIS- 02101918162D 20 22 0 0 0 0 0 0 0 0999 V2000 3.0625 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6417 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7708 -0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 0.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -2.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4833 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9125 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6250 -0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7708 0.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1958 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 2 2 0 0 0 0 10 4 2 0 0 0 0 11 7 2 0 0 0 0 12 11 1 0 0 0 0 13 18 1 0 0 0 0 14 13 2 0 0 0 0 15 7 1 0 0 0 0 16 5 2 0 0 0 0 17 6 2 0 0 0 0 18 11 1 0 0 0 0 19 17 1 0 0 0 0 20 16 1 0 0 0 0 8 12 2 0 0 0 0 5 6 1 0 0 0 0 20 19 2 0 0 0 0 M END > (024341711) 024341711 > (024341711) 3000 $$$$ -ISIS- 02101918162D 32 34 0 0 0 0 0 0 0 0999 V2000 -1.5583 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -5.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8708 -7.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5542 -4.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0708 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 -6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5542 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -6.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -3.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -1.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1583 -7.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 -1.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4292 -6.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -2.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -7.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -5.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6208 -5.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0458 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4292 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4292 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6750 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1958 -1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -7.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -7.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -6.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 10 1 0 0 0 0 4 7 1 0 0 0 0 5 22 1 0 0 0 0 6 3 1 0 0 0 0 7 20 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 26 1 0 0 0 0 11 1 1 0 0 0 0 12 27 1 0 0 0 0 13 1 2 0 0 0 0 14 2 2 0 0 0 0 15 3 2 0 0 0 0 16 4 2 0 0 0 0 17 6 2 0 0 0 0 18 17 1 0 0 0 0 19 8 2 0 0 0 0 20 21 2 0 0 0 0 21 6 1 0 0 0 0 22 23 2 0 0 0 0 23 8 1 0 0 0 0 24 19 1 0 0 0 0 25 11 1 0 0 0 0 26 29 1 0 0 0 0 27 30 1 0 0 0 0 28 9 1 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 31 28 1 0 0 0 0 32 25 1 0 0 0 0 5 24 2 0 0 0 0 18 7 2 0 0 0 0 12 4 1 0 0 0 0 M END > (027321327) 027321327 > (027321327) 1126 $$$$ -ISIS- 02101918162D 11 12 0 0 0 0 0 0 0 0999 V2000 2.9250 -1.3292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3292 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -1.3292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2125 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -1.7417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -2.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 2 0 0 0 0 7 4 1 0 0 0 0 8 10 1 0 0 0 0 9 6 1 0 0 0 0 10 7 2 0 0 0 0 11 8 1 0 0 0 0 3 2 1 0 0 0 0 8 9 2 0 0 0 0 M END > (104777-77-7) 104777-77-7 > (104777-77-7) 1700 > (104777-77-7) HCl $$$$ -ISIS- 02101918162D 19 18 0 0 0 0 0 0 0 0999 V2000 5.9125 -1.5917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2000 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -0.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6250 -0.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -1.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -1.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6375 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -1.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0625 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 6 1 0 0 0 0 9 8 1 0 0 0 0 10 11 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 9 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 19 10 1 0 0 0 0 M END > (20709-44-8) 20709-44-8 > (20709-44-8) 1000 $$$$ -ISIS- 02101918162D 13 13 0 0 0 0 0 0 0 0999 V2000 2.7167 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -1.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -0.5917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0000 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1792 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 -3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 10 2 0 0 0 0 12 9 1 0 0 0 0 13 11 1 0 0 0 0 13 12 2 0 0 0 0 M END > (6653-71-0) 6653-71-0 > (6653-71-0) 5000 $$$$ -ISIS- 02101918162D 10 10 0 0 0 0 0 0 0 0999 V2000 2.1792 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 0.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 0.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -1.5875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 5 1 0 0 0 0 10 3 1 0 0 0 0 6 3 2 0 0 0 0 M END > (A07.167.884) A07.167.884 > (A07.167.884) 1000 $$$$ -ISIS- 02101918162D 9 9 0 0 0 0 0 0 0 0999 V2000 -0.1500 -2.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -2.0042 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 2.1458 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.7208 2.1458 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 3 4 1 0 0 0 0 M END > (AF-399/25004325) AF-399/25004325 > (AF-399/25004325) 3300 $$$$ -ISIS- 02101918162D 12 12 0 0 0 0 0 0 0 0999 V2000 0.7542 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -2.8917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6583 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 3.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -2.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 0.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 3.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3458 -2.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 4 2 0 0 0 0 7 6 1 0 0 0 0 8 5 2 0 0 0 0 9 2 1 0 0 0 0 10 5 1 0 0 0 0 11 4 1 0 0 0 0 12 7 1 0 0 0 0 7 3 2 0 0 0 0 M END > (AF-399/25004795) AF-399/25004795 > (AF-399/25004795) 20552 $$$$ -ISIS- 02101918162D 10 10 0 0 0 0 0 0 0 0999 V2000 -0.9125 2.2208 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9208 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 3.1083 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.4833 3.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 -3.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 -3.2542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 2 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 10 2 0 0 0 0 8 2 2 0 0 0 0 9 4 1 0 0 0 0 10 8 1 0 0 0 0 4 7 1 0 0 0 0 M CHG 2 1 1 5 -1 M END > (AF-399/25006257) AF-399/25006257 > (AF-399/25006257) 18800 $$$$ -ISIS- 02101918162D 9 9 0 0 0 0 0 0 0 0999 V2000 -0.1458 -2.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 -2.0042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7250 2.1458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -2.0042 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 4 5 2 0 0 0 0 M END > (AF-399/34114024) AF-399/34114024 > (AF-399/34114024) 1000 $$$$ -ISIS- 02101918162D 10 10 0 0 0 0 0 0 0 0999 V2000 -0.0833 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -1.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -3.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9958 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9958 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 3.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 4 2 0 0 0 0 9 8 1 0 0 0 0 10 6 1 0 0 0 0 9 6 2 0 0 0 0 M END > (AF-399/40171304) AF-399/40171304 > (AF-399/40171304) 3200 $$$$ -ISIS- 02101918162D 12 13 0 0 0 0 0 0 0 0999 V2000 0.2375 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -1.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 1.4458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 0.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9417 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 7 2 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 1 1 0 0 0 0 11 12 1 0 0 0 0 12 10 2 0 0 0 0 5 11 2 0 0 0 0 4 6 1 0 0 0 0 M END > (AF-399/40744299) AF-399/40744299 > (AF-399/40744299) 900 $$$$ -ISIS- 02101918162D 13 14 0 0 0 0 0 0 0 0999 V2000 0.1667 -0.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 -0.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -1.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -0.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 4 2 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 8 2 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 7 2 0 0 0 0 13 12 1 0 0 0 0 9 7 1 0 0 0 0 13 11 2 0 0 0 0 M END > (AF-399/41144545) AF-399/41144545 > (AF-399/41144545) 3300 $$$$ -ISIS- 02101918162D 17 18 0 0 0 0 0 0 0 0999 V2000 0.7917 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -0.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8125 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 0.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0583 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 1.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7833 0.6333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 4 2 0 0 0 0 7 6 1 0 0 0 0 8 6 1 0 0 0 0 9 5 2 0 0 0 0 10 7 1 0 0 0 0 11 8 2 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 11 1 0 0 0 0 15 3 1 0 0 0 0 16 12 1 0 0 0 0 17 16 1 0 0 0 0 7 2 2 0 0 0 0 10 13 2 0 0 0 0 M END > (AF-399/41981345) AF-399/41981345 > (AF-399/41981345) 2600 $$$$ -ISIS- 02101918162D 15 17 0 0 0 0 0 0 0 0999 V2000 3.6917 -1.5750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6917 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -0.2542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -1.9875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 0.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -2.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 11 3 2 0 0 0 0 12 10 1 0 0 0 0 13 8 2 0 0 0 0 14 11 1 0 0 0 0 15 14 2 0 0 0 0 12 8 1 0 0 0 0 9 7 2 0 0 0 0 13 15 1 0 0 0 0 M END > (AF-399/42531577) AF-399/42531577 > (AF-399/42531577) 4500 $$$$ -ISIS- 02101918162D 26 27 0 0 0 0 0 0 0 0999 V2000 -0.0708 -11.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 -10.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -9.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -10.6042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3125 -10.8417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.4500 -11.4792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.0375 -10.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4375 -9.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -12.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2375 -11.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -11.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -9.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8125 -10.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -11.8917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8375 -11.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4250 -10.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 -11.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2125 -10.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 -10.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -12.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 -11.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6125 -11.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9125 -10.2667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2625 -12.2917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -9.4667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2083 -11.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 3 2 0 0 0 0 9 14 1 0 0 0 0 10 6 1 0 0 0 0 11 5 1 0 0 0 0 12 3 1 0 0 0 0 13 18 2 0 0 0 0 14 11 1 0 0 0 0 15 10 1 0 0 0 0 16 10 2 0 0 0 0 17 15 2 0 0 0 0 18 16 1 0 0 0 0 19 13 1 0 0 0 0 20 9 1 0 0 0 0 21 14 1 0 0 0 0 22 21 1 0 0 0 0 23 5 1 0 0 0 0 24 6 1 0 0 0 0 25 12 1 0 0 0 0 26 19 1 0 0 0 0 17 13 1 0 0 0 0 20 22 1 0 0 0 0 M END > (AF-399/42874518) AF-399/42874518 > (AF-399/42874518) 2000 > (AF-399/42874518) H2O $$$$ -ISIS- 02101918162D 25 27 0 0 0 0 0 0 0 0999 V2000 -2.5250 1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8083 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2375 1.2208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.0958 1.6375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8458 1.7875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -0.8625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -0.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 2.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 0.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3333 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -1.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 9 2 0 0 0 0 7 1 2 0 0 0 0 8 4 1 0 0 0 0 9 15 1 0 0 0 0 10 8 2 0 0 0 0 11 7 1 0 0 0 0 12 2 2 0 0 0 0 13 6 1 0 0 0 0 14 10 1 0 0 0 0 15 18 1 0 0 0 0 16 8 1 0 0 0 0 17 13 1 0 0 0 0 18 16 2 0 0 0 0 19 3 1 0 0 0 0 20 10 1 0 0 0 0 21 13 2 0 0 0 0 22 17 1 0 0 0 0 23 17 2 0 0 0 0 24 21 1 0 0 0 0 25 24 2 0 0 0 0 5 11 2 0 0 0 0 14 15 2 0 0 0 0 23 25 1 0 0 0 0 M END > (AM-13568) AM-13568 > (AM-13568) 1400 $$$$ -ISIS- 02101918162D 28 30 0 0 0 0 0 0 0 0999 V2000 5.3250 -8.0792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0417 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -8.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -7.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1750 -8.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -8.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -6.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 -6.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 -9.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -8.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -9.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -6.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -6.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -5.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -4.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -8.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -8.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3250 -3.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4792 -9.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -9.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -10.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1917 -8.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1917 -8.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -10.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 6 3 0 0 0 0 6 4 1 0 0 0 0 7 4 1 0 0 0 0 8 2 2 0 0 0 0 9 3 2 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 7 2 0 0 0 0 13 7 1 0 0 0 0 14 16 1 0 0 0 0 15 12 1 0 0 0 0 16 13 2 0 0 0 0 17 14 1 0 0 0 0 18 10 1 0 0 0 0 19 10 2 0 0 0 0 20 11 2 0 0 0 0 21 11 1 0 0 0 0 22 17 1 0 0 0 0 23 19 1 0 0 0 0 24 20 1 0 0 0 0 25 21 2 0 0 0 0 26 18 2 0 0 0 0 27 23 2 0 0 0 0 28 25 1 0 0 0 0 15 14 2 0 0 0 0 28 24 2 0 0 0 0 26 27 1 0 0 0 0 M END > (Amb22466608) Amb22466608 > (Amb22466608) 1015 $$$$ -ISIS- 02101918162D 10 10 0 0 0 0 0 0 0 0999 V2000 0.9042 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 -2.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 2.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 0.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1000 1.0500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 1 2 0 0 0 0 7 4 2 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 3 2 0 0 0 0 10 7 1 0 0 0 0 M END > (AMBB-00005272) AMBB-00005272 > (AMBB-00005272) 2300 $$$$ -ISIS- 02101918162D 11 11 0 0 0 0 0 0 0 0999 V2000 3.8417 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -1.2792 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -2.9625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5250 -0.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -0.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7917 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 3 1 0 0 0 0 10 4 2 0 0 0 0 11 9 1 0 0 0 0 8 10 1 0 0 0 0 M END > (BB-7) BB-7 > (BB-7) 900 > (BB-7) HCl $$$$ -ISIS- 02101918162D 18 20 0 0 0 0 0 0 0 0999 V2000 -0.4083 -0.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 1.9250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3083 -0.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 0.2458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6958 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5583 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5208 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9583 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 6 1 0 0 0 0 10 9 2 0 0 0 0 11 10 1 0 0 0 0 12 6 2 0 0 0 0 13 12 1 0 0 0 0 14 8 2 0 0 0 0 15 7 2 0 0 0 0 16 13 2 0 0 0 0 17 18 2 0 0 0 0 18 15 1 0 0 0 0 4 5 1 0 0 0 0 16 10 1 0 0 0 0 14 17 1 0 0 0 0 M END > (BB-7340) BB-7340 > (BB-7340) 1420 $$$$ -ISIS- 02101918162D 17 19 0 0 0 0 0 0 0 0999 V2000 -0.7083 -0.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 1.9458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 1.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0333 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7333 -0.6250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9708 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1083 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2583 1.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 0.2625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 6 1 0 0 0 0 9 6 2 0 0 0 0 10 8 1 0 0 0 0 11 7 1 0 0 0 0 12 9 1 0 0 0 0 13 11 2 0 0 0 0 14 13 1 0 0 0 0 15 7 2 0 0 0 0 16 15 1 0 0 0 0 17 16 2 0 0 0 0 5 4 1 0 0 0 0 12 10 2 0 0 0 0 13 17 1 0 0 0 0 M END > (BB-7350) BB-7350 > (BB-7350) 1290 $$$$ -ISIS- 02101918162D 14 15 0 0 0 0 0 0 0 0999 V2000 -5.2833 3.8083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9833 4.2167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5333 4.2167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.7167 3.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9833 5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5333 5.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2833 5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0583 3.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7000 4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7167 2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4417 4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1667 3.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4417 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1667 2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 6 1 0 0 0 0 8 3 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 4 2 0 0 0 0 12 11 1 0 0 0 0 13 10 2 0 0 0 0 14 12 2 0 0 0 0 7 5 1 0 0 0 0 13 14 1 0 0 0 0 M END > (BB-9942) BB-9942 > (BB-9942) 1600 > (BB-9942) HCl $$$$ -ISIS- 02101918162D 13 13 0 0 0 0 0 0 0 0999 V2000 6.1542 -5.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -6.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -6.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -5.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -6.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -5.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -5.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -7.6917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -4.3792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 -4.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -8.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7750 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 7 2 0 0 0 0 7 5 1 0 0 0 0 8 4 2 0 0 0 0 9 3 1 0 0 0 0 10 5 1 0 0 0 0 11 4 1 0 0 0 0 12 9 1 0 0 0 0 13 11 1 0 0 0 0 6 3 1 0 0 0 0 M END > (BBS-00000062) BBS-00000062 > (BBS-00000062) 15000 $$$$ -ISIS- 02101918162D 16 17 0 0 0 0 0 0 0 0999 V2000 5.4792 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -2.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -1.7250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -0.9167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2125 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 -4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2125 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -5.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -0.9167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 -0.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 -0.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -5.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 5 1 0 0 0 0 10 7 2 0 0 0 0 11 6 1 0 0 0 0 12 11 2 0 0 0 0 13 4 1 0 0 0 0 14 4 1 0 0 0 0 15 4 1 0 0 0 0 16 7 1 0 0 0 0 5 6 2 0 0 0 0 8 12 1 0 0 0 0 M END > (BBS-00000099) BBS-00000099 > (BBS-00000099) 3190 $$$$ -ISIS- 02101918162D 17 18 0 0 0 0 0 0 0 0999 V2000 6.1542 -6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8750 -4.7667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -3.5250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8750 -3.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -5.1792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -6.4167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -3.9417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8750 -6.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5917 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5917 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 3 1 0 0 0 0 8 7 2 0 0 0 0 9 1 1 0 0 0 0 10 3 1 0 0 0 0 11 4 1 0 0 0 0 12 8 1 0 0 0 0 13 7 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 11 1 0 0 0 0 17 13 2 0 0 0 0 10 14 1 0 0 0 0 12 15 2 0 0 0 0 M END > (BBS-00000112) BBS-00000112 > (BBS-00000112) 20000 $$$$ -ISIS- 02101918162D 14 14 0 0 0 0 0 0 0 0999 V2000 4.7667 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -3.5167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.1750 -4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 -2.5417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5667 -4.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -2.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3792 -4.9125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -3.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5917 -4.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -4.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 3 2 0 0 0 0 7 5 2 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 4 1 0 0 0 0 11 6 1 0 0 0 0 12 7 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 7 6 1 0 0 0 0 M CHG 2 2 1 8 -1 M END > (BBS-00000229) BBS-00000229 > (BBS-00000229) 1190 $$$$ -ISIS- 02101918162D 12 12 0 0 0 0 0 0 0 0999 V2000 -1.1708 -1.0250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.4750 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5583 -0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 -1.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 -1.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 0.5625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2125 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5083 -0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 2 1 0 0 0 0 8 11 1 0 0 0 0 9 8 1 0 0 0 0 10 6 1 0 0 0 0 11 7 2 0 0 0 0 12 5 1 0 0 0 0 8 10 2 0 0 0 0 M END > (BBS-00000283) BBS-00000283 > (BBS-00000283) 1000 $$$$ -ISIS- 02101918162D 20 21 0 0 0 0 0 0 0 0999 V2000 1.4042 -1.5250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.7542 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -0.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -1.3792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -1.7292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.7125 -2.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -0.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -0.7167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7375 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5875 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 7 1 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 8 2 0 0 0 0 7 13 2 0 0 0 0 8 5 1 0 0 0 0 9 1 1 0 0 0 0 10 1 2 0 0 0 0 11 1 2 0 0 0 0 12 5 2 0 0 0 0 13 12 1 0 0 0 0 14 2 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 17 15 2 0 0 0 0 18 16 2 0 0 0 0 19 9 1 0 0 0 0 20 9 1 0 0 0 0 7 6 1 0 0 0 0 3 2 2 0 0 0 0 M END > (BBS-00000316) BBS-00000316 > (BBS-00000316) 2000 $$$$ -ISIS- 02101918162D 10 10 0 0 0 0 0 0 0 0999 V2000 0.7625 -0.0917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.1917 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -0.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 0.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 8 10 1 0 0 0 0 M END > (BBS-00000322) BBS-00000322 > (BBS-00000322) 2500 > (BBS-00000322) HCl $$$$ -ISIS- 02101918162D 19 20 0 0 0 0 0 0 0 0999 V2000 5.1625 -4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -2.9542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.8750 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -1.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -4.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -2.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -5.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -5.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7375 -5.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 6 3 0 0 0 0 6 9 1 0 0 0 0 7 3 1 0 0 0 0 8 4 2 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 1 2 0 0 0 0 12 2 2 0 0 0 0 13 7 1 0 0 0 0 14 7 2 0 0 0 0 15 11 1 0 0 0 0 16 15 2 0 0 0 0 17 13 2 0 0 0 0 18 14 1 0 0 0 0 19 18 2 0 0 0 0 16 12 1 0 0 0 0 19 17 1 0 0 0 0 M END > (BBS-00000380) BBS-00000380 > (BBS-00000380) 1000 $$$$ -ISIS- 02101918162D 19 20 0 0 0 0 0 0 0 0999 V2000 5.2417 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -1.7667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -3.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 -2.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8042 -1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3875 -1.7542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -1.7625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6750 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -3.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5250 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5292 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8167 -4.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2375 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 9 1 0 0 0 0 8 1 1 0 0 0 0 9 8 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 6 2 0 0 0 0 13 3 1 0 0 0 0 14 10 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 10 1 0 0 0 0 18 11 1 0 0 0 0 19 12 1 0 0 0 0 14 13 2 0 0 0 0 15 11 2 0 0 0 0 M END > (BBS-00000424) BBS-00000424 > (BBS-00000424) 20000 $$$$ -ISIS- 02101918162D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.6208 1.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.9000 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 2.4208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 1.3125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 1.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 -2.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 3 1 0 0 0 0 8 3 2 0 0 0 0 9 5 1 0 0 0 0 10 5 2 0 0 0 0 11 12 2 0 0 0 0 12 10 1 0 0 0 0 13 9 2 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 4 7 1 0 0 0 0 13 11 1 0 0 0 0 M END > (BBS-00000676) BBS-00000676 > (BBS-00000676) 1000 $$$$ -ISIS- 02101918162D 12 13 0 0 0 0 0 0 0 0999 V2000 0.0042 0.5333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 -0.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 0.6958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0667 -1.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 1.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1125 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 2 0 0 0 0 7 3 2 0 0 0 0 8 5 1 0 0 0 0 9 5 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 5 4 1 0 0 0 0 10 12 1 0 0 0 0 M END > (BBS-00000777) BBS-00000777 > (BBS-00000777) 21000 $$$$ -ISIS- 02101918162D 10 10 0 0 0 0 0 0 0 0999 V2000 -1.5708 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 1.7000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.5708 1.7000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 1 1 0 0 0 0 10 2 1 0 0 0 0 4 2 1 0 0 0 0 M END > (BBS-00000840) BBS-00000840 > (BBS-00000840) 5000 $$$$ -ISIS- 02101918162D 12 12 0 0 0 0 0 0 0 0999 V2000 -1.1000 1.1500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.1000 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 1.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 2.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 1.1500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 3 2 0 0 0 0 9 6 1 0 0 0 0 10 9 2 0 0 0 0 11 3 1 0 0 0 0 12 10 1 0 0 0 0 10 8 1 0 0 0 0 M END > (BBS-00000860) BBS-00000860 > (BBS-00000860) 1000 $$$$ -ISIS- 02101918162D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.8958 -7.3042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.6375 -8.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -6.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -8.0917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6833 -7.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4083 -4.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 -7.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 -8.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 -5.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 -6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 -6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9583 -3.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 -4.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1875 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8083 -5.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6333 -5.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 10 1 0 0 0 0 8 3 1 0 0 0 0 9 2 2 0 0 0 0 10 12 2 0 0 0 0 11 3 2 0 0 0 0 12 6 1 0 0 0 0 13 5 2 0 0 0 0 14 5 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 4 8 1 0 0 0 0 15 7 2 0 0 0 0 M END > (BBS-00000966) BBS-00000966 > (BBS-00000966) 1000 $$$$ -ISIS- 02101918162D 12 12 0 0 0 0 0 0 0 0999 V2000 -1.0750 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -0.4792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8958 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3083 0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1333 0.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 -1.1375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -1.2792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -0.6167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 6 2 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 6 1 0 0 0 0 7 5 1 0 0 0 0 M END > (BBS-00000991) BBS-00000991 > (BBS-00000991) 1000 $$$$ -ISIS- 02101918162D 15 15 0 0 0 0 0 0 0 0999 V2000 5.4500 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -2.3542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0167 -1.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -1.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1625 -2.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8750 -1.9417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3042 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -3.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 11 1 0 0 0 0 13 9 1 0 0 0 0 14 10 2 0 0 0 0 15 14 1 0 0 0 0 15 13 2 0 0 0 0 M END > (BBS-00001058) BBS-00001058 > (BBS-00001058) 1120 $$$$ -ISIS- 02101918162D 9 9 0 0 0 0 0 0 0 0999 V2000 3.0292 -4.5375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.7042 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -3.2667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.6292 -3.2667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5292 -5.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -5.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -2.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -2.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 4 5 1 0 0 0 0 M END > (BBS-00001076) BBS-00001076 > (BBS-00001076) 1000 > (BBS-00001076) 2HCl $$$$ -ISIS- 02101918162D 19 20 0 0 0 0 0 0 0 0999 V2000 3.3292 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -1.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 5 2 0 0 0 0 7 6 1 0 0 0 0 8 4 2 0 0 0 0 9 1 2 0 0 0 0 10 3 2 0 0 0 0 11 5 1 0 0 0 0 12 13 1 0 0 0 0 13 11 2 0 0 0 0 14 4 1 0 0 0 0 15 7 2 0 0 0 0 16 12 2 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 19 16 1 0 0 0 0 12 7 1 0 0 0 0 19 18 2 0 0 0 0 M END > (BBS-00001165) BBS-00001165 > (BBS-00001165) 1302 $$$$ -ISIS- 02101918162D 19 19 0 0 0 0 0 0 0 0999 V2000 3.3292 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -1.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -0.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -2.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 5 2 0 0 0 0 7 6 1 0 0 0 0 8 13 1 0 0 0 0 9 4 2 0 0 0 0 10 1 2 0 0 0 0 11 3 2 0 0 0 0 12 5 1 0 0 0 0 13 12 2 0 0 0 0 14 4 1 0 0 0 0 15 7 1 0 0 0 0 16 8 1 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 19 16 1 0 0 0 0 8 7 2 0 0 0 0 M END > (BBS-00001171) BBS-00001171 > (BBS-00001171) 4070 $$$$ -ISIS- 02101918162D 18 18 0 0 0 0 0 0 0 0999 V2000 3.3292 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -1.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -0.6417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9583 -2.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 7 1 0 0 0 0 7 5 2 0 0 0 0 8 13 1 0 0 0 0 9 4 2 0 0 0 0 10 1 2 0 0 0 0 11 3 2 0 0 0 0 12 5 1 0 0 0 0 13 12 2 0 0 0 0 14 6 1 0 0 0 0 15 4 1 0 0 0 0 16 8 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 8 6 2 0 0 0 0 M END > (BBS-00001175) BBS-00001175 > (BBS-00001175) 4500 $$$$ -ISIS- 02101918162D 21 22 0 0 0 0 0 0 0 0999 V2000 1.1875 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -2.1417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.1917 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -1.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -1.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9083 -3.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 2 1 0 0 0 0 11 6 2 0 0 0 0 12 9 2 0 0 0 0 13 8 2 0 0 0 0 14 3 1 0 0 0 0 15 9 1 0 0 0 0 16 10 2 0 0 0 0 17 10 1 0 0 0 0 18 15 1 0 0 0 0 19 17 2 0 0 0 0 20 16 1 0 0 0 0 21 19 1 0 0 0 0 2 4 1 0 0 0 0 21 20 2 0 0 0 0 M END > (BBS-00001180) BBS-00001180 > (BBS-00001180) 4190 $$$$ -ISIS- 02101918162D 13 14 0 0 0 0 0 0 0 0999 V2000 3.3667 -0.7292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -0.9542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3125 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7917 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 4 1 0 0 0 0 9 7 1 0 0 0 0 10 6 1 0 0 0 0 11 10 2 0 0 0 0 12 11 1 0 0 0 0 13 9 1 0 0 0 0 3 5 1 0 0 0 0 9 12 2 0 0 0 0 M END > (BBS-00001184) BBS-00001184 > (BBS-00001184) 4000 $$$$ -ISIS- 02101918162D 12 12 0 0 0 0 0 0 0 0999 V2000 2.2667 -1.3417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.9917 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -2.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -2.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 -0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8750 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0125 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -0.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 -2.9167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -1.2667 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 9 2 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 2 1 0 0 0 0 10 1 1 0 0 0 0 11 5 1 0 0 0 0 12 6 1 0 0 0 0 5 6 2 0 0 0 0 M END > (BBS-00001321) BBS-00001321 > (BBS-00001321) 20000 $$$$ -ISIS- 02101918162D 15 16 0 0 0 0 0 0 0 0999 V2000 4.4167 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -3.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -2.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -1.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5625 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -2.0417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1542 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 4 2 0 0 0 0 7 6 1 0 0 0 0 8 6 1 0 0 0 0 9 5 2 0 0 0 0 10 7 1 0 0 0 0 11 8 2 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 11 1 0 0 0 0 15 3 1 0 0 0 0 7 2 2 0 0 0 0 10 13 2 0 0 0 0 M END > (BBS-00001334) BBS-00001334 > (BBS-00001334) 25150 $$$$ -ISIS- 02101918162D 17 18 0 0 0 0 0 0 0 0999 V2000 4.4167 -2.4750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6917 -2.0625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4292 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8500 -2.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -1.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 -0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 3 2 0 0 0 0 8 4 1 0 0 0 0 9 7 1 0 0 0 0 10 6 2 0 0 0 0 11 8 2 0 0 0 0 12 8 1 0 0 0 0 13 5 2 0 0 0 0 14 6 1 0 0 0 0 15 9 2 0 0 0 0 16 13 1 0 0 0 0 17 15 1 0 0 0 0 9 5 1 0 0 0 0 17 16 2 0 0 0 0 M END > (BBS-00001342) BBS-00001342 > (BBS-00001342) 11100 $$$$ -ISIS- 02101918162D 10 10 0 0 0 0 0 0 0 0999 V2000 1.6917 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -2.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -0.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2625 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -1.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -1.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 1 2 0 0 0 0 7 4 2 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 3 2 0 0 0 0 7 10 1 0 0 0 0 M END > (BBS-00001362) BBS-00001362 > (BBS-00001362) 2270 $$$$ -ISIS- 02101918162D 17 19 0 0 0 0 0 0 0 0999 V2000 2.4375 -0.9500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7167 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -1.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 1.1083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 1.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 12 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 2 2 0 0 0 0 10 7 1 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 13 6 2 0 0 0 0 14 8 2 0 0 0 0 15 8 1 0 0 0 0 16 9 1 0 0 0 0 17 16 2 0 0 0 0 10 6 1 0 0 0 0 5 11 2 0 0 0 0 13 17 1 0 0 0 0 M END > (BBS-00001366) BBS-00001366 > (BBS-00001366) 20000 $$$$ -ISIS- 02101918162D 17 19 0 0 0 0 0 0 0 0999 V2000 2.8375 -1.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1167 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -2.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 0.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -0.4292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4042 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9750 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 11 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 2 2 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 12 7 1 0 0 0 0 13 6 2 0 0 0 0 14 8 1 0 0 0 0 15 8 1 0 0 0 0 16 9 1 0 0 0 0 17 16 2 0 0 0 0 6 12 1 0 0 0 0 10 4 1 0 0 0 0 17 13 1 0 0 0 0 M END > (BBS-00001370) BBS-00001370 > (BBS-00001370) 16000 $$$$ -ISIS- 02101918162D 13 13 0 0 0 0 0 0 0 0999 V2000 -0.8208 2.7958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -0.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -1.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 3 0 0 0 0 3 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 6 2 1 0 0 0 0 7 8 2 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 10 1 0 0 0 0 12 9 1 0 0 0 0 13 11 1 0 0 0 0 4 3 2 0 0 0 0 M END > (BBS-00001424) BBS-00001424 > (BBS-00001424) 50000 $$$$ -ISIS- 02101918162D 11 12 0 0 0 0 0 0 0 0999 V2000 -0.4875 1.0208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5875 0.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 1.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2375 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6583 2.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 -1.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 5 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 6 2 0 0 0 0 9 8 1 0 0 0 0 10 4 1 0 0 0 0 11 10 1 0 0 0 0 3 2 1 0 0 0 0 9 7 2 0 0 0 0 M END > (BBS-00001458) BBS-00001458 > (BBS-00001458) 50000 > (BBS-00001458) 2HCl $$$$ -ISIS- 02101918162D 13 14 0 0 0 0 0 0 0 0999 V2000 -0.9000 -0.3500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0167 -0.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 1.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 6 2 0 0 0 0 10 9 1 0 0 0 0 11 8 2 0 0 0 0 12 5 1 0 0 0 0 13 12 1 0 0 0 0 3 2 1 0 0 0 0 7 10 2 0 0 0 0 M END > (BBS-00001808) BBS-00001808 > (BBS-00001808) 2550 $$$$ -ISIS- 02101918162D 18 20 0 0 0 0 0 0 0 0999 V2000 3.4500 -0.5917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.7625 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -0.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -0.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 0.5958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 1.7958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 1 1 0 0 0 0 7 2 2 0 0 0 0 8 4 2 0 0 0 0 9 11 2 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 10 2 0 0 0 0 13 6 2 0 0 0 0 14 15 2 0 0 0 0 15 13 1 0 0 0 0 16 8 1 0 0 0 0 17 12 1 0 0 0 0 18 14 1 0 0 0 0 5 4 1 0 0 0 0 14 12 1 0 0 0 0 8 9 1 0 0 0 0 M END > (BBS-00002137) BBS-00002137 > (BBS-00002137) 1114 $$$$ -ISIS- 02101918162D 7 7 0 0 0 0 0 0 0 0999 V2000 2.5542 -0.3750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 0.8958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -1.0417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 2 0 0 0 0 7 3 1 0 0 0 0 7 4 1 0 0 0 0 M END > (BBS-00002183) BBS-00002183 > (BBS-00002183) 1142 $$$$ -ISIS- 02101918162D 12 12 0 0 0 0 0 0 0 0999 V2000 6.6375 -4.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8917 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2250 -3.1417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5625 -3.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7792 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -3.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -5.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -2.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -2.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 3 2 0 0 0 0 10 7 2 0 0 0 0 11 7 1 0 0 0 0 12 11 1 0 0 0 0 4 5 1 0 0 0 0 M END > (BBS-00002212) BBS-00002212 > (BBS-00002212) 3000 $$$$ -ISIS- 02101918162D 19 21 0 0 0 0 0 0 0 0999 V2000 0.7250 -0.2167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.5167 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 -0.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -2.7292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3125 1.0583 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 0.8250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -0.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -0.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 2 2 0 0 0 0 9 8 1 0 0 0 0 10 3 1 0 0 0 0 11 6 2 0 0 0 0 12 7 1 0 0 0 0 13 3 2 0 0 0 0 14 4 2 0 0 0 0 15 7 2 0 0 0 0 16 6 1 0 0 0 0 17 11 1 0 0 0 0 18 16 1 0 0 0 0 19 18 1 0 0 0 0 12 10 1 0 0 0 0 11 9 1 0 0 0 0 19 17 1 0 0 0 0 M END > (BBS-00002262) BBS-00002262 > (BBS-00002262) 1050 $$$$ -ISIS- 02101918162D 16 17 0 0 0 0 0 0 0 0999 V2000 2.1292 -1.4042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3792 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -1.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -0.1292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -0.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1417 -1.7542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8042 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -2.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -2.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 8 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 9 1 0 0 0 0 9 1 1 0 0 0 0 10 3 1 0 0 0 0 11 4 1 0 0 0 0 12 2 2 0 0 0 0 13 7 1 0 0 0 0 14 4 2 0 0 0 0 15 10 1 0 0 0 0 16 8 2 0 0 0 0 11 6 1 0 0 0 0 13 15 2 0 0 0 0 M END > (BBS-00002280) BBS-00002280 > (BBS-00002280) 1000 $$$$ -ISIS- 02101918162D 14 15 0 0 0 0 0 0 0 0999 V2000 5.1875 0.0625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4417 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 1.3333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4875 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 1.1083 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -0.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9750 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3292 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7917 -1.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -1.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 2 2 0 0 0 0 8 4 1 0 0 0 0 9 4 2 0 0 0 0 10 6 2 0 0 0 0 11 3 2 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 14 13 2 0 0 0 0 8 5 1 0 0 0 0 14 10 1 0 0 0 0 M END > (BBS-00002455) BBS-00002455 > (BBS-00002455) 1000 $$$$ -ISIS- 02101918162D 18 19 0 0 0 0 0 0 0 0999 V2000 6.8250 -5.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -4.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 -4.2042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7500 -4.6917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9667 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -3.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 -4.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -6.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -3.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -2.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9375 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6417 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 2 2 0 0 0 0 11 3 2 0 0 0 0 12 7 2 0 0 0 0 13 9 1 0 0 0 0 14 13 1 0 0 0 0 15 9 2 0 0 0 0 16 13 2 0 0 0 0 17 15 1 0 0 0 0 18 17 2 0 0 0 0 5 4 1 0 0 0 0 18 16 1 0 0 0 0 M END > (BBS-00002470) BBS-00002470 > (BBS-00002470) 2000 $$$$ -ISIS- 02101918162D 16 16 0 0 0 0 0 0 0 0999 V2000 3.4000 -1.2667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6542 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -1.9292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9875 0.0083 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -2.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -0.2167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 -1.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 -3.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3417 -1.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -2.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 -3.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 2 2 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 14 1 0 0 0 0 11 3 2 0 0 0 0 12 6 2 0 0 0 0 13 10 2 0 0 0 0 14 9 1 0 0 0 0 15 6 1 0 0 0 0 16 10 1 0 0 0 0 8 5 1 0 0 0 0 M END > (BBS-00002484) BBS-00002484 > (BBS-00002484) 1000 $$$$ -ISIS- 02101918162D 16 17 0 0 0 0 0 0 0 0999 V2000 3.3917 -1.3500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.1375 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7250 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 -2.1375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -2.8042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -0.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1250 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 -0.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9250 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 3 1 0 0 0 0 8 3 2 0 0 0 0 9 5 2 0 0 0 0 10 5 1 0 0 0 0 11 12 1 0 0 0 0 12 10 2 0 0 0 0 13 9 1 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 7 4 1 0 0 0 0 13 11 2 0 0 0 0 M END > (BBS-00002488) BBS-00002488 > (BBS-00002488) 969 $$$$ -ISIS- 02101918162D 18 20 0 0 0 0 0 0 0 0999 V2000 1.9875 -0.9667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.7000 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -0.1417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 1.2708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -2.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -1.1917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 1.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 -1.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 5 1 0 0 0 0 10 8 2 0 0 0 0 11 7 1 0 0 0 0 12 5 2 0 0 0 0 13 4 2 0 0 0 0 14 7 2 0 0 0 0 15 8 1 0 0 0 0 16 10 1 0 0 0 0 17 15 2 0 0 0 0 18 17 1 0 0 0 0 11 9 1 0 0 0 0 10 6 1 0 0 0 0 18 16 2 0 0 0 0 M END > (BBS-00002492) BBS-00002492 > (BBS-00002492) 1150 $$$$ -ISIS- 02101918162D 18 19 0 0 0 0 0 0 0 0999 V2000 2.3167 -0.1375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7500 -0.9625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1792 -2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -2.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -0.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 4 6 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 1 1 0 0 0 0 10 9 1 0 0 0 0 11 8 1 0 0 0 0 12 3 1 0 0 0 0 13 7 1 0 0 0 0 14 13 1 0 0 0 0 15 13 2 0 0 0 0 16 14 2 0 0 0 0 17 15 1 0 0 0 0 18 17 2 0 0 0 0 2 11 1 0 0 0 0 16 18 1 0 0 0 0 M END > (BBS-00002504) BBS-00002504 > (BBS-00002504) 3000 > (BBS-00002504) 2HCl $$$$ -ISIS- 02101918162D 16 17 0 0 0 0 0 0 0 0999 V2000 3.4667 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -1.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 -2.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -2.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -1.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 0.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 7 2 0 0 0 0 9 6 2 0 0 0 0 10 6 1 0 0 0 0 11 8 1 0 0 0 0 12 7 1 0 0 0 0 13 8 1 0 0 0 0 14 11 1 0 0 0 0 15 12 2 0 0 0 0 16 15 1 0 0 0 0 3 4 2 0 0 0 0 13 16 2 0 0 0 0 M END > (BBS-00002506) BBS-00002506 > (BBS-00002506) 2000 $$$$ -ISIS- 02101918162D 10 10 0 0 0 0 0 0 0 0999 V2000 3.2125 -0.8000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.5000 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -1.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2125 0.8583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 10 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 5 9 1 0 0 0 0 M END > (BBS-00002525) BBS-00002525 > (BBS-00002525) 2500 > (BBS-00002525) HCl $$$$ -ISIS- 02101918162D 22 23 0 0 0 0 0 0 0 0999 V2000 1.4792 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -0.3500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.3917 0.1333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 2.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 1.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 2.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 2.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 2.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3417 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 9 8 1 0 0 0 0 10 2 1 0 0 0 0 11 6 2 0 0 0 0 12 9 2 0 0 0 0 13 8 2 0 0 0 0 14 4 1 0 0 0 0 15 9 1 0 0 0 0 16 5 1 0 0 0 0 17 10 2 0 0 0 0 18 10 1 0 0 0 0 19 15 1 0 0 0 0 20 17 1 0 0 0 0 21 18 2 0 0 0 0 22 21 1 0 0 0 0 2 3 1 0 0 0 0 22 20 2 0 0 0 0 M END > (BBS-00002533) BBS-00002533 > (BBS-00002533) 4140 $$$$ -ISIS- 02101918162D 16 17 0 0 0 0 0 0 0 0999 V2000 5.4542 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -5.3167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0375 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -5.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -5.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -2.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8375 -3.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -4.1917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8542 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 6 2 0 0 0 0 11 6 1 0 0 0 0 12 7 1 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 5 4 1 0 0 0 0 13 9 1 0 0 0 0 M END > (BBS-00002581) BBS-00002581 > (BBS-00002581) 1375 $$$$ -ISIS- 02101918162D 23 25 0 0 0 0 0 0 0 0999 V2000 0.2917 0.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.2917 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 1.2083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0083 -1.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6208 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 2.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6333 2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -2.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 3.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3583 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9333 3.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -3.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9375 4.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 2 2 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 5 9 2 3 0 0 0 10 5 1 0 0 0 0 11 4 2 0 0 0 0 12 10 1 0 0 0 0 13 6 1 0 0 0 0 14 12 2 0 0 0 0 15 8 1 0 0 0 0 16 9 1 0 0 0 0 17 12 1 0 0 0 0 18 13 2 0 0 0 0 19 13 1 0 0 0 0 20 17 1 0 0 0 0 21 19 2 0 0 0 0 22 18 1 0 0 0 0 23 21 1 0 0 0 0 6 8 1 0 0 0 0 9 7 1 0 0 0 0 22 23 2 0 0 0 0 M END > (BBS-00002652) BBS-00002652 > (BBS-00002652) 1000 $$$$ -ISIS- 02101918162D 10 10 0 0 0 0 0 0 0 0999 V2000 1.0417 -0.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 1.0958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 1.0958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6625 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -1.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 -0.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -1.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 7 2 0 0 0 0 9 3 1 0 0 0 0 10 7 1 0 0 0 0 5 4 1 0 0 0 0 M END > (BBS-00002655) BBS-00002655 > (BBS-00002655) 5000 $$$$ -ISIS- 02101918162D 13 14 0 0 0 0 0 0 0 0999 V2000 3.5375 -0.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -2.6417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 -2.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8250 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -0.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 2 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 2 2 0 0 0 0 8 4 1 0 0 0 0 9 8 1 0 0 0 0 10 8 2 0 0 0 0 11 10 1 0 0 0 0 12 9 2 0 0 0 0 13 11 2 0 0 0 0 5 3 1 0 0 0 0 13 12 1 0 0 0 0 M END > (BBS-00002667) BBS-00002667 > (BBS-00002667) 2000 $$$$ -ISIS- 02101918162D 17 17 0 0 0 0 0 0 0 0999 V2000 6.3292 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -4.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -5.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -5.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 -1.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3375 -3.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -2.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -5.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7625 -3.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -5.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -6.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 7 6 2 0 0 0 0 8 13 2 0 0 0 0 9 4 2 0 0 0 0 10 1 2 0 0 0 0 11 3 2 0 0 0 0 12 5 2 0 0 0 0 13 12 1 0 0 0 0 14 4 1 0 0 0 0 15 7 1 0 0 0 0 16 8 1 0 0 0 0 17 14 1 0 0 0 0 7 8 1 0 0 0 0 M END > (BBS-00002679) BBS-00002679 > (BBS-00002679) 1000 $$$$ -ISIS- 02101918162D 15 16 0 0 0 0 0 0 0 0999 V2000 6.8125 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -3.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -4.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 -5.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -3.5500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.4917 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0375 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -5.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1750 -4.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -4.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8917 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 1 1 0 0 0 0 9 6 2 0 0 0 0 10 7 1 0 0 0 0 11 9 1 0 0 0 0 12 8 2 0 0 0 0 13 8 1 0 0 0 0 14 7 1 0 0 0 0 15 13 1 0 0 0 0 2 4 2 0 0 0 0 11 10 2 0 0 0 0 M END > (BBS-00002707) BBS-00002707 > (BBS-00002707) 5000 $$$$ -ISIS- 02101918162D 16 17 0 0 0 0 0 0 0 0999 V2000 4.2292 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8917 -2.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 -2.6125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6625 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -3.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -1.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 -0.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 6 2 0 0 0 0 9 7 1 0 0 0 0 10 6 1 0 0 0 0 11 9 2 0 0 0 0 12 11 1 0 0 0 0 13 7 2 0 0 0 0 14 13 1 0 0 0 0 15 14 2 0 0 0 0 16 12 1 0 0 0 0 5 3 2 0 0 0 0 15 11 1 0 0 0 0 M END > (BBS-00002708) BBS-00002708 > (BBS-00002708) 2000 $$$$ -ISIS- 02101918162D 16 17 0 0 0 0 0 0 0 0999 V2000 7.6042 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -4.8917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 -5.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -4.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 -6.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9292 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9667 -4.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.8167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.6875 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 6 2 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 6 1 0 0 0 0 12 13 1 0 0 0 0 13 10 2 0 0 0 0 14 9 1 0 0 0 0 15 12 1 0 0 0 0 16 11 1 0 0 0 0 5 3 2 0 0 0 0 14 12 2 0 0 0 0 M END > (BBS-00002709) BBS-00002709 > (BBS-00002709) 1000 $$$$ -ISIS- 02101918162D 14 15 0 0 0 0 0 0 0 0999 V2000 6.4667 -4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -3.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -4.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 -5.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -3.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -3.5500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1500 -5.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8292 -4.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5417 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 6 2 0 0 0 0 10 8 1 0 0 0 0 11 7 2 0 0 0 0 12 9 1 0 0 0 0 13 7 1 0 0 0 0 14 13 1 0 0 0 0 3 4 2 0 0 0 0 12 10 2 0 0 0 0 M END > (BBS-00002712) BBS-00002712 > (BBS-00002712) 1000 $$$$ -ISIS- 02101918162D 18 19 0 0 0 0 0 0 0 0999 V2000 -3.9125 1.5000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -2.6125 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9125 3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2167 3.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2167 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9542 0.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9583 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -1.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2500 5.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 5.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 2 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 15 2 0 0 0 0 11 4 1 0 0 0 0 12 10 1 0 0 0 0 13 2 2 0 0 0 0 14 7 2 0 0 0 0 15 13 1 0 0 0 0 16 7 1 0 0 0 0 17 11 1 0 0 0 0 18 12 1 0 0 0 0 4 10 1 0 0 0 0 18 17 1 0 0 0 0 M END > (BBS-00002835) BBS-00002835 > (BBS-00002835) 1100 $$$$ -ISIS- 02101918162D 16 16 0 0 0 0 0 0 0 0999 V2000 0.4042 -0.6375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -0.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9792 -0.2167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1167 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8375 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 6 1 0 0 0 0 8 3 1 0 0 0 0 9 7 1 0 0 0 0 10 7 1 0 0 0 0 11 12 1 0 0 0 0 12 10 1 0 0 0 0 13 5 2 0 0 0 0 14 9 1 0 0 0 0 15 11 1 0 0 0 0 16 13 1 0 0 0 0 16 8 2 0 0 0 0 M END > (BBS-00002855) BBS-00002855 > (BBS-00002855) 8580 $$$$ -ISIS- 02101918162D 14 14 0 0 0 0 0 0 0 0999 V2000 2.1125 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 0.7625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.8250 1.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 1.5875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1125 2.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -0.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 2.0083 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1042 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 11 1 0 0 0 0 7 2 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 4 1 0 0 0 0 13 9 1 0 0 0 0 14 9 1 0 0 0 0 10 6 1 0 0 0 0 M END > (BBS-00002880) BBS-00002880 > (BBS-00002880) 1400 $$$$ -ISIS- 02101918162D 6 6 0 0 0 0 0 0 0 0999 V2000 14.6750 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6792 2.6583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2542 1.8333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9667 1.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2542 2.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3875 1.4208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 5 3 2 0 0 0 0 M END > (BBS-00002897) BBS-00002897 > (BBS-00002897) 2000 $$$$ -ISIS- 02101918162D 10 11 0 0 0 0 0 0 0 0999 V2000 1.0917 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -0.1917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 0.2250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 -1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -1.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 -0.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 1.0458 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 9 1 0 0 0 0 8 4 1 0 0 0 0 9 6 2 0 0 0 0 10 6 1 0 0 0 0 7 8 2 0 0 0 0 5 2 1 0 0 0 0 M END > (BBS-00002903) BBS-00002903 > (BBS-00002903) 5000 $$$$ -ISIS- 02101918162D 14 15 0 0 0 0 0 0 0 0999 V2000 1.7917 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 0.3583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -0.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -1.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 2.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 2.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3583 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 6 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 5 2 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 3 2 0 0 0 0 12 6 2 0 0 0 0 13 11 1 0 0 0 0 14 13 2 0 0 0 0 5 4 1 0 0 0 0 14 12 1 0 0 0 0 M END > (BBS-00002906) BBS-00002906 > (BBS-00002906) 5400 $$$$ -ISIS- 02101918162D 14 14 0 0 0 0 0 0 0 0999 V2000 1.2875 -1.1250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.9292 -1.1292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0500 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7750 -0.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 -1.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -2.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 0.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 4 2 0 0 0 0 9 1 1 0 0 0 0 10 11 1 0 0 0 0 11 1 1 0 0 0 0 12 9 1 0 0 0 0 13 4 1 0 0 0 0 14 3 1 0 0 0 0 12 2 1 0 0 0 0 M END > (BBS-00003049) BBS-00003049 > (BBS-00003049) 11000 > (BBS-00003049) 2HCl $$$$ -ISIS- 02101918162D 16 15 0 0 0 0 0 0 0 0999 V2000 4.5708 -7.4000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.0833 -7.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3708 -7.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -6.3708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8625 -6.9917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1583 -6.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9833 -7.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3708 -8.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 -7.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0708 -5.5500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3708 -5.9625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 -5.9500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7958 -8.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -8.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5083 -8.8500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -5.6667 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 3 2 0 0 0 0 9 2 2 0 0 0 0 10 4 1 0 0 0 0 11 4 1 0 0 0 0 12 4 1 0 0 0 0 13 14 2 0 0 0 0 14 8 1 0 0 0 0 15 13 1 0 0 0 0 13 9 1 0 0 0 0 M CHG 2 5 -1 16 1 M END > (BBS-00003083) BBS-00003083 > (BBS-00003083) 1000 > (BBS-00003083) K+ $$$$ -ISIS- 02101918162D 12 12 0 0 0 0 0 0 0 0999 V2000 5.8167 -3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -3.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -2.5625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -4.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 -2.1417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.2417 -3.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -3.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 5 2 0 0 0 0 8 4 2 0 0 0 0 9 5 1 0 0 0 0 10 4 1 0 0 0 0 11 3 1 0 0 0 0 12 11 1 0 0 0 0 6 3 2 0 0 0 0 M END > (BBS-00003098) BBS-00003098 > (BBS-00003098) 940 $$$$ -ISIS- 02101918162D 13 13 0 0 0 0 0 0 0 0999 V2000 -3.3583 -2.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3833 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 -2.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1083 -1.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 -4.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 -1.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0625 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 -4.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 -2.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0458 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3208 -4.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 2 2 0 0 0 0 7 5 2 0 0 0 0 8 2 1 0 0 0 0 9 1 2 0 0 0 0 10 3 2 0 0 0 0 11 5 1 0 0 0 0 12 9 1 0 0 0 0 13 12 2 0 0 0 0 10 13 1 0 0 0 0 M END > (BBS-00003798) BBS-00003798 > (BBS-00003798) 975 $$$$ -ISIS- 02101918162D 10 10 0 0 0 0 0 0 0 0999 V2000 3.0875 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -4.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -4.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -6.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 -6.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -6.9750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 -5.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 2 2 0 0 0 0 8 5 1 0 0 0 0 9 3 2 0 0 0 0 10 6 2 0 0 0 0 9 10 1 0 0 0 0 M END > (BBS-00004101) BBS-00004101 > (BBS-00004101) 9900 $$$$ -ISIS- 02101918162D 13 14 0 0 0 0 0 0 0 0999 V2000 3.5292 -8.7667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1792 -8.7542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.9417 -8.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -9.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -9.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -8.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -8.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -8.7417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2917 -9.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -8.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -8.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -9.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -8.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 10 2 0 0 0 0 12 9 1 0 0 0 0 13 11 1 0 0 0 0 6 2 1 0 0 0 0 12 13 2 0 0 0 0 M END > (BBS-00004111) BBS-00004111 > (BBS-00004111) 1000 $$$$ -ISIS- 02101918162D 11 11 0 0 0 0 0 0 0 0999 V2000 14.1167 -18.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6250 -18.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3292 -19.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4042 -17.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3792 -18.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6750 -17.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1542 -17.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0667 -19.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8167 -19.8500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4542 -16.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0417 -20.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 5 2 0 0 0 0 8 3 2 0 0 0 0 9 3 1 0 0 0 0 10 6 2 0 0 0 0 11 9 1 0 0 0 0 6 4 1 0 0 0 0 M END > (BBS-00004148) BBS-00004148 > (BBS-00004148) 1000 $$$$ -ISIS- 02101918162D 4 3 0 0 0 0 0 0 0 0999 V2000 -0.7958 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -0.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 1.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5083 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 M END > (BBS-00004306) BBS-00004306 > (BBS-00004306) 11500 > (BBS-00004306) HCl $$$$ -ISIS- 02101918162D 15 16 0 0 0 0 0 0 0 0999 V2000 5.9417 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -4.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2750 -4.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8625 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7250 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9167 -5.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 -3.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 10 8 2 0 0 0 0 11 8 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 11 2 0 0 0 0 15 14 1 0 0 0 0 5 3 2 0 0 0 0 13 15 2 0 0 0 0 M END > (BBS-00004501) BBS-00004501 > (BBS-00004501) 1127 $$$$ -ISIS- 02101918162D 12 13 0 0 0 0 0 0 0 0999 V2000 2.7750 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -1.1250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -1.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 1.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 0.3250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 0.9125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 2 0 0 0 0 7 5 2 0 0 0 0 8 5 1 0 0 0 0 9 3 1 0 0 0 0 10 8 1 0 0 0 0 11 6 1 0 0 0 0 12 9 1 0 0 0 0 4 6 1 0 0 0 0 11 12 1 0 0 0 0 M END > (BBS-00004526) BBS-00004526 > (BBS-00004526) 8300 $$$$ -ISIS- 02101918162D 13 14 0 0 0 0 0 0 0 0999 V2000 6.1542 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4125 -4.4750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3750 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -3.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -4.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -3.6917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -3.9167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 -3.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -5.1417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7167 -5.1417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 3 2 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 2 1 0 0 0 0 12 5 1 0 0 0 0 13 10 1 0 0 0 0 5 6 2 0 0 0 0 10 9 2 0 0 0 0 M END > (BBS-00004562) BBS-00004562 > (BBS-00004562) 1500 $$$$ -ISIS- 02101918162D 16 17 0 0 0 0 0 0 0 0999 V2000 4.9875 -2.5292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.6542 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -4.0917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 -1.7250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5417 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -3.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -2.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -2.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -0.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -5.6042 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.8625 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7500 -0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 2 2 0 0 0 0 7 6 1 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 15 1 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 4 1 0 0 0 0 14 13 1 0 0 0 0 15 11 1 0 0 0 0 16 14 1 0 0 0 0 7 5 2 0 0 0 0 10 16 1 0 0 0 0 M END > (BBS-00004573) BBS-00004573 > (BBS-00004573) 1000 > (BBS-00004573) HCl $$$$ -ISIS- 02101918162D 15 16 0 0 0 0 0 0 0 0999 V2000 3.9500 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -2.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -3.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 0.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 6 2 0 0 0 0 10 6 1 0 0 0 0 11 5 1 0 0 0 0 12 8 2 0 0 0 0 13 7 2 0 0 0 0 14 15 2 0 0 0 0 15 13 1 0 0 0 0 4 3 1 0 0 0 0 12 14 1 0 0 0 0 M END > (BBS-00004595) BBS-00004595 > (BBS-00004595) 1180 $$$$ -ISIS- 02101918162D 16 17 0 0 0 0 0 0 0 0999 V2000 2.9125 0.3458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 -0.4792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.1917 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -1.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 2.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 2.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 7 1 0 0 0 0 9 4 2 0 0 0 0 10 5 2 0 0 0 0 11 5 1 0 0 0 0 12 6 2 0 0 0 0 13 6 1 0 0 0 0 14 13 2 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 8 4 1 0 0 0 0 15 16 2 0 0 0 0 M END > (BBS-00004635) BBS-00004635 > (BBS-00004635) 50000 $$$$ -ISIS- 02101918162D 13 14 0 0 0 0 0 0 0 0999 V2000 6.5292 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -2.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -4.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -2.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -4.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -2.1417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -4.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 7 1 0 0 0 0 10 5 2 0 0 0 0 11 6 2 0 0 0 0 12 11 1 0 0 0 0 13 10 1 0 0 0 0 6 5 1 0 0 0 0 12 13 2 0 0 0 0 M END > (BBS-00004669) BBS-00004669 > (BBS-00004669) 942 $$$$ -ISIS- 02101918162D 15 16 0 0 0 0 0 0 0 0999 V2000 5.3667 -3.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -4.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -2.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -3.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5125 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5167 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -4.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -3.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -5.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2375 -2.8292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 7 1 0 0 0 0 9 10 2 0 0 0 0 10 8 1 0 0 0 0 11 3 1 0 0 0 0 12 4 1 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 15 10 1 0 0 0 0 13 6 1 0 0 0 0 5 8 2 0 0 0 0 M END > (BBS-00004674) BBS-00004674 > (BBS-00004674) 40000 $$$$ -ISIS- 02101918162D 12 13 0 0 0 0 0 0 0 0999 V2000 5.4042 -3.0125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5792 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -3.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7375 -3.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -4.4375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6917 -1.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -5.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2250 -4.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 6 2 0 0 0 0 10 9 1 0 0 0 0 8 11 1 1 0 0 0 12 8 1 0 0 0 0 4 3 1 0 0 0 0 10 7 2 0 0 0 0 M END > (BBS-00004681) BBS-00004681 > (BBS-00004681) 30000 > (BBS-00004681) 2HCl $$$$ -ISIS- 02101918162D 15 16 0 0 0 0 0 0 0 0999 V2000 3.3167 1.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0375 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -0.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 1.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -0.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 0.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 1.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 5 2 0 0 0 0 10 2 2 0 0 0 0 11 3 2 0 0 0 0 12 7 2 0 0 0 0 13 6 2 0 0 0 0 14 8 2 0 0 0 0 15 7 1 0 0 0 0 4 3 1 0 0 0 0 14 13 1 0 0 0 0 M END > (BBS-00004691) BBS-00004691 > (BBS-00004691) 60000 $$$$ -ISIS- 02101918162D 20 22 0 0 0 0 0 0 0 0999 V2000 4.7417 -2.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5500 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -1.6042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2167 -2.9042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5167 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -1.9417 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.6542 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4292 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2625 -1.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 7 1 0 0 0 0 9 7 2 0 0 0 0 10 6 1 0 0 0 0 11 13 2 0 0 0 0 12 18 1 0 0 0 0 13 9 1 0 0 0 0 14 8 2 0 0 0 0 15 11 1 0 0 0 0 16 10 2 0 0 0 0 17 10 1 0 0 0 0 18 17 2 0 0 0 0 19 16 1 0 0 0 0 20 12 1 0 0 0 0 4 5 1 0 0 0 0 11 14 1 0 0 0 0 19 12 2 0 0 0 0 M END > (BBS-00004787) BBS-00004787 > (BBS-00004787) 940 $$$$ -ISIS- 02101918162D 19 20 0 0 0 0 0 0 0 0999 V2000 1.5000 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -0.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0375 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 0.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 0.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9375 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 2.5833 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 10 2 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 3 2 0 0 0 0 8 2 1 0 0 0 0 9 11 2 0 0 0 0 10 12 1 0 0 0 0 11 8 1 0 0 0 0 12 8 2 0 0 0 0 13 14 1 0 0 0 0 14 3 1 0 0 0 0 15 6 2 0 0 0 0 16 6 1 0 0 0 0 17 16 2 0 0 0 0 18 15 1 0 0 0 0 19 17 1 0 0 0 0 19 18 2 0 0 0 0 9 4 1 0 0 0 0 M END > (BBS-00004799) BBS-00004799 > (BBS-00004799) 1670 $$$$ -ISIS- 02101918162D 7 7 0 0 0 0 0 0 0 0999 V2000 -0.0125 -2.7417 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.9417 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 -3.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -3.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 7 5 1 0 0 0 0 M END > (BBS-00004819) BBS-00004819 > (BBS-00004819) 1200 $$$$ -ISIS- 02101918162D 18 20 0 0 0 0 0 0 0 0999 V2000 -2.2375 2.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 3.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9083 2.2708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.4333 2.5833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1375 3.9833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3208 3.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 3.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9083 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2083 4.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 3.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 3.6208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9083 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 9 1 0 0 0 0 8 2 1 0 0 0 0 9 4 2 0 0 0 0 10 3 1 0 0 0 0 11 6 2 0 0 0 0 12 9 1 0 0 0 0 13 12 1 0 0 0 0 14 10 1 0 0 0 0 15 10 2 0 0 0 0 16 15 1 0 0 0 0 17 14 2 0 0 0 0 18 16 2 0 0 0 0 5 8 2 0 0 0 0 6 7 1 0 0 0 0 18 17 1 0 0 0 0 M END > (BBS-00005319) BBS-00005319 > (BBS-00005319) 5820 $$$$ -ISIS- 02101918162D 13 14 0 0 0 0 0 0 0 0999 V2000 1.2125 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 1.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 4.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0917 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 2 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 2 2 0 0 0 0 8 9 2 0 0 0 0 9 7 1 0 0 0 0 10 1 1 0 0 0 0 11 5 2 0 0 0 0 12 8 1 0 0 0 0 13 12 2 0 0 0 0 8 4 1 0 0 0 0 13 11 1 0 0 0 0 M END > (BBS-00005341) BBS-00005341 > (BBS-00005341) 1210 $$$$ -ISIS- 02101918162D 12 13 0 0 0 0 0 0 0 0999 V2000 2.2375 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 4.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 2 1 0 0 0 0 9 12 1 0 0 0 0 10 3 2 0 0 0 0 11 4 2 0 0 0 0 12 5 2 0 0 0 0 9 8 2 0 0 0 0 10 11 1 0 0 0 0 M END > (BBS-00005344) BBS-00005344 > (BBS-00005344) 5000 $$$$ -ISIS- 02101918162D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.3000 -1.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9125 1.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.7417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0000 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9083 3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 -1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8708 3.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2083 3.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2083 4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 9 2 2 0 0 0 0 10 8 2 0 0 0 0 11 8 1 0 0 0 0 12 7 1 0 0 0 0 13 6 1 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 16 15 1 0 0 0 0 4 3 1 0 0 0 0 12 16 1 0 0 0 0 M END > (BBS-00005501) BBS-00005501 > (BBS-00005501) 1100 $$$$ -ISIS- 02101918162D 19 20 0 0 0 0 0 0 0 0999 V2000 7.0167 -2.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -5.7292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3042 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0167 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -3.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -1.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -6.1417 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.8875 -6.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -3.6667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3042 -1.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 -3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 7 1 0 0 0 0 4 10 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 12 2 0 0 0 0 11 9 3 0 0 0 0 12 8 1 0 0 0 0 13 4 1 0 0 0 0 14 4 2 0 0 0 0 15 6 1 0 0 0 0 16 5 1 0 0 0 0 17 8 2 0 0 0 0 18 19 2 0 0 0 0 19 17 1 0 0 0 0 3 2 2 0 0 0 0 18 10 1 0 0 0 0 M CHG 2 4 1 13 -1 M END > (BBS-00005631) BBS-00005631 > (BBS-00005631) 2500 $$$$ -ISIS- 02101918162D 17 18 0 0 0 0 0 0 0 0999 V2000 -0.4708 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 0.0333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 0.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 0.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 0.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 0.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 8 2 0 0 0 0 6 3 1 0 0 0 0 7 2 2 0 0 0 0 8 4 1 0 0 0 0 9 6 2 0 0 0 0 10 5 1 0 0 0 0 11 8 1 0 0 0 0 12 6 1 0 0 0 0 13 14 1 0 0 0 0 14 11 2 0 0 0 0 15 13 1 0 0 0 0 16 7 1 0 0 0 0 17 15 1 0 0 0 0 7 5 1 0 0 0 0 13 10 2 0 0 0 0 M END > (BBS-00005665) BBS-00005665 > (BBS-00005665) 1000 $$$$ -ISIS- 02101918162D 16 15 0 0 0 0 0 0 0 0999 V2000 7.2625 -2.6000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.4667 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -3.7750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.7417 -4.6500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.8667 -3.6875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2625 -1.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4375 -2.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2292 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0875 -2.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2625 -3.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -2.6375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -3.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 0 0 0 0 4 13 1 0 0 0 0 5 2 2 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 3 1 0 0 0 0 10 1 1 0 0 0 0 11 1 1 0 0 0 0 12 2 1 0 0 0 0 13 9 1 0 0 0 0 14 8 1 0 0 0 0 15 4 1 0 0 0 0 16 15 1 0 0 0 0 14 4 1 0 0 0 0 M END > (BBS-00005756) BBS-00005756 > (BBS-00005756) 14690 > (BBS-00005756) H2SO4 $$$$ -ISIS- 02101918162D 20 23 0 0 0 0 0 0 0 0999 V2000 6.2875 -4.7417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5667 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -3.5167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 -4.1792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5625 -3.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -5.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 -5.9875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5875 -1.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -4.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 -5.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 4 2 0 0 0 0 7 5 2 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 6 1 0 0 0 0 11 5 1 0 0 0 0 12 16 2 0 0 0 0 13 8 2 0 0 0 0 14 9 2 0 0 0 0 15 17 2 0 0 0 0 16 18 1 0 0 0 0 17 10 1 0 0 0 0 18 10 2 0 0 0 0 19 13 1 0 0 0 0 20 14 1 0 0 0 0 6 3 1 0 0 0 0 8 9 1 0 0 0 0 19 20 2 0 0 0 0 15 12 1 0 0 0 0 M END > (BBS-00005778) BBS-00005778 > (BBS-00005778) 5000 $$$$ -ISIS- 02101918162D 13 14 0 0 0 0 0 0 0 0999 V2000 6.9792 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 -3.5792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5500 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5500 -2.3417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 -2.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6917 -1.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4042 -3.1667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8292 -3.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1292 -3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 4 2 0 0 0 0 11 9 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 3 5 1 0 0 0 0 8 11 1 0 0 0 0 M END > (BBS-00005781) BBS-00005781 > (BBS-00005781) 1000 $$$$ -ISIS- 02101918162D 14 15 0 0 0 0 0 0 0 0999 V2000 5.4917 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -2.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -2.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8417 -3.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1667 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -5.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -5.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -5.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -6.4500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 11 1 0 0 0 0 11 9 2 0 0 0 0 12 8 1 0 0 0 0 13 10 1 0 0 0 0 14 5 1 0 0 0 0 3 4 1 0 0 0 0 10 12 2 0 0 0 0 M END > (BBS-00005783) BBS-00005783 > (BBS-00005783) 1900 > (BBS-00005783) HCl $$$$ -ISIS- 02101918162D 14 15 0 0 0 0 0 0 0 0999 V2000 5.4917 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -1.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -1.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8500 -2.7792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -5.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -5.9792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 11 1 0 0 0 0 11 9 2 0 0 0 0 12 8 1 0 0 0 0 13 10 1 0 0 0 0 14 5 1 0 0 0 0 3 4 1 0 0 0 0 10 12 2 0 0 0 0 M END > (BBS-00005784) BBS-00005784 > (BBS-00005784) 1000 > (BBS-00005784) HCl $$$$ -ISIS- 02101918162D 15 16 0 0 0 0 0 0 0 0999 V2000 5.4917 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -1.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -1.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8500 -2.7792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -5.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1792 -4.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8125 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4917 -5.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 11 1 0 0 0 0 11 9 2 0 0 0 0 12 8 1 0 0 0 0 13 10 1 0 0 0 0 14 5 1 0 0 0 0 15 13 1 0 0 0 0 3 4 1 0 0 0 0 10 12 2 0 0 0 0 M END > (BBS-00005785) BBS-00005785 > (BBS-00005785) 1000 $$$$ -ISIS- 02101918162D 7 7 0 0 0 0 0 0 0 0999 V2000 5.4750 -2.6375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -1.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -1.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -2.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 4 3 1 0 0 0 0 M END > (BBS-00005786) BBS-00005786 > (BBS-00005786) 2000 $$$$ -ISIS- 02101918162D 18 19 0 0 0 0 0 0 0 0999 V2000 2.4042 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -0.7917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -1.2750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -1.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 1.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 7 2 0 0 0 0 11 8 1 0 0 0 0 12 9 2 0 0 0 0 13 7 1 0 0 0 0 14 12 1 0 0 0 0 15 8 1 0 0 0 0 16 12 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 2 4 2 0 0 0 0 11 14 2 0 0 0 0 M END > (BBS-00005800) BBS-00005800 > (BBS-00005800) 4000 $$$$ -ISIS- 02101918162D 18 19 0 0 0 0 0 0 0 0999 V2000 5.6292 -3.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 -3.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -2.5542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8042 -3.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8792 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8625 -5.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5292 -5.7625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9792 -5.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -6.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6000 -4.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2125 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6667 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 2 0 0 0 0 4 8 2 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 9 1 0 0 0 0 11 4 1 0 0 0 0 12 11 2 0 0 0 0 13 11 1 0 0 0 0 14 5 1 0 0 0 0 15 6 1 0 0 0 0 16 7 1 0 0 0 0 17 14 1 0 0 0 0 18 17 1 0 0 0 0 3 5 1 0 0 0 0 4 10 1 0 0 0 0 M END > (BBS-00005819) BBS-00005819 > (BBS-00005819) 1000 $$$$ -ISIS- 02101918162D 12 12 0 0 0 0 0 0 0 0999 V2000 5.8667 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -5.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5292 -4.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -3.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8250 -5.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1000 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -3.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2667 -4.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 -2.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9167 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 2 1 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 12 1 0 0 0 0 12 8 1 0 0 0 0 5 4 2 0 0 0 0 M END > (BBS-00005821) BBS-00005821 > (BBS-00005821) 1033 $$$$ -ISIS- 02101918162D 20 22 0 0 0 0 0 0 0 0999 V2000 2.8750 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -1.7042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.0875 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -0.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -1.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0292 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7500 -0.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 0.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -2.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 4 2 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 7 1 0 0 0 0 11 3 1 0 0 0 0 12 10 2 0 0 0 0 13 10 1 0 0 0 0 14 6 1 0 0 0 0 15 8 1 0 0 0 0 16 11 2 0 0 0 0 17 11 1 0 0 0 0 18 17 2 0 0 0 0 19 16 1 0 0 0 0 20 18 1 0 0 0 0 6 5 2 0 0 0 0 8 9 2 0 0 0 0 19 20 2 0 0 0 0 M END > (BBS-00005826) BBS-00005826 > (BBS-00005826) 1000 $$$$ -ISIS- 02101918162D 26 29 0 0 0 0 0 0 0 0999 V2000 1.9375 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -0.3625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6667 0.3083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -0.5167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6417 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -0.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 -1.1417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0000 -1.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 2.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 2.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 -0.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4417 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 5 2 0 0 0 0 9 8 1 0 0 0 0 10 6 1 0 0 0 0 11 8 1 0 0 0 0 12 13 2 0 0 0 0 13 11 1 0 0 0 0 14 20 2 0 0 0 0 15 12 1 0 0 0 0 16 3 1 0 0 0 0 17 14 1 0 0 0 0 18 10 2 0 0 0 0 19 11 2 0 0 0 0 20 19 1 0 0 0 0 21 10 1 0 0 0 0 22 23 1 0 0 0 0 23 15 1 0 0 0 0 24 17 1 0 0 0 0 25 16 1 0 0 0 0 26 16 1 0 0 0 0 7 4 2 0 0 0 0 6 9 2 0 0 0 0 12 14 1 0 0 0 0 24 22 1 0 0 0 0 M END > (BBS-00005947) BBS-00005947 > (BBS-00005947) 2000 $$$$ -ISIS- 02101918162D 13 13 0 0 0 0 0 0 0 0999 V2000 5.8167 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -4.9125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -4.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5375 -2.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -2.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -5.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 9 1 0 0 0 0 6 2 1 0 0 0 0 7 1 2 0 0 0 0 8 1 1 0 0 0 0 9 10 2 0 0 0 0 10 3 1 0 0 0 0 11 6 1 0 0 0 0 12 6 1 0 0 0 0 13 6 1 0 0 0 0 2 5 2 0 0 0 0 M END > (BBS-00006015) BBS-00006015 > (BBS-00006015) 47500 $$$$ -ISIS- 02101918162D 16 17 0 0 0 0 0 0 0 0999 V2000 2.0625 -0.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8542 1.3625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2750 0.6458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6417 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 0.4333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2667 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -1.5792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8167 -0.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 4 1 0 0 0 0 10 4 2 0 0 0 0 11 6 1 0 0 0 0 12 2 1 0 0 0 0 13 2 1 0 0 0 0 14 3 1 0 0 0 0 15 9 1 0 0 0 0 16 9 1 0 0 0 0 3 8 1 0 0 0 0 6 3 1 0 0 0 0 M END > (BBS-00006019) BBS-00006019 > (BBS-00006019) 1000 $$$$ -ISIS- 02101918162D 17 18 0 0 0 0 0 0 0 0999 V2000 6.3292 -6.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -5.7167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.6542 -7.1250 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.6167 -5.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 -6.1292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.8500 -6.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4417 -7.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2417 -7.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5167 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0667 -6.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6167 -4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -4.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 -4.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -5.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9125 -6.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 3 2 0 0 0 0 10 3 2 0 0 0 0 11 5 1 0 0 0 0 12 11 1 0 0 0 0 13 4 1 0 0 0 0 14 13 1 0 0 0 0 15 7 2 0 0 0 0 16 8 2 0 0 0 0 17 8 1 0 0 0 0 7 14 1 0 0 0 0 3 12 1 0 0 0 0 M END > (BBS-00006218) BBS-00006218 > (BBS-00006218) 60000 $$$$ -ISIS- 02101918162D 12 13 0 0 0 0 0 0 0 0999 V2000 0.9042 -0.0917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8167 0.7333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 0.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 0.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -0.0792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 7 2 0 0 0 0 9 8 1 0 0 0 0 10 6 2 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 3 4 1 0 0 0 0 12 8 1 0 0 0 0 M END > (BBS-00006219) BBS-00006219 > (BBS-00006219) 50000 $$$$ -ISIS- 02101918162D 15 17 0 0 0 0 0 0 0 0999 V2000 1.9667 -2.9167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.7542 -3.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -1.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -3.9417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2417 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -4.8792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -4.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -5.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 5 1 0 0 0 0 9 12 1 0 0 0 0 10 7 2 0 0 0 0 11 10 1 0 0 0 0 12 6 1 0 0 0 0 13 6 1 0 0 0 0 14 15 1 0 0 0 0 15 13 1 0 0 0 0 4 3 1 0 0 0 0 11 8 2 0 0 0 0 14 9 1 0 0 0 0 M END > (BBS-00006221) BBS-00006221 > (BBS-00006221) 15000 > (BBS-00006221) 2HCl $$$$ -ISIS- 02101918162D 8 8 0 0 0 0 0 0 0 0999 V2000 4.1667 -1.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 0.8875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4542 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -0.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 8 2 0 0 0 0 8 6 1 0 0 0 0 2 7 1 0 0 0 0 M END > (BBS-00006397) BBS-00006397 > (BBS-00006397) 3170 > (BBS-00006397) HCl $$$$ -ISIS- 02101918162D 10 10 0 0 0 0 0 0 0 0999 V2000 6.6292 -4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 -4.9042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6250 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -4.5042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0500 -4.4917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -3.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -3.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 4 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 9 10 1 0 0 0 0 M END > (BBS-00006517) BBS-00006517 > (BBS-00006517) 1000 $$$$ -ISIS- 02101918162D 8 7 0 0 0 0 0 0 0 0999 V2000 1.6417 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 0.5750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 0.1625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2083 0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 M END > (BBS-00006591) BBS-00006591 > (BBS-00006591) 2000 $$$$ -ISIS- 02101918162D 7 7 0 0 0 0 0 0 0 0999 V2000 3.1250 -0.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -2.0792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -0.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -2.0792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 4 6 1 0 0 0 0 M END > (BBS-00006723) BBS-00006723 > (BBS-00006723) 1000 $$$$ -ISIS- 02101918162D 15 16 0 0 0 0 0 0 0 0999 V2000 2.1917 -0.9625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -0.7792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2042 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 -1.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 -3.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3542 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8667 -3.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 0.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 5 2 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 1 1 0 0 0 0 11 3 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 14 15 1 0 0 0 0 6 8 2 0 0 0 0 M END > (BBS-00006865) BBS-00006865 > (BBS-00006865) 1000 > (BBS-00006865) HCl $$$$ -ISIS- 02101918162D 15 17 0 0 0 0 0 0 0 0999 V2000 6.1542 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4375 -2.7375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4417 -4.3917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -2.7292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.8667 -4.3792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -3.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8625 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 -4.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -3.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 11 5 1 0 0 0 0 12 7 2 0 0 0 0 13 8 2 0 0 0 0 14 13 1 0 0 0 0 15 12 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 15 14 2 0 0 0 0 M END > (BBS-00007031) BBS-00007031 > (BBS-00007031) 20000 $$$$ -ISIS- 02101918162D 11 12 0 0 0 0 0 0 0 0999 V2000 1.2042 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -1.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -2.2417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -2.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -1.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -0.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2250 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 2 2 0 0 0 0 8 6 1 0 0 0 0 9 5 1 0 0 0 0 10 8 2 0 0 0 0 11 8 1 0 0 0 0 5 3 2 0 0 0 0 10 7 1 0 0 0 0 M END > (BBS-00007048) BBS-00007048 > (BBS-00007048) 2000 $$$$ -ISIS- 02101918162D 18 18 0 0 0 0 0 0 0 0999 V2000 4.8750 -1.5125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.3750 -2.9375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 6.5500 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1375 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1292 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3125 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 -1.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 -0.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -3.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2000 -2.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5875 -1.0917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -2.1125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 -2.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -4.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6542 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1292 -5.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 5 2 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 4 2 0 0 0 0 7 8 2 0 0 0 0 8 6 1 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 2 2 0 0 0 0 12 2 2 0 0 0 0 13 1 1 0 0 0 0 14 2 1 0 0 0 0 15 6 1 0 0 0 0 16 7 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 3 7 1 0 0 0 0 M END > (BBS-00007062) BBS-00007062 > (BBS-00007062) 5000 $$$$ -ISIS- 02101918162D 13 13 0 0 0 0 0 0 0 0999 V2000 1.2542 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 0.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 -1.3417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -2.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 11 1 0 0 0 0 9 3 1 0 0 0 0 10 5 1 0 0 0 0 11 10 1 0 0 0 0 12 7 2 0 0 0 0 13 12 1 0 0 0 0 9 13 2 0 0 0 0 M END > (BBS-00007307) BBS-00007307 > (BBS-00007307) 2000 $$$$ -ISIS- 02101918162D 10 10 0 0 0 0 0 0 0 0999 V2000 5.8125 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -2.4417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -1.9000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.4000 -1.1125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5917 -1.2875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5625 -2.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7125 -1.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4625 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 4 1 0 0 0 0 7 3 2 0 0 0 0 8 3 2 0 0 0 0 9 5 1 0 0 0 0 10 3 1 0 0 0 0 5 6 1 0 0 0 0 M END > (BBS-00008252) BBS-00008252 > (BBS-00008252) 1000 $$$$ -ISIS- 02101918162D 15 16 0 0 0 0 0 0 0 0999 V2000 2.2125 -2.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -2.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1542 -2.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -2.7667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -3.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 2 2 0 0 0 0 9 5 1 0 0 0 0 10 7 2 0 0 0 0 11 4 1 0 0 0 0 12 4 2 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 14 2 0 0 0 0 13 15 1 0 0 0 0 10 5 1 0 0 0 0 M END > (BBS-00008401) BBS-00008401 > (BBS-00008401) 3000 > (BBS-00008401) HCl $$$$ -ISIS- 02101918162D 12 12 0 0 0 0 0 0 0 0999 V2000 5.2042 -5.8625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.9167 -5.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 -5.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -6.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -6.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3500 -5.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -5.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -7.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -7.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -6.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -7.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 7 1 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 5 2 0 0 0 0 10 9 1 0 0 0 0 11 8 2 0 0 0 0 12 10 2 0 0 0 0 12 11 1 0 0 0 0 M END > (BBS-00008412) BBS-00008412 > (BBS-00008412) 2000 > (BBS-00008412) HCl $$$$ -ISIS- 02101918162D 14 15 0 0 0 0 0 0 0 0999 V2000 2.7292 -1.5625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.4417 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4417 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 -4.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 -4.0375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -3.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3125 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1250 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -4.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 14 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 5 2 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 12 2 0 0 0 0 11 10 1 0 0 0 0 6 2 2 0 0 0 0 M END > (BBS-00008492) BBS-00008492 > (BBS-00008492) 4500 $$$$ -ISIS- 02101918162D 19 21 0 0 0 0 0 0 0 0999 V2000 -0.4083 -0.4167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0750 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 0.9250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -1.1292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4000 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 -3.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 4 2 0 0 0 0 10 5 2 0 0 0 0 11 8 1 0 0 0 0 12 6 1 0 0 0 0 13 7 1 0 0 0 0 14 7 2 0 0 0 0 15 9 1 0 0 0 0 16 15 2 0 0 0 0 17 14 1 0 0 0 0 18 13 2 0 0 0 0 19 17 2 0 0 0 0 5 3 1 0 0 0 0 16 10 1 0 0 0 0 19 18 1 0 0 0 0 M END > (BBS-00009813) BBS-00009813 > (BBS-00009813) 1040 $$$$ -ISIS- 02101918162D 14 15 0 0 0 0 0 0 0 0999 V2000 2.5417 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 1.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -1.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 0.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 0.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 1.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 7 3 2 0 0 0 0 8 4 2 0 0 0 0 9 2 2 0 0 0 0 10 1 1 0 0 0 0 11 10 2 0 0 0 0 12 8 1 0 0 0 0 13 7 1 0 0 0 0 14 12 1 0 0 0 0 4 3 1 0 0 0 0 12 13 2 0 0 0 0 M END > (BBS-00012582) BBS-00012582 > (BBS-00012582) 970 $$$$ -ISIS- 02101918162D 8 8 0 0 0 0 0 0 0 0999 V2000 7.4000 -1.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -0.8167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4000 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -3.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 4 2 0 0 0 0 6 7 1 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 3 2 1 0 0 0 0 M END > (BBS-00012684) BBS-00012684 > (BBS-00012684) 2000 $$$$ -ISIS- 02101918162D 25 28 0 0 0 0 0 0 0 0999 V2000 -2.8375 3.5958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.8333 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 3.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5125 2.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2083 3.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2083 2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 1.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1583 4.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0375 3.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 2.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 3.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9083 3.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8833 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5833 3.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5833 2.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 2 0 0 0 0 7 5 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 4 1 0 0 0 0 11 10 3 0 0 0 0 12 5 1 0 0 0 0 13 3 1 0 0 0 0 14 12 1 0 0 0 0 15 7 1 0 0 0 0 16 19 2 0 0 0 0 17 14 1 0 0 0 0 18 14 2 0 0 0 0 19 18 1 0 0 0 0 20 17 2 0 0 0 0 21 8 1 0 0 0 0 22 9 1 0 0 0 0 23 16 1 0 0 0 0 24 21 2 0 0 0 0 25 24 1 0 0 0 0 9 6 1 0 0 0 0 4 7 2 0 0 0 0 22 25 2 0 0 0 0 20 16 1 0 0 0 0 M END > (BBS-00012889) BBS-00012889 > (BBS-00012889) 1050 $$$$ -ISIS- 02101918162D 20 23 0 0 0 0 0 0 0 0999 V2000 -4.5583 3.7958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -4.5583 2.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8625 4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9333 3.7958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2375 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8625 2.5958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1833 3.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9333 2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1750 2.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2375 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8583 5.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6167 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9583 3.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9208 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5500 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5458 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9208 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2375 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 4 2 0 0 0 0 9 7 1 0 0 0 0 10 5 1 0 0 0 0 11 3 1 0 0 0 0 12 7 1 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 15 12 1 0 0 0 0 16 10 2 0 0 0 0 17 10 1 0 0 0 0 18 17 2 0 0 0 0 19 16 1 0 0 0 0 20 18 1 0 0 0 0 5 8 1 0 0 0 0 9 6 2 0 0 0 0 15 14 1 0 0 0 0 19 20 2 0 0 0 0 M END > (BBS-00012913) BBS-00012913 > (BBS-00012913) 1083 $$$$ -ISIS- 02101918162D 18 19 0 0 0 0 0 0 0 0999 V2000 1.7292 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8125 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -0.3750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3625 1.3458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.1792 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 1.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -0.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 2.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 2.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 1.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 7 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 6 1 0 0 0 0 12 3 1 0 0 0 0 13 8 2 0 0 0 0 14 9 2 0 0 0 0 15 8 1 0 0 0 0 16 9 1 0 0 0 0 17 15 1 0 0 0 0 18 17 1 0 0 0 0 3 5 1 0 0 0 0 10 11 1 0 0 0 0 M END > (BBS-00012980) BBS-00012980 > (BBS-00012980) 1040 $$$$ -ISIS- 02101918162D 11 11 0 0 0 0 0 0 0 0999 V2000 6.4500 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -7.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4500 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5917 -5.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1625 -5.9750 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 7.1667 -7.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7292 -5.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 7 3 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 1 1 0 0 0 0 10 4 1 0 0 0 0 11 3 1 0 0 0 0 8 5 2 0 0 0 0 M END > (BBS-00013173) BBS-00013173 > (BBS-00013173) 1000 $$$$ -ISIS- 02101918162D 19 21 0 0 0 0 0 0 0 0999 V2000 4.7042 -3.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -4.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7917 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -4.1417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -5.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0417 -4.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2917 -5.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2125 -3.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 -2.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -4.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 -2.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6292 -3.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7125 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 9 1 0 0 0 0 9 3 2 0 0 0 0 10 8 1 0 0 0 0 11 3 1 0 0 0 0 12 6 2 0 0 0 0 13 10 2 0 0 0 0 14 10 1 0 0 0 0 15 11 1 0 0 0 0 16 11 2 0 0 0 0 17 16 1 0 0 0 0 18 15 2 0 0 0 0 19 17 2 0 0 0 0 5 7 1 0 0 0 0 8 4 2 0 0 0 0 19 18 1 0 0 0 0 M END > (BBS-00013343) BBS-00013343 > (BBS-00013343) 4000 $$$$ -ISIS- 02101918162D 21 22 0 0 0 0 0 0 0 0999 V2000 5.1167 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -3.7250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.5417 -3.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -3.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -4.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -2.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2625 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 -2.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6875 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6917 -3.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -3.7250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -4.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6917 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8375 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 9 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 3 1 0 0 0 0 10 4 2 0 0 0 0 11 5 1 0 0 0 0 12 4 1 0 0 0 0 13 11 2 0 0 0 0 14 6 1 0 0 0 0 15 11 1 0 0 0 0 16 7 1 0 0 0 0 17 7 2 0 0 0 0 18 14 1 0 0 0 0 19 16 2 0 0 0 0 20 17 1 0 0 0 0 21 20 2 0 0 0 0 10 13 1 0 0 0 0 19 21 1 0 0 0 0 M END > (BBS-00013418) BBS-00013418 > (BBS-00013418) 1082 $$$$ -ISIS- 02101918162D 13 14 0 0 0 0 0 0 0 0999 V2000 7.7042 -4.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1542 -5.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4542 -5.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5750 -6.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3750 -5.9167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4875 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 -4.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -5.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6917 -3.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8542 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0542 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 2 4 2 1 0 0 0 0 5 3 1 0 0 0 2 6 1 1 0 0 0 2 7 3 2 0 0 0 2 8 2 1 0 0 0 0 9 6 1 0 0 0 2 10 6 2 0 0 0 2 11 9 2 0 0 0 2 12 10 1 0 0 0 2 13 12 2 0 0 0 2 4 5 1 0 0 0 2 11 13 1 0 0 0 2 M END > (BBS-00014285) BBS-00014285 > (BBS-00014285) 3000 $$$$ -ISIS- 02101918162D 15 16 0 0 0 0 0 0 0 0999 V2000 6.6875 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -5.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -7.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -7.1375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -5.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -6.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -5.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -7.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 -4.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -6.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -7.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -8.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -7.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1125 -7.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 4 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 5 1 0 0 0 0 11 9 2 0 0 0 0 12 9 1 0 0 0 0 13 12 2 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 8 5 2 0 0 0 0 15 14 2 0 0 0 0 M END > (BBS-00015342) BBS-00015342 > (BBS-00015342) 5130 $$$$ -ISIS- 02101918162D 16 17 0 0 0 0 0 0 0 0999 V2000 3.9667 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -1.7167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 0.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2625 -2.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 -0.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4042 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 6 2 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 6 1 0 0 0 0 12 5 2 0 0 0 0 13 7 2 0 0 0 0 14 11 1 0 0 0 0 15 12 1 0 0 0 0 16 15 2 0 0 0 0 4 7 1 0 0 0 0 16 13 1 0 0 0 0 M END > (BBS-00015892) BBS-00015892 > (BBS-00015892) 1080 $$$$ -ISIS- 02101918162D 24 27 0 0 0 0 0 0 0 0999 V2000 3.4792 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -2.6125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3042 -1.9042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -2.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7792 -1.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8000 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -1.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2042 -2.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4625 -0.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -4.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1792 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 1 2 0 0 0 0 9 5 2 0 0 0 0 10 6 2 0 0 0 0 11 8 1 0 0 0 0 12 7 1 0 0 0 0 13 11 2 0 0 0 0 14 12 2 0 0 0 0 15 8 1 0 0 0 0 16 7 1 0 0 0 0 17 5 1 0 0 0 0 18 6 1 0 0 0 0 19 10 1 0 0 0 0 20 9 1 0 0 0 0 21 18 2 0 0 0 0 22 17 2 0 0 0 0 23 22 1 0 0 0 0 24 21 1 0 0 0 0 13 9 1 0 0 0 0 20 23 2 0 0 0 0 10 14 1 0 0 0 0 19 24 2 0 0 0 0 M END > (BBS-00015918) BBS-00015918 > (BBS-00015918) 1000 $$$$ -ISIS- 02101918162D 14 15 0 0 0 0 0 0 0 0999 V2000 5.7792 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7792 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4875 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4875 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1917 -5.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -4.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9042 -6.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4917 -7.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4875 -3.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -6.2042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.0625 -4.5542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.9125 -4.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6250 -5.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6250 -4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 5 2 0 0 0 0 7 5 1 0 0 0 0 8 3 2 0 0 0 0 9 4 2 0 0 0 0 10 1 1 0 0 0 0 11 2 1 0 0 0 0 12 6 1 0 0 0 0 13 7 2 0 0 0 0 14 13 1 0 0 0 0 4 6 1 0 0 0 0 14 12 2 0 0 0 0 M END > (BBS-00018028) BBS-00018028 > (BBS-00018028) 4220 $$$$ -ISIS- 02101918162D 11 11 0 0 0 0 0 0 0 0999 V2000 3.4292 -4.4292 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7042 -4.0167 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 7.7250 -6.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 -4.8375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 -6.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8625 -5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -5.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -6.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8625 -6.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 3 0 0 0 0 4 1 2 0 0 0 0 5 6 1 0 0 0 0 6 9 2 0 0 0 0 7 4 1 0 0 0 0 8 10 2 0 0 0 0 9 11 1 0 0 0 0 10 7 1 0 0 0 0 11 7 2 0 0 0 0 6 8 1 0 0 0 0 M CHG 2 1 1 2 -1 M END > (BBS-00018793) BBS-00018793 > (BBS-00018793) 4500 $$$$ -ISIS- 02101918162D 17 19 0 0 0 0 0 0 0 0999 V2000 3.1625 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -2.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5875 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -1.9667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0125 -2.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5875 -1.1417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -3.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -3.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3042 -2.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 8 1 0 0 0 0 6 11 1 0 0 0 0 7 6 1 0 0 0 0 8 9 2 0 0 0 0 9 1 1 0 0 0 0 10 2 1 0 0 0 0 11 4 1 0 0 0 0 12 7 1 0 0 0 0 13 4 2 0 0 0 0 14 7 2 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 17 5 1 0 0 0 0 6 10 1 0 0 0 0 3 5 2 0 0 0 0 16 15 2 0 0 0 0 M END > (BBS-00020152) BBS-00020152 > (BBS-00020152) 920 $$$$ -ISIS- 02101918162D 12 12 0 0 0 0 0 0 0 0999 V2000 7.3542 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9167 -2.1750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -2.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -1.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 -2.5792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 6 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 10 9 2 0 0 0 0 11 8 1 0 0 0 0 12 10 1 0 0 0 0 11 12 2 0 0 0 0 M END > (BBS-00027939) BBS-00027939 > (BBS-00027939) 1000 $$$$ -ISIS- 02101918162D 11 10 0 0 0 0 0 0 0 0999 V2000 4.3917 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 -6.8167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -6.8167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8250 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -5.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -5.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6875 -6.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 1 2 0 0 0 0 9 2 2 0 0 0 0 10 6 2 0 0 0 0 11 7 2 0 0 0 0 M END > (BBS-00028540) BBS-00028540 > (BBS-00028540) 30000 $$$$ -ISIS- 02101918162D 12 12 0 0 0 0 0 0 0 0999 V2000 3.6292 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -1.6750 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.9125 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 -3.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 -2.0875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3375 -0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -3.3375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -0.8542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 2 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 4 1 0 0 0 0 11 3 1 0 0 0 0 12 7 1 0 0 0 0 5 7 2 0 0 0 0 M CHG 2 2 1 8 -1 M END > (BBV-00000240) BBV-00000240 > (BBV-00000240) 1470 $$$$ -ISIS- 02101918162D 23 25 0 0 0 0 0 0 0 0999 V2000 3.4667 -2.2667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.7542 -2.6875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.0375 -2.2667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0375 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -2.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -3.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 -0.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 -1.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 -3.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5417 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9542 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 1 1 0 0 0 0 10 4 1 0 0 0 0 11 12 1 0 0 0 0 12 6 1 0 0 0 0 13 10 2 0 0 0 0 14 10 1 0 0 0 0 15 5 1 0 0 0 0 16 9 1 0 0 0 0 17 9 2 0 0 0 0 18 11 1 0 0 0 0 19 15 2 0 0 0 0 20 18 2 0 0 0 0 21 17 1 0 0 0 0 22 16 2 0 0 0 0 23 21 2 0 0 0 0 23 22 1 0 0 0 0 11 5 2 0 0 0 0 20 19 1 0 0 0 0 M END > (BBV-00001162) BBV-00001162 > (BBV-00001162) 6330 $$$$ -ISIS- 02101918162D 14 15 0 0 0 0 0 0 0 0999 V2000 -0.5708 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 -0.0292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 0.0833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 1.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 13 1 0 0 0 0 3 5 1 0 0 0 0 14 11 1 0 0 0 0 M END > (BBV-00002428) BBV-00002428 > (BBV-00002428) 3000 $$$$ -ISIS- 02101918162D 16 18 0 0 0 0 0 0 0 0999 V2000 -1.3250 -0.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 1.2000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1083 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1125 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 -0.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5333 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5333 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2500 -0.2917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.3917 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 6 2 0 0 0 0 10 9 1 0 0 0 0 11 9 1 0 0 0 0 12 7 2 0 0 0 0 13 7 1 0 0 0 0 14 13 2 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 3 5 1 0 0 0 0 10 8 2 0 0 0 0 15 16 2 0 0 0 0 M END > (BBV-00002609) BBV-00002609 > (BBV-00002609) 8580 $$$$ -ISIS- 02101918162D 15 17 0 0 0 0 0 0 0 0999 V2000 0.8000 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -0.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 0.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 -1.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 4 2 0 0 0 0 7 1 2 0 0 0 0 8 3 2 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 11 14 1 0 0 0 0 12 5 2 0 0 0 0 13 15 2 0 0 0 0 14 9 1 0 0 0 0 15 12 1 0 0 0 0 3 4 1 0 0 0 0 13 6 1 0 0 0 0 10 9 2 0 0 0 0 M END > (BBV-00002657) BBV-00002657 > (BBV-00002657) 2200 $$$$ -ISIS- 02101918162D 12 12 0 0 0 0 0 0 0 0999 V2000 6.2167 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 -3.8750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -4.7125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -5.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0667 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3625 -6.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1042 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -3.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7667 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -1.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 10 1 0 0 0 0 8 5 2 0 0 0 0 9 5 1 0 0 0 0 10 9 2 0 0 0 0 11 8 1 0 0 0 0 12 7 1 0 0 0 0 7 11 2 0 0 0 0 M END > (BBV-00002997) BBV-00002997 > (BBV-00002997) 3000 $$$$ -ISIS- 02101918162D 9 9 0 0 0 0 0 0 0 0999 V2000 2.3917 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 -2.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 0.0250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -0.7917 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -0.8042 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 3 2 0 0 0 0 9 2 1 0 0 0 0 4 9 2 0 0 0 0 M END > (BBV-00003000) BBV-00003000 > (BBV-00003000) 4800 $$$$ -ISIS- 02101918162D 13 14 0 0 0 0 0 0 0 0999 V2000 5.9667 -5.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -6.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 -6.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -5.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1292 -4.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -6.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -4.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8417 -5.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 10 1 0 0 0 0 7 3 1 0 0 0 0 8 4 2 0 0 0 0 9 5 2 0 0 0 0 10 11 1 0 0 0 0 11 7 1 0 0 0 0 12 13 2 0 0 0 0 13 8 1 0 0 0 0 2 5 1 0 0 0 0 12 9 1 0 0 0 0 M END > (BBV-00003482) BBV-00003482 > (BBV-00003482) 50000 > (BBV-00003482) 2HCl $$$$ -ISIS- 02101918162D 15 16 0 0 0 0 0 0 0 0999 V2000 6.7250 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -3.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4375 -3.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -3.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -3.2417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8542 -4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 -3.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 -4.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -4.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -4.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -2.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -2.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 -3.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 13 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 4 1 0 0 0 0 12 3 2 0 0 0 0 13 11 2 0 0 0 0 14 6 1 0 0 0 0 15 3 1 0 0 0 0 2 7 2 0 0 0 0 9 10 1 0 0 0 0 M END > (BBV-00003632) BBV-00003632 > (BBV-00003632) 50000 $$$$ -ISIS- 02101918162D 11 12 0 0 0 0 0 0 0 0999 V2000 7.1792 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 0.6333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5417 1.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2542 0.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8792 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 2.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2625 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 1.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3417 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 11 8 1 0 0 0 0 4 5 1 0 0 0 0 10 11 1 0 0 0 0 M END > (BBV-00003875) BBV-00003875 > (BBV-00003875) 5260 $$$$ -ISIS- 02101918162D 14 14 0 0 0 0 0 0 0 0999 V2000 1.8125 -2.5667 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0917 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -3.3917 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0917 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -0.9125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -2.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -1.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 9 1 0 0 0 0 8 7 2 0 0 0 0 9 5 1 0 0 0 0 10 7 1 0 0 0 0 11 2 2 0 0 0 0 12 4 2 0 0 0 0 13 11 1 0 0 0 0 14 13 2 0 0 0 0 14 12 1 0 0 0 0 M CHG 2 1 1 3 -1 M END > (BBV-00004719) BBV-00004719 > (BBV-00004719) 1000 $$$$ -ISIS- 02101918162D 11 11 0 0 0 0 0 0 0 0999 V2000 2.4292 -1.6042 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.7167 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -3.2625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -0.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 -1.1875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -3.2625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 2 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 10 2 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 2 2 0 0 0 0 10 9 1 0 0 0 0 11 6 1 0 0 0 0 3 6 1 0 0 0 0 M END > (BBV-00004728) BBV-00004728 > (BBV-00004728) 3800 $$$$ -ISIS- 02101918162D 10 10 0 0 0 0 0 0 0 0999 V2000 4.0625 -2.9917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 -1.7875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 -2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3292 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -2.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4250 -1.2875 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -0.5125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.6292 -3.0542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 3 1 0 0 0 0 8 6 1 0 0 0 0 9 5 1 0 0 0 0 10 4 1 0 0 0 0 6 5 1 0 0 0 0 M END > (BBV-00005372) BBV-00005372 > (BBV-00005372) 1000 $$$$ -ISIS- 02101918162D 13 14 0 0 0 0 0 0 0 0999 V2000 8.0125 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7292 -2.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0042 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4375 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7167 0.2625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8542 -0.5667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.1625 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 7 2 0 0 0 0 11 10 1 0 0 0 0 12 10 1 0 0 0 0 13 6 1 0 0 0 0 11 8 2 0 0 0 0 2 6 2 0 0 0 0 M END > (BBV-00005386) BBV-00005386 > (BBV-00005386) 3700 $$$$ -ISIS- 02101918162D 10 11 0 0 0 0 0 0 0 0999 V2000 2.7667 -1.8542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7625 -3.0667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -2.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -2.4667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3917 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 5 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 3 5 1 0 0 0 0 10 8 1 0 0 0 0 M END > (BBV-00005572) BBV-00005572 > (BBV-00005572) 1273 > (BBV-00005572) HBr $$$$ -ISIS- 02101918162D 13 14 0 0 0 0 0 0 0 0999 V2000 1.8000 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -2.0042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.8000 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -0.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 3 2 0 0 0 0 6 8 2 0 0 0 0 7 9 2 0 0 0 0 8 7 1 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 3 1 0 0 0 0 13 12 1 0 0 0 0 7 5 1 0 0 0 0 13 10 1 0 0 0 0 M END > (BBV-00005613) BBV-00005613 > (BBV-00005613) 1153 $$$$ -ISIS- 02101918162D 9 10 0 0 0 0 0 0 0 0999 V2000 1.0042 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -2.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -0.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 5 1 0 0 0 0 9 7 1 0 0 0 0 9 8 1 0 0 0 0 3 4 1 0 0 0 0 M END > (BBV-00007470) BBV-00007470 > (BBV-00007470) 1000 $$$$ -ISIS- 02101918162D 10 10 0 0 0 0 0 0 0 0999 V2000 -0.4750 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 -0.9042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -1.3792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 0.5083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 0.5583 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5292 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 2 1 0 0 0 0 9 8 1 0 0 0 0 10 8 1 0 0 0 0 3 4 1 0 0 0 0 M END > (BBV-00013809) BBV-00013809 > (BBV-00013809) 2000 $$$$ -ISIS- 02101918162D 16 17 0 0 0 0 0 0 0 0999 V2000 4.0250 2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0250 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 1.1958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.3042 2.8583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7375 1.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 3.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 1.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 2.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 2.4333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 6 1 0 0 0 0 6 4 1 0 0 0 0 7 2 2 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 3 1 0 0 0 0 11 5 2 0 0 0 0 12 6 2 0 0 0 0 13 10 1 0 0 0 0 14 15 2 0 0 0 0 15 12 1 0 0 0 0 16 8 1 0 0 0 0 5 3 1 0 0 0 0 14 11 1 0 0 0 0 M END > (BBV-00013980) BBV-00013980 > (BBV-00013980) 900 $$$$ -ISIS- 02101918162D 14 15 0 0 0 0 0 0 0 0999 V2000 0.9875 -0.6875 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.5667 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 0.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 1.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 -1.8792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5708 1.1208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 6 1 0 0 0 0 8 3 2 0 0 0 0 9 2 2 0 0 0 0 10 5 2 0 0 0 0 11 7 2 0 0 0 0 12 6 1 0 0 0 0 13 1 1 0 0 0 0 14 11 1 0 0 0 0 3 5 1 0 0 0 0 8 11 1 0 0 0 0 M END > (BBV-00016936) BBV-00016936 > (BBV-00016936) 960 $$$$ -ISIS- 02101918162D 15 16 0 0 0 0 0 0 0 0999 V2000 5.8250 -3.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.5875 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5625 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5667 -2.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9000 -2.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2125 0.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 -4.8167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.2375 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -0.8792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 -5.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 6 1 0 0 0 0 8 3 2 0 0 0 0 9 2 2 0 0 0 0 10 5 2 0 0 0 0 11 7 2 0 0 0 0 12 6 1 0 0 0 0 13 1 1 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 5 3 1 0 0 0 0 11 8 1 0 0 0 0 M END > (BBV-00016937) BBV-00016937 > (BBV-00016937) 1000 $$$$ -ISIS- 02101918162D 17 19 0 0 0 0 0 0 0 0999 V2000 -1.2458 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5375 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 -0.2167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.2458 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 -1.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -2.6917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 1.4333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 -1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6750 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2583 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2583 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3875 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 4 1 0 0 0 0 7 15 1 0 0 0 0 8 2 2 0 0 0 0 9 4 2 0 0 0 0 10 6 2 0 0 0 0 11 5 1 0 0 0 0 12 11 2 0 0 0 0 13 3 1 0 0 0 0 14 3 1 0 0 0 0 15 14 1 0 0 0 0 16 13 1 0 0 0 0 17 11 1 0 0 0 0 9 12 1 0 0 0 0 10 8 1 0 0 0 0 16 7 1 0 0 0 0 M END > (BBV-00038696) BBV-00038696 > (BBV-00038696) 1000 $$$$ -ISIS- 02101918162D 12 12 0 0 0 0 0 0 0 0999 V2000 2.7917 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 0.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 -1.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 0.2333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3625 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.0583 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3625 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 4 1 0 0 0 0 8 5 1 0 0 0 0 9 5 2 0 0 0 0 10 8 2 0 0 0 0 11 9 1 0 0 0 0 12 11 2 0 0 0 0 12 10 1 0 0 0 0 M END > (BBV-00040059) BBV-00040059 > (BBV-00040059) 5000 $$$$ -ISIS- 02101918162D 12 13 0 0 0 0 0 0 0 0999 V2000 5.7917 6.1792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 5.4667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 5.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 5.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6417 6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2542 6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6417 7.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2542 7.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8792 6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8792 7.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 6 2 0 0 0 0 9 6 1 0 0 0 0 10 9 2 0 0 0 0 11 8 1 0 0 0 0 12 10 1 0 0 0 0 5 3 1 0 0 0 0 12 11 2 0 0 0 0 M END > (BBV-00048882) BBV-00048882 > (BBV-00048882) 4500 $$$$ -ISIS- 02101918162D 18 20 0 0 0 0 0 0 0 0999 V2000 -0.7125 -0.0667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1500 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -0.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 0.9458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3792 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 1.9458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 -1.7292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 1.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 6 2 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 2 2 0 0 0 0 12 10 2 0 0 0 0 13 3 2 0 0 0 0 14 1 1 0 0 0 0 15 10 1 0 0 0 0 16 12 1 0 0 0 0 17 15 2 0 0 0 0 18 17 1 0 0 0 0 5 4 1 0 0 0 0 12 7 1 0 0 0 0 18 16 2 0 0 0 0 M END > (BBV-00052122) BBV-00052122 > (BBV-00052122) 1070 $$$$ -ISIS- 02101918162D 18 20 0 0 0 0 0 0 0 0999 V2000 6.5042 -5.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 -5.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -5.2667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9417 -4.2250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2417 -4.5917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 -5.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7417 -3.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4542 -6.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -2.9750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6417 -5.4667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 -7.1375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -6.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -7.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -7.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 8 1 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 3 2 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 10 2 0 0 0 0 12 6 2 0 0 0 0 13 8 1 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 16 10 1 0 0 0 0 17 16 2 0 0 0 0 18 17 1 0 0 0 0 9 7 2 0 0 0 0 5 6 1 0 0 0 0 14 18 2 0 0 0 0 M END > (BBV-00052445) BBV-00052445 > (BBV-00052445) 1000 $$$$ -ISIS- 02101918162D 19 20 0 0 0 0 0 0 0 0999 V2000 5.1042 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -4.1000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3917 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -2.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 -4.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -3.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1125 -3.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -4.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -2.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -3.6875 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5292 -4.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -1.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -1.6167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -2.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -2.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 6 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 8 1 1 0 0 0 0 9 1 1 0 0 0 0 10 5 2 0 0 0 0 11 4 2 0 0 0 0 12 2 1 0 0 0 0 13 2 2 0 0 0 0 14 11 1 0 0 0 0 15 8 2 0 0 0 0 16 3 1 0 0 0 0 17 8 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 4 5 1 0 0 0 0 7 14 2 0 0 0 0 M CHG 2 2 1 12 -1 M END > (BBV-00059103) BBV-00059103 > (BBV-00059103) 1000 $$$$ -ISIS- 02101918162D 7 7 0 0 0 0 0 0 0 0999 V2000 7.4917 -6.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4917 -7.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 -6.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5292 -5.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7750 -7.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2750 -7.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7625 -7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 7 6 1 0 0 0 0 M END > (BBV-00075419) BBV-00075419 > (BBV-00075419) 1000 $$$$ -ISIS- 02101918162D 10 9 0 0 0 0 0 0 0 0999 V2000 6.0792 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -6.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0792 -5.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -6.4917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7917 -7.3167 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -3.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 6 1 0 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 M END > (BBV-00079231) BBV-00079231 > (BBV-00079231) 5000 $$$$ -ISIS- 02101918162D 7 6 0 0 0 0 0 0 0 0999 V2000 0.1042 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6083 -3.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -3.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9625 -2.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -3.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 M END > (BBV-00084158) BBV-00084158 > (BBV-00084158) 4000 $$$$ -ISIS- 02101918162D 7 7 0 0 0 0 0 0 0 0999 V2000 2.1917 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -3.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -4.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -3.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9125 -4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -4.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 6 7 1 0 0 0 0 M END > (BBV-00084881) BBV-00084881 > (BBV-00084881) 1000 $$$$ -ISIS- 02101918162D 13 14 0 0 0 0 0 0 0 0999 V2000 1.1500 -1.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -3.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4417 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -3.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -3.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -2.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 -2.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -1.6250 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 4 2 0 0 0 0 7 4 1 0 0 0 0 8 3 2 0 0 0 0 9 6 1 0 0 0 0 10 7 2 0 0 0 0 11 10 1 0 0 0 0 12 10 1 0 0 0 0 13 5 1 0 0 0 0 2 6 1 0 0 0 0 11 9 2 0 0 0 0 M END > (BBV-00085435) BBV-00085435 > (BBV-00085435) 1000 $$$$ -ISIS- 02101918162D 20 20 0 0 0 0 0 0 0 0999 V2000 4.2167 -0.1667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.8792 -0.6542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4292 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -1.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 0.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 -1.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -1.1792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4667 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -0.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 0.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 -1.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1625 -3.1917 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2583 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 2 4 1 1 0 0 0 5 11 1 0 0 0 0 6 10 1 0 0 0 0 7 3 1 0 0 0 0 8 3 2 0 0 0 0 9 4 2 0 0 0 0 10 5 1 1 0 0 0 11 7 1 0 0 0 0 12 5 2 0 0 0 0 13 1 1 0 0 0 0 14 4 1 0 0 0 0 16 2 1 0 0 0 0 17 13 1 0 0 0 0 18 6 1 0 0 0 0 19 10 1 0 0 0 0 20 19 1 0 0 0 0 16 17 1 0 0 0 0 20 18 1 0 0 0 0 M END > (BBV-00090986) BBV-00090986 > (BBV-00090986) 2550 > (BBV-00090986) HCl $$$$ -ISIS- 02101918162D 12 14 0 0 0 0 0 0 0 0999 V2000 0.1000 -2.7042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6208 -3.7542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8417 -3.8375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4583 -4.2167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6208 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2583 -4.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -1.8917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -3.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 7 1 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 1 1 0 0 0 0 11 3 1 0 0 0 0 12 2 1 0 0 0 0 4 11 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 M END > (BC-0240) BC-0240 > (BC-0240) 2500 > (BC-0240) HCl $$$$ -ISIS- 02101918162D 12 11 0 0 0 0 0 0 0 0999 V2000 6.8333 -7.1958 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 7.5833 -7.1833 0.0000 S 0 5 0 0 0 0 0 0 0 0 0 0 6.0042 -7.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8333 -6.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8333 -8.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5875 -6.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5875 -7.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -6.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -7.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -7.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5083 -7.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4083 -7.8167 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 3 2 0 0 0 0 7 3 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 10 8 2 0 0 0 0 M CHG 2 2 -1 12 1 M END > (BC-2992) BC-2992 > (BC-2992) 5000 > (BC-2992) K+ $$$$ -ISIS- 02101918162D 10 9 0 0 0 0 0 0 0 0999 V2000 6.7500 -7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -7.4750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0292 -7.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -6.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -7.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 -7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4667 -8.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1792 -7.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 -7.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 3 2 0 0 0 0 6 5 1 0 0 0 0 7 6 2 0 0 0 0 8 2 1 0 0 0 0 9 2 1 0 0 0 0 10 7 1 0 0 0 0 M END > (CS22348) CS22348 > (CS22348) 3000 $$$$ -ISIS- 02101918162D 8 7 0 0 0 0 0 0 0 0999 V2000 4.8167 -3.1917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 -3.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1750 -4.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -4.6250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4125 -5.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4167 -6.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -6.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 -7.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 3 0 0 0 0 3 4 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 7 1 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 M END > (CS5132) CS5132 > (CS5132) 1600 > (CS5132) HCl $$$$ -ISIS- 02101918162D 13 13 0 0 0 0 0 0 0 0999 V2000 3.1375 0.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3458 0.1042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3083 1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -0.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6917 1.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 -1.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0958 1.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2625 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 2 0 0 0 0 6 3 2 0 0 0 0 7 4 2 0 0 0 0 8 3 1 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 9 1 0 0 0 0 12 8 1 0 0 0 0 13 12 1 0 0 0 0 11 10 1 0 0 0 0 M END > (MSC-0387) MSC-0387 > (MSC-0387) 1400 $$$$ -ISIS- 02101918162D 8 8 0 0 0 0 0 0 0 0999 V2000 4.6042 -6.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0333 -6.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3208 -6.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0333 -5.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3208 -5.1625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3208 -7.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -5.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 6 1 0 0 0 0 6 4 1 0 0 0 0 7 3 2 0 0 0 0 8 5 1 0 0 0 0 2 5 2 0 0 0 0 M END > (OWH-BC-0740) OWH-BC-0740 > (OWH-BC-0740) 2000 $$$$ -ISIS- 02101918162D 18 20 0 0 0 0 0 0 0 0999 V2000 0.1167 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 0.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 1.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1583 -2.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 1.3208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2583 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2583 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6250 2.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1208 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1208 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 2.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 2 2 0 0 0 0 8 3 2 0 0 0 0 9 13 2 0 0 0 0 10 6 1 0 0 0 0 11 5 1 0 0 0 0 12 4 1 0 0 0 0 13 10 1 0 0 0 0 14 18 2 0 0 0 0 15 10 2 0 0 0 0 16 12 2 0 0 0 0 17 11 2 0 0 0 0 18 15 1 0 0 0 0 5 4 2 0 0 0 0 17 16 1 0 0 0 0 9 14 1 0 0 0 0 M END > (ST024375) ST024375 > (ST024375) 1000 $$$$ -ISIS- 02101918162D 26 29 0 0 0 0 0 0 0 0999 V2000 -3.0000 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5833 1.1958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7833 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 1.7708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.3458 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1625 1.0958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3208 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4208 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 1.2333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.0000 1.3708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 2.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 1.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7625 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8625 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 14 1 0 0 0 0 11 10 1 0 0 0 0 12 6 1 0 0 0 0 13 4 2 0 0 0 0 14 12 1 0 0 0 0 15 10 2 0 0 0 0 16 5 1 0 0 0 0 17 16 1 0 0 0 0 18 17 2 0 0 0 0 19 8 1 0 0 0 0 20 9 1 0 0 0 0 21 11 1 0 0 0 0 22 11 1 0 0 0 0 23 19 1 0 0 0 0 24 21 1 0 0 0 0 25 22 1 0 0 0 0 26 25 1 0 0 0 0 9 7 1 0 0 0 0 23 20 1 0 0 0 0 3 6 2 0 0 0 0 24 26 1 0 0 0 0 M END > (STT-00002759) STT-00002759 > (STT-00002759) 1000 $$$$ -ISIS- 02101918162D 22 24 0 0 0 0 0 0 0 0999 V2000 2.9125 0.6458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.1667 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 1.9208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0417 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 1.6875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 -0.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 0.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 1.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 0.0583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3625 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5375 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -2.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 -2.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -3.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 2 2 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 8 2 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 7 2 0 0 0 0 16 7 1 0 0 0 0 17 18 1 0 0 0 0 18 16 2 0 0 0 0 19 15 1 0 0 0 0 20 17 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 5 3 1 0 0 0 0 19 17 2 0 0 0 0 14 13 2 0 0 0 0 M END > (STT-00008793) STT-00008793 > (STT-00008793) 3000 $$$$ -ISIS- 02101918162D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.1625 -1.9375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.4958 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 -1.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5750 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -1.7042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 -3.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 2 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 7 2 0 0 0 0 10 5 1 0 0 0 0 11 6 2 0 0 0 0 12 6 1 0 0 0 0 13 12 2 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 5 4 1 0 0 0 0 15 14 2 0 0 0 0 M END > (STT-00011506) STT-00011506 > (STT-00011506) 1750 $$$$ -ISIS- 02101918162D 27 30 0 0 0 0 0 0 0 0999 V2000 5.4000 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -3.6167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4000 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -3.2000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6792 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 -2.3792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.2500 -3.6167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8167 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 -5.6875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5375 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -4.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6667 -1.1375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9667 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -4.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1042 -6.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6792 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8292 -5.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 4 1 0 0 0 0 8 5 2 0 0 0 0 9 15 1 0 0 0 0 10 3 1 0 0 0 0 11 4 1 0 0 0 0 12 7 1 0 0 0 0 13 7 1 0 0 0 0 14 19 1 0 0 0 0 15 13 1 0 0 0 0 16 12 1 0 0 0 0 17 2 1 0 0 0 0 18 8 1 0 0 0 0 19 11 2 0 0 0 0 20 6 1 0 0 0 0 21 9 1 0 0 0 0 22 10 2 0 0 0 0 23 11 1 0 0 0 0 24 27 1 0 0 0 0 25 20 2 0 0 0 0 26 21 1 0 0 0 0 27 23 2 0 0 0 0 6 3 2 0 0 0 0 9 16 1 0 0 0 0 22 25 1 0 0 0 0 24 14 2 0 0 0 0 M END > (STT-00012600) STT-00012600 > (STT-00012600) 1010 $$$$ -ISIS- 02101918162D 14 16 0 0 0 0 0 0 0 0999 V2000 5.3292 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -4.0042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -3.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -3.5625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9375 -1.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2250 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -2.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 9 1 0 0 0 0 9 6 2 0 0 0 0 10 7 2 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 4 5 2 0 0 0 0 8 7 1 0 0 0 0 14 13 1 0 0 0 0 M END > (STT-00016132) STT-00016132 > (STT-00016132) 3000 $$$$ -ISIS- 02101918162D 22 24 0 0 0 0 0 0 0 0999 V2000 -1.9083 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 -0.6000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3458 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 0.1458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3458 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -1.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -1.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9333 2.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 1.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1583 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1583 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9708 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9708 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 2.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 7 2 0 0 0 0 12 9 2 0 0 0 0 13 8 2 0 0 0 0 14 10 1 0 0 0 0 15 12 1 0 0 0 0 16 8 1 0 0 0 0 17 4 1 0 0 0 0 18 6 1 0 0 0 0 19 16 1 0 0 0 0 20 17 1 0 0 0 0 21 18 1 0 0 0 0 22 19 1 0 0 0 0 4 6 2 0 0 0 0 20 21 1 0 0 0 0 15 14 2 0 0 0 0 M END > (STT-00019912) STT-00019912 > (STT-00019912) 1000 $$$$ -ISIS- 02101918162D 14 15 0 0 0 0 0 0 0 0999 V2000 2.5792 1.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0625 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 0.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -0.3125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8875 0.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 2.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 3.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 6 2 0 0 0 0 10 11 2 0 0 0 0 11 9 1 0 0 0 0 12 8 2 0 0 0 0 13 10 1 0 0 0 0 14 13 1 0 0 0 0 4 5 1 0 0 0 0 10 12 1 0 0 0 0 M END > (STT-00024748) STT-00024748 > (STT-00024748) 2000 $$$$ -ISIS- 02101918162D 16 17 0 0 0 0 0 0 0 0999 V2000 2.8417 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -1.9042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.8417 -0.8250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -2.1417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -2.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9417 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -4.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 5 1 0 0 0 0 10 11 1 0 0 0 0 11 8 1 0 0 0 0 12 7 1 0 0 0 0 13 7 2 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 14 2 0 0 0 0 6 5 2 0 0 0 0 15 16 1 0 0 0 0 M END > (STT-00024788) STT-00024788 > (STT-00024788) 1000 > (STT-00024788) HBr $$$$ -ISIS- 02101918162D 13 14 0 0 0 0 0 0 0 0999 V2000 2.9792 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 -2.3250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4917 -0.9875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7125 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 -1.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9917 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -2.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8583 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 1 1 0 0 0 0 8 5 2 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 5 4 1 0 0 0 0 10 9 2 0 0 0 0 M END > (STT-00028724) STT-00028724 > (STT-00028724) 3000 $$$$ -ISIS- 02101918162D 31 36 0 0 0 0 0 0 0 0999 V2000 -0.6208 0.8458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.6208 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 0.1458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 1.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 0.2208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 1.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 2.2125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5792 1.0833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 3.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5625 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 2.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 2.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4708 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 3 2 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 9 2 0 0 0 0 12 2 1 0 0 0 0 13 10 1 0 0 0 0 14 6 2 0 0 0 0 15 22 1 0 0 0 0 16 10 1 0 0 0 0 17 26 1 0 0 0 0 18 9 1 0 0 0 0 19 11 1 0 0 0 0 20 12 1 0 0 0 0 21 16 1 0 0 0 0 22 21 1 0 0 0 0 23 13 1 0 0 0 0 24 15 1 0 0 0 0 25 15 1 0 0 0 0 26 25 1 0 0 0 0 27 24 1 0 0 0 0 28 18 1 0 0 0 0 29 28 1 0 0 0 0 30 20 2 0 0 0 0 31 23 2 0 0 0 0 4 5 1 0 0 0 0 13 12 2 0 0 0 0 11 8 1 0 0 0 0 31 30 1 0 0 0 0 19 29 1 0 0 0 0 27 17 1 0 0 0 0 M END > (STT-00028757) STT-00028757 > (STT-00028757) 1300 $$$$ -ISIS- 02101918162D 26 30 0 0 0 0 0 0 0 0999 V2000 -0.5333 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -0.7542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -0.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 0.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 0.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 -0.3667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1000 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 8 1 0 0 0 0 10 3 1 0 0 0 0 11 10 1 0 0 0 0 12 5 1 0 0 0 0 13 4 1 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 16 12 1 0 0 0 0 17 16 1 0 0 0 0 18 11 2 0 0 0 0 19 9 1 0 0 0 0 20 18 1 0 0 0 0 21 14 2 0 0 0 0 22 20 2 0 0 0 0 23 15 2 0 0 0 0 24 17 1 0 0 0 0 25 21 1 0 0 0 0 26 25 2 0 0 0 0 4 6 1 0 0 0 0 7 9 2 0 0 0 0 13 17 1 0 0 0 0 15 22 1 0 0 0 0 26 23 1 0 0 0 0 M END > (STT-00028816) STT-00028816 > (STT-00028816) 940 $$$$ -ISIS- 02101918162D 33 36 0 0 0 0 0 0 0 0999 V2000 -0.8958 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 -0.9542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 0.2833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 -0.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 1.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 3.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 3.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 0.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5708 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1125 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 1.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 3.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1125 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 3.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 7 2 2 0 0 0 0 8 19 2 0 0 0 0 9 18 1 0 0 0 0 10 5 1 0 0 0 0 11 2 1 0 0 0 0 12 9 1 0 0 0 0 13 8 1 0 0 0 0 14 11 1 0 0 0 0 15 8 1 0 0 0 0 16 3 1 0 0 0 0 17 10 2 0 0 0 0 18 14 2 0 0 0 0 19 14 1 0 0 0 0 20 12 2 0 0 0 0 21 13 2 0 0 0 0 22 16 1 0 0 0 0 23 16 2 0 0 0 0 24 13 1 0 0 0 0 25 12 1 0 0 0 0 26 22 2 0 0 0 0 27 23 1 0 0 0 0 28 27 2 0 0 0 0 29 25 1 0 0 0 0 30 24 1 0 0 0 0 31 28 1 0 0 0 0 32 30 1 0 0 0 0 33 29 1 0 0 0 0 6 4 1 0 0 0 0 7 17 1 0 0 0 0 26 28 1 0 0 0 0 9 15 2 0 0 0 0 M END > (STT-00028945) STT-00028945 > (STT-00028945) 1140 $$$$ -ISIS- 02101918162D 28 31 0 0 0 0 0 0 0 0999 V2000 -0.9208 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -0.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -0.3792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -1.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 1.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5333 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 9 2 0 0 0 0 11 3 1 0 0 0 0 12 10 1 0 0 0 0 13 7 2 0 0 0 0 14 8 2 0 0 0 0 15 9 1 0 0 0 0 16 17 1 0 0 0 0 17 15 2 0 0 0 0 18 8 1 0 0 0 0 19 12 2 0 0 0 0 20 11 2 0 0 0 0 21 11 1 0 0 0 0 22 16 2 0 0 0 0 23 18 1 0 0 0 0 24 19 1 0 0 0 0 25 21 2 0 0 0 0 26 20 1 0 0 0 0 27 22 1 0 0 0 0 28 25 1 0 0 0 0 6 3 2 0 0 0 0 12 16 1 0 0 0 0 28 26 2 0 0 0 0 24 27 2 0 0 0 0 M END > (STT-00028971) STT-00028971 > (STT-00028971) 2000 $$$$ -ISIS- 02101918162D 29 33 0 0 0 0 0 0 0 0999 V2000 -2.2125 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 -0.0042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6333 -0.3292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -0.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2625 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -0.6000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1042 0.3500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3000 -0.4500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6000 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 0.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 1.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 0.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0458 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6708 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1833 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5625 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6333 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 8 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 3 1 0 0 0 0 12 3 1 0 0 0 0 13 10 1 0 0 0 0 14 12 1 0 0 0 0 15 11 1 0 0 0 0 16 6 1 0 0 0 0 17 8 2 0 0 0 0 18 9 2 0 0 0 0 19 14 1 0 0 0 0 20 15 1 0 0 0 0 21 14 1 0 0 0 0 22 9 1 0 0 0 0 23 16 2 0 0 0 0 24 16 1 0 0 0 0 25 22 1 0 0 0 0 26 25 1 0 0 0 0 27 24 2 0 0 0 0 28 23 1 0 0 0 0 29 27 1 0 0 0 0 6 5 2 0 0 0 0 21 15 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 29 28 2 0 0 0 0 M END > (STT-00028984) STT-00028984 > (STT-00028984) 900 $$$$ -ISIS- 02101918162D 27 30 0 0 0 0 0 0 0 0999 V2000 -0.1500 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 0.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 0.9125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 0.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 1.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 2.6500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9500 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 2.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 2.9583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 2.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8708 2.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 7 2 2 0 0 0 0 8 5 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 8 2 0 0 0 0 12 13 1 0 0 0 0 13 17 2 0 0 0 0 14 10 1 0 0 0 0 15 10 2 0 0 0 0 16 20 2 0 0 0 0 17 21 1 0 0 0 0 18 9 1 0 0 0 0 19 23 2 0 0 0 0 20 18 1 0 0 0 0 21 18 2 0 0 0 0 22 14 2 0 0 0 0 23 15 1 0 0 0 0 24 19 1 0 0 0 0 25 12 1 0 0 0 0 26 12 1 0 0 0 0 27 12 1 0 0 0 0 6 4 1 0 0 0 0 11 7 1 0 0 0 0 19 22 1 0 0 0 0 16 13 1 0 0 0 0 M END > (STT-00029002) STT-00029002 > (STT-00029002) 1170 $$$$ -ISIS- 02101918162D 29 31 0 0 0 0 0 0 0 0999 V2000 0.0167 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -0.7167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 -0.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 -2.6042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3458 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -1.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 1.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -2.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -3.0792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 -2.1292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 0.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 -0.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 14 1 0 0 0 0 11 5 1 0 0 0 0 12 7 2 0 0 0 0 13 8 2 0 0 0 0 14 17 1 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 21 1 0 0 0 0 18 10 1 0 0 0 0 19 10 1 0 0 0 0 20 8 1 0 0 0 0 21 16 2 0 0 0 0 22 15 1 0 0 0 0 23 11 2 0 0 0 0 24 11 1 0 0 0 0 25 20 1 0 0 0 0 26 25 1 0 0 0 0 27 24 2 0 0 0 0 28 23 1 0 0 0 0 29 27 1 0 0 0 0 5 4 2 0 0 0 0 17 22 2 0 0 0 0 29 28 2 0 0 0 0 M END > (STT-00029007) STT-00029007 > (STT-00029007) 940 $$$$ -ISIS- 02101918162D 29 32 0 0 0 0 0 0 0 0999 V2000 0.4875 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -1.0792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.5625 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 -0.0042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7125 -0.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 -1.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -0.6000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 0.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -2.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 -2.8292 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 2 0 0 0 0 5 11 1 0 0 0 0 6 7 2 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 9 2 0 0 0 0 11 16 1 0 0 0 0 12 17 2 0 0 0 0 13 11 2 0 0 0 0 14 1 1 0 0 0 0 15 3 1 0 0 0 0 16 18 1 0 0 0 0 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0 0 0 0 0 1.0667 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -0.8042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 0.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8458 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 -0.7375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1542 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3958 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 6 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 10 1 0 0 0 0 8 16 1 0 0 0 0 9 1 1 0 0 0 0 10 8 2 0 0 0 0 11 9 2 0 0 0 0 12 2 1 0 0 0 0 13 8 1 0 0 0 0 14 13 2 0 0 0 0 15 4 1 0 0 0 0 16 24 1 0 0 0 0 17 7 1 0 0 0 0 18 9 1 0 0 0 0 19 3 1 0 0 0 0 20 17 1 0 0 0 0 21 6 2 0 0 0 0 22 11 1 0 0 0 0 23 20 1 0 0 0 0 24 15 1 0 0 0 0 25 20 2 0 0 0 0 26 23 1 0 0 0 0 27 25 1 0 0 0 0 28 16 2 0 0 0 0 29 10 1 0 0 0 0 30 18 1 0 0 0 0 31 30 1 0 0 0 0 32 14 1 0 0 0 0 33 19 2 0 0 0 0 34 19 1 0 0 0 0 35 31 1 0 0 0 0 36 34 2 0 0 0 0 37 33 1 0 0 0 0 38 36 1 0 0 0 0 11 12 1 0 0 0 0 5 4 2 0 0 0 0 22 31 1 0 0 0 0 37 38 2 0 0 0 0 7 14 1 0 0 0 0 26 27 2 0 0 0 0 M END > (STT-00029116) STT-00029116 > (STT-00029116) 930 $$$$ -ISIS- 02101918162D 36 40 0 0 0 0 0 0 0 0999 V2000 -1.4625 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -1.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -0.4042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.6833 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 0.0958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.6167 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -1.2292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 -0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 -0.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 0.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 -0.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 10 1 0 0 0 0 9 19 1 0 0 0 0 10 9 2 0 0 0 0 11 9 1 0 0 0 0 12 7 1 0 0 0 0 13 11 2 0 0 0 0 14 2 1 0 0 0 0 15 7 2 0 0 0 0 16 12 1 0 0 0 0 17 12 2 0 0 0 0 18 6 1 0 0 0 0 19 26 1 0 0 0 0 20 8 1 0 0 0 0 21 16 1 0 0 0 0 22 20 1 0 0 0 0 23 4 2 0 0 0 0 24 17 1 0 0 0 0 25 22 1 0 0 0 0 26 18 1 0 0 0 0 27 5 1 0 0 0 0 28 22 2 0 0 0 0 29 25 1 0 0 0 0 30 28 1 0 0 0 0 31 19 2 0 0 0 0 32 27 1 0 0 0 0 33 32 2 0 0 0 0 34 10 1 0 0 0 0 35 13 1 0 0 0 0 36 21 1 0 0 0 0 15 14 1 0 0 0 0 3 6 2 0 0 0 0 21 24 2 0 0 0 0 8 13 1 0 0 0 0 29 30 2 0 0 0 0 M END > (STT-00029117) STT-00029117 > (STT-00029117) 1000 $$$$ -ISIS- 02101918162D 26 30 0 0 0 0 0 0 0 0999 V2000 0.8167 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -1.5292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -1.6792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -0.9167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 0.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 0.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2625 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 8 1 0 0 0 0 10 3 1 0 0 0 0 11 12 1 0 0 0 0 12 15 2 0 0 0 0 13 19 1 0 0 0 0 14 11 1 0 0 0 0 15 10 1 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 18 6 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 21 9 1 0 0 0 0 22 18 1 0 0 0 0 23 18 2 0 0 0 0 24 23 1 0 0 0 0 25 22 2 0 0 0 0 26 24 2 0 0 0 0 6 4 1 0 0 0 0 7 9 2 0 0 0 0 25 26 1 0 0 0 0 13 11 2 0 0 0 0 17 16 1 0 0 0 0 M END > (STT-00029136) STT-00029136 > (STT-00029136) 1400 $$$$ -ISIS- 02101918162D 23 23 0 0 0 0 0 0 0 0999 V2000 -1.8625 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5458 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 -0.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -0.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 -0.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -1.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -1.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8458 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 1.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3208 -1.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9208 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6833 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0208 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 8 1 0 0 0 0 11 7 2 0 0 0 0 12 9 2 0 0 0 0 13 8 2 0 0 0 0 14 10 1 0 0 0 0 15 14 2 0 0 0 0 16 3 1 0 0 0 0 17 7 1 0 0 0 0 18 9 1 0 0 0 0 19 14 1 0 0 0 0 20 18 1 0 0 0 0 21 17 1 0 0 0 0 22 21 1 0 0 0 0 23 20 1 0 0 0 0 3 4 2 0 0 0 0 M END > (STT-00029181) STT-00029181 > (STT-00029181) 3000 $$$$ -ISIS- 02101918162D 18 20 0 0 0 0 0 0 0 0999 V2000 -1.3958 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 -0.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 0.4708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.0333 -0.4167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 1.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 0.8125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3958 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6125 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 2.6708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 2 0 0 0 0 9 5 2 0 0 0 0 10 4 1 0 0 0 0 11 2 2 0 0 0 0 12 6 1 0 0 0 0 13 10 2 0 0 0 0 14 10 1 0 0 0 0 15 16 1 0 0 0 0 16 14 2 0 0 0 0 17 13 1 0 0 0 0 18 15 1 0 0 0 0 7 8 1 0 0 0 0 6 9 1 0 0 0 0 15 17 2 0 0 0 0 M END > (STT-00029187) STT-00029187 > (STT-00029187) 1500 $$$$ -ISIS- 02101918162D 37 41 0 0 0 0 0 0 0 0999 V2000 2.0292 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -0.1292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -0.9042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.0875 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4417 -0.1292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 1.0708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 1.0333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 -0.2042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 -1.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 2.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 0.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 1.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -0.9667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7708 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1125 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 15 1 0 0 0 0 8 7 2 0 0 0 0 9 1 1 0 0 0 0 10 9 2 0 0 0 0 11 2 1 0 0 0 0 12 7 1 0 0 0 0 13 8 1 0 0 0 0 14 12 1 0 0 0 0 15 18 1 0 0 0 0 16 8 1 0 0 0 0 17 6 1 0 0 0 0 18 25 1 0 0 0 0 19 9 1 0 0 0 0 20 4 2 0 0 0 0 21 10 1 0 0 0 0 22 16 2 0 0 0 0 23 5 1 0 0 0 0 24 18 2 0 0 0 0 25 17 1 0 0 0 0 26 23 1 0 0 0 0 27 26 2 0 0 0 0 28 16 1 0 0 0 0 29 19 1 0 0 0 0 30 13 1 0 0 0 0 31 29 1 0 0 0 0 32 14 1 0 0 0 0 33 28 1 0 0 0 0 34 31 1 0 0 0 0 35 30 1 0 0 0 0 36 32 1 0 0 0 0 37 36 1 0 0 0 0 11 10 1 0 0 0 0 6 3 2 0 0 0 0 31 21 1 0 0 0 0 13 14 2 0 0 0 0 37 35 1 0 0 0 0 M END > (STT-00029245) STT-00029245 > (STT-00029245) 1440 $$$$ -ISIS- 02101918162D 35 39 0 0 0 0 0 0 0 0999 V2000 -2.6208 -0.8542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.5458 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -0.1375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5458 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2625 -2.3792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9208 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 0.7625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 1.1833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 0.7625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5625 0.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5458 -1.9792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.9833 -2.7792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.6625 -2.6542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 -2.7792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 5 2 0 0 0 0 5 15 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 14 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 10 2 0 0 0 0 12 1 1 0 0 0 0 13 8 1 0 0 0 0 14 12 2 0 0 0 0 15 19 1 0 0 0 0 16 21 2 0 0 0 0 17 15 2 0 0 0 0 18 2 1 0 0 0 0 19 23 1 0 0 0 0 20 25 1 0 0 0 0 21 17 1 0 0 0 0 22 12 1 0 0 0 0 23 18 1 0 0 0 0 24 18 2 0 0 0 0 25 22 2 0 0 0 0 26 13 1 0 0 0 0 27 13 1 0 0 0 0 28 13 1 0 0 0 0 29 3 1 0 0 0 0 30 20 1 0 0 0 0 31 6 1 0 0 0 0 32 10 1 0 0 0 0 33 11 1 0 0 0 0 34 32 1 0 0 0 0 35 34 1 0 0 0 0 2 7 1 0 0 0 0 8 20 2 0 0 0 0 4 16 1 0 0 0 0 11 9 1 0 0 0 0 33 35 1 0 0 0 0 M END > (STT-00029311) STT-00029311 > (STT-00029311) 900 $$$$ -ISIS- 02101918162D 26 29 0 0 0 0 0 0 0 0999 V2000 -0.4125 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 0.0958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 -0.8875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1125 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 2.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 2.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 2.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -2.4042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 3.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4708 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 6 2 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 11 1 0 0 0 0 10 7 1 0 0 0 0 11 10 2 0 0 0 0 12 15 1 0 0 0 0 13 8 2 0 0 0 0 14 8 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 17 18 1 0 0 0 0 18 14 2 0 0 0 0 19 13 1 0 0 0 0 20 17 1 0 0 0 0 21 5 1 0 0 0 0 22 6 1 0 0 0 0 23 9 1 0 0 0 0 24 12 1 0 0 0 0 25 21 2 0 0 0 0 26 25 1 0 0 0 0 3 4 1 0 0 0 0 26 22 2 0 0 0 0 9 12 2 0 0 0 0 19 17 2 0 0 0 0 M END > (STT-00029352) STT-00029352 > (STT-00029352) 1020 $$$$ -ISIS- 02101918162D 26 28 0 0 0 0 0 0 0 0999 V2000 -0.1333 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 -0.7292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1500 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 0.4458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 1.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 0.1708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6292 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -3.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 -3.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 -4.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 8 1 0 0 0 0 10 6 2 0 0 0 0 11 9 1 0 0 0 0 12 7 1 0 0 0 0 13 3 1 0 0 0 0 14 20 2 0 0 0 0 15 5 1 0 0 0 0 16 14 1 0 0 0 0 17 11 1 0 0 0 0 18 11 2 0 0 0 0 19 17 2 0 0 0 0 20 18 1 0 0 0 0 21 12 1 0 0 0 0 22 21 2 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 25 23 2 0 0 0 0 26 25 1 0 0 0 0 5 2 1 0 0 0 0 19 14 1 0 0 0 0 26 24 2 0 0 0 0 M END > (STT-00029379) STT-00029379 > (STT-00029379) 1300 $$$$ -ISIS- 02101918162D 31 33 0 0 0 0 0 0 0 0999 V2000 -0.1458 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 0.0625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1458 0.6833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 0.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 0.9833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -0.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 2.5625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 0.6000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.9458 0.3833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.7208 -0.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 -1.2167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 20 1 0 0 0 0 9 5 1 0 0 0 0 10 11 2 0 0 0 0 11 7 1 0 0 0 0 12 3 2 0 0 0 0 13 6 2 0 0 0 0 14 6 1 0 0 0 0 15 23 1 0 0 0 0 16 9 1 0 0 0 0 17 4 1 0 0 0 0 18 4 1 0 0 0 0 19 4 1 0 0 0 0 20 21 2 0 0 0 0 21 11 1 0 0 0 0 22 8 1 0 0 0 0 23 16 2 0 0 0 0 24 28 1 0 0 0 0 25 14 1 0 0 0 0 26 14 2 0 0 0 0 27 16 1 0 0 0 0 28 27 2 0 0 0 0 29 25 2 0 0 0 0 30 26 1 0 0 0 0 31 30 2 0 0 0 0 29 31 1 0 0 0 0 24 15 2 0 0 0 0 2 8 2 0 0 0 0 M END > (STT-00029404) STT-00029404 > (STT-00029404) 1110 $$$$ -ISIS- 02101918162D 35 37 0 0 0 0 0 0 0 0999 V2000 -0.1625 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3833 0.0625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1833 0.7458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 2.8458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4000 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 0.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 1.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 -0.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 0.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6833 -0.4792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 0.6000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.9208 0.3833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 3.3833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 3.1208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 2.2833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3625 -1.2167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 2 0 0 0 0 6 9 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 17 1 0 0 0 0 10 24 1 0 0 0 0 11 13 2 0 0 0 0 12 5 1 0 0 0 0 13 8 1 0 0 0 0 14 3 2 0 0 0 0 15 7 2 0 0 0 0 16 7 1 0 0 0 0 17 25 2 0 0 0 0 18 4 1 0 0 0 0 19 4 1 0 0 0 0 20 4 1 0 0 0 0 21 6 1 0 0 0 0 22 6 1 0 0 0 0 23 6 1 0 0 0 0 24 26 2 0 0 0 0 25 12 1 0 0 0 0 26 13 1 0 0 0 0 27 10 1 0 0 0 0 28 29 1 0 0 0 0 29 32 2 0 0 0 0 30 16 2 0 0 0 0 31 16 1 0 0 0 0 32 25 1 0 0 0 0 33 31 2 0 0 0 0 34 30 1 0 0 0 0 35 33 1 0 0 0 0 35 34 2 0 0 0 0 9 28 2 0 0 0 0 10 2 2 0 0 0 0 M END > (STT-00029405) STT-00029405 > (STT-00029405) 1340 $$$$ -ISIS- 02101918162D 23 24 0 0 0 0 0 0 0 0999 V2000 -0.0500 1.5000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -2.1500 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 0.0458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8958 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 0.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 2.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5708 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3875 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3125 0.4625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0125 -0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 -0.4000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3875 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 0.6625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4125 1.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -1.0375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 5 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 11 2 0 0 0 0 10 18 2 0 0 0 0 11 12 1 0 0 0 0 12 6 1 0 0 0 0 13 19 2 0 0 0 0 14 4 2 0 0 0 0 15 3 1 0 0 0 0 16 3 1 0 0 0 0 17 3 1 0 0 0 0 18 14 1 0 0 0 0 19 21 1 0 0 0 0 20 9 1 0 0 0 0 21 12 2 0 0 0 0 22 10 1 0 0 0 0 23 13 1 0 0 0 0 2 10 1 0 0 0 0 13 9 1 0 0 0 0 M END > (STT-00029516) STT-00029516 > (STT-00029516) 1100 $$$$ -ISIS- 02101918162D 22 22 0 0 0 0 0 0 0 0999 V2000 -0.7500 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 -1.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1208 0.1208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4833 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -0.7667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3333 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -2.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 0.5708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 0.3708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5708 -0.1292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -1.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 0.1708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.1208 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8458 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3333 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 2 1 0 0 0 0 8 14 2 0 0 0 0 9 4 2 0 0 0 0 10 5 2 0 0 0 0 11 3 1 0 0 0 0 12 3 1 0 0 0 0 13 3 1 0 0 0 0 14 7 1 0 0 0 0 15 4 1 0 0 0 0 16 5 1 0 0 0 0 17 16 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 14 1 0 0 0 0 21 15 1 0 0 0 0 22 21 1 0 0 0 0 6 18 2 0 0 0 0 M END > (STT-00029569) STT-00029569 > (STT-00029569) 1000 $$$$ -ISIS- 02101918162D 27 28 0 0 0 0 0 0 0 0999 V2000 -0.7208 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -1.2000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.0000 -1.5542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.5208 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 0.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -1.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -2.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 3.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 2.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 2.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 2 1 0 0 0 0 5 1 2 0 0 0 0 6 8 2 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 6 1 0 0 0 0 10 6 1 0 0 0 0 11 2 2 0 0 0 0 12 4 1 0 0 0 0 13 9 2 0 0 0 0 14 10 2 0 0 0 0 15 3 1 0 0 0 0 16 5 1 0 0 0 0 17 9 1 0 0 0 0 18 10 1 0 0 0 0 19 12 1 0 0 0 0 20 12 2 0 0 0 0 21 18 1 0 0 0 0 22 17 1 0 0 0 0 23 22 1 0 0 0 0 24 21 1 0 0 0 0 25 19 2 0 0 0 0 26 20 1 0 0 0 0 27 26 2 0 0 0 0 4 3 1 0 0 0 0 27 25 1 0 0 0 0 M END > (STT-00029573) STT-00029573 > (STT-00029573) 1000 $$$$ -ISIS- 02101918162D 29 31 0 0 0 0 0 0 0 0999 V2000 0.8000 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -0.8042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 0.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -0.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -0.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -1.7292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 2 0 0 0 0 13 9 2 0 0 0 0 14 9 1 0 0 0 0 15 3 1 0 0 0 0 16 7 2 0 0 0 0 17 8 2 0 0 0 0 18 8 1 0 0 0 0 19 10 1 0 0 0 0 20 11 1 0 0 0 0 21 12 1 0 0 0 0 22 15 2 0 0 0 0 23 15 1 0 0 0 0 24 19 1 0 0 0 0 25 20 1 0 0 0 0 26 21 1 0 0 0 0 27 22 1 0 0 0 0 28 23 2 0 0 0 0 29 28 1 0 0 0 0 6 3 2 0 0 0 0 10 11 2 0 0 0 0 27 29 2 0 0 0 0 M END > (STT-00029581) STT-00029581 > (STT-00029581) 1100 $$$$ -ISIS- 02101918162D 24 27 0 0 0 0 0 0 0 0999 V2000 -1.3458 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 -2.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -2.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -0.6000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4625 0.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4625 1.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 0.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 13 1 0 0 0 0 9 12 2 0 0 0 0 10 14 1 0 0 0 0 11 6 1 0 0 0 0 12 10 1 0 0 0 0 13 7 2 0 0 0 0 14 19 1 0 0 0 0 15 22 2 0 0 0 0 16 9 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 19 11 1 0 0 0 0 20 10 2 0 0 0 0 21 14 2 0 0 0 0 22 20 1 0 0 0 0 23 4 1 0 0 0 0 24 5 1 0 0 0 0 4 5 2 0 0 0 0 6 8 2 0 0 0 0 15 9 1 0 0 0 0 17 18 1 0 0 0 0 M END > (STT-00029614) STT-00029614 > (STT-00029614) 1300 $$$$ -ISIS- 02101918162D 27 31 0 0 0 0 0 0 0 0999 V2000 -1.1833 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -1.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 -2.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 -0.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -2.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 5 2 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 9 2 0 0 0 0 11 13 1 0 0 0 0 12 10 1 0 0 0 0 13 8 2 0 0 0 0 14 5 1 0 0 0 0 15 9 1 0 0 0 0 16 8 1 0 0 0 0 17 7 1 0 0 0 0 18 15 2 0 0 0 0 19 23 1 0 0 0 0 20 10 1 0 0 0 0 21 18 1 0 0 0 0 22 12 1 0 0 0 0 23 16 2 0 0 0 0 24 14 2 0 0 0 0 25 24 1 0 0 0 0 26 20 2 0 0 0 0 27 26 1 0 0 0 0 4 3 2 0 0 0 0 17 25 2 0 0 0 0 12 21 2 0 0 0 0 27 22 2 0 0 0 0 11 19 2 0 0 0 0 M END > (STT-00029658) STT-00029658 > (STT-00029658) 1100 $$$$ -ISIS- 02101918162D 37 41 0 0 0 0 0 0 0 0999 V2000 -1.4458 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 2.4000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.3667 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 0.8625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 1.4458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3458 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 0.1458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 1.6458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 3.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 3.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1458 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 3.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7000 -1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8625 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8042 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8833 0.5208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2000 3.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7083 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 4.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 4.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 6 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 16 1 0 0 0 0 10 9 1 0 0 0 0 11 1 1 0 0 0 0 12 10 1 0 0 0 0 13 11 2 0 0 0 0 14 2 1 0 0 0 0 15 7 1 0 0 0 0 16 22 1 0 0 0 0 17 4 1 0 0 0 0 18 11 1 0 0 0 0 19 3 1 0 0 0 0 20 6 2 0 0 0 0 21 13 1 0 0 0 0 22 17 1 0 0 0 0 23 15 2 0 0 0 0 24 16 2 0 0 0 0 25 8 1 0 0 0 0 26 15 1 0 0 0 0 27 18 1 0 0 0 0 28 12 1 0 0 0 0 29 27 1 0 0 0 0 30 19 1 0 0 0 0 31 19 2 0 0 0 0 32 26 1 0 0 0 0 33 29 1 0 0 0 0 34 32 1 0 0 0 0 35 30 2 0 0 0 0 36 31 1 0 0 0 0 37 36 2 0 0 0 0 13 14 1 0 0 0 0 5 4 2 0 0 0 0 21 29 1 0 0 0 0 35 37 1 0 0 0 0 12 7 2 0 0 0 0 M END > (STT-00029719) STT-00029719 > (STT-00029719) 920 $$$$ -ISIS- 02101918162D 38 43 0 0 0 0 0 0 0 0999 V2000 -2.2208 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 1.6708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.2208 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 0.8500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 0.1708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 0.9708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 0.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 0.8333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 -1.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4625 2.4708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 2.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4625 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9833 3.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 15 1 0 0 0 0 8 7 2 0 0 0 0 9 1 1 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 10 1 0 0 0 0 13 3 1 0 0 0 0 14 9 2 0 0 0 0 15 20 1 0 0 0 0 16 9 1 0 0 0 0 17 8 1 0 0 0 0 18 4 1 0 0 0 0 19 17 3 0 0 0 0 20 28 1 0 0 0 0 21 16 1 0 0 0 0 22 2 1 0 0 0 0 23 6 2 0 0 0 0 24 16 2 0 0 0 0 25 21 1 0 0 0 0 26 24 1 0 0 0 0 27 20 2 0 0 0 0 28 18 1 0 0 0 0 29 11 1 0 0 0 0 30 12 1 0 0 0 0 31 22 2 0 0 0 0 32 22 1 0 0 0 0 33 29 1 0 0 0 0 34 30 1 0 0 0 0 35 32 2 0 0 0 0 36 31 1 0 0 0 0 37 34 1 0 0 0 0 38 35 1 0 0 0 0 13 14 1 0 0 0 0 4 5 2 0 0 0 0 25 26 2 0 0 0 0 38 36 2 0 0 0 0 11 12 2 0 0 0 0 37 33 1 0 0 0 0 M END > (STT-00029811) STT-00029811 > (STT-00029811) 1400 $$$$ -ISIS- 02101918162D 38 43 0 0 0 0 0 0 0 0999 V2000 -1.1625 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 0.0833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.1458 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -0.8167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 -1.2000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 0.9333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -0.3792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 0.1208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 0.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -0.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 6 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 8 2 0 0 0 0 8 15 1 0 0 0 0 9 7 1 0 0 0 0 10 2 1 0 0 0 0 11 1 1 0 0 0 0 12 11 2 0 0 0 0 13 8 1 0 0 0 0 14 13 1 0 0 0 0 15 19 1 0 0 0 0 16 9 1 0 0 0 0 17 7 1 0 0 0 0 18 4 1 0 0 0 0 19 28 1 0 0 0 0 20 16 1 0 0 0 0 21 3 1 0 0 0 0 22 6 2 0 0 0 0 23 16 2 0 0 0 0 24 20 1 0 0 0 0 25 17 2 0 0 0 0 26 23 1 0 0 0 0 27 19 2 0 0 0 0 28 18 1 0 0 0 0 29 17 1 0 0 0 0 30 11 1 0 0 0 0 31 12 1 0 0 0 0 32 30 1 0 0 0 0 33 21 2 0 0 0 0 34 21 1 0 0 0 0 35 29 1 0 0 0 0 36 34 2 0 0 0 0 37 33 1 0 0 0 0 38 36 1 0 0 0 0 12 10 1 0 0 0 0 5 4 2 0 0 0 0 32 31 1 0 0 0 0 37 38 2 0 0 0 0 9 14 2 0 0 0 0 26 24 2 0 0 0 0 M END > (STT-00029831) STT-00029831 > (STT-00029831) 1690 $$$$ -ISIS- 02101918162D 18 20 0 0 0 0 0 0 0 0999 V2000 -0.6833 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 0.2458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.0625 -0.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -0.7792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -0.3167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3125 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 6 2 0 0 0 0 11 3 2 0 0 0 0 12 4 1 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 18 16 1 0 0 0 0 9 7 1 0 0 0 0 5 6 1 0 0 0 0 17 18 1 0 0 0 0 M END > (STT-00029873) STT-00029873 > (STT-00029873) 1320 $$$$ -ISIS- 02101918162D 32 35 0 0 0 0 0 0 0 0999 V2000 -0.7125 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -0.8542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6708 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -1.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -1.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -0.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 1.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 -0.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 3.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 3.8833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 3.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 3.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 9 2 0 0 0 0 14 16 1 0 0 0 0 15 5 1 0 0 0 0 16 22 2 0 0 0 0 17 7 1 0 0 0 0 18 3 1 0 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 21 14 1 0 0 0 0 22 13 1 0 0 0 0 23 12 2 0 0 0 0 24 19 1 0 0 0 0 25 27 1 0 0 0 0 26 28 2 0 0 0 0 27 20 2 0 0 0 0 28 20 1 0 0 0 0 29 8 1 0 0 0 0 30 29 1 0 0 0 0 31 17 1 0 0 0 0 32 31 1 0 0 0 0 5 6 1 0 0 0 0 16 23 1 0 0 0 0 30 15 1 0 0 0 0 19 25 2 0 0 0 0 M END > (STT-00029876) STT-00029876 > (STT-00029876) 950 $$$$ -ISIS- 02101918162D 33 36 0 0 0 0 0 0 0 0999 V2000 -0.7125 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -0.8542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1958 -1.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 -1.7000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.6333 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -0.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -1.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 1.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 -0.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 3.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 3.8833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 3.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 3.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 -2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 11 1 0 0 0 0 11 7 1 0 0 0 0 12 5 1 0 0 0 0 13 7 2 0 0 0 0 14 8 2 0 0 0 0 15 12 2 0 0 0 0 16 12 1 0 0 0 0 17 18 1 0 0 0 0 18 25 1 0 0 0 0 19 8 1 0 0 0 0 20 4 1 0 0 0 0 21 28 1 0 0 0 0 22 23 1 0 0 0 0 23 17 1 0 0 0 0 24 15 1 0 0 0 0 25 16 2 0 0 0 0 26 21 1 0 0 0 0 27 29 1 0 0 0 0 28 30 2 0 0 0 0 29 22 2 0 0 0 0 30 22 1 0 0 0 0 31 10 1 0 0 0 0 32 10 1 0 0 0 0 33 19 1 0 0 0 0 6 3 1 0 0 0 0 24 18 2 0 0 0 0 9 10 1 0 0 0 0 27 21 2 0 0 0 0 M END > (STT-00029877) STT-00029877 > (STT-00029877) 1500 $$$$ -ISIS- 02101918162D 35 39 0 0 0 0 0 0 0 0999 V2000 -2.3958 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -0.3000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.6500 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3958 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0125 -0.9167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0125 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 -0.8375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0333 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 -0.9167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 -0.6792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9333 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -1.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9125 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 -1.9542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -1.5167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4958 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9125 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2125 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 7 2 0 0 0 0 10 3 1 0 0 0 0 11 2 1 0 0 0 0 12 14 1 0 0 0 0 13 6 2 0 0 0 0 14 17 2 0 0 0 0 15 21 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 7 1 0 0 0 0 19 22 1 0 0 0 0 20 15 2 0 0 0 0 21 10 1 0 0 0 0 22 24 2 0 0 0 0 23 12 1 0 0 0 0 24 17 1 0 0 0 0 25 19 1 0 0 0 0 26 11 2 0 0 0 0 27 11 1 0 0 0 0 28 18 2 0 0 0 0 29 18 1 0 0 0 0 30 26 1 0 0 0 0 31 28 1 0 0 0 0 32 29 2 0 0 0 0 33 27 2 0 0 0 0 34 33 1 0 0 0 0 35 32 1 0 0 0 0 8 9 1 0 0 0 0 5 3 2 0 0 0 0 35 31 2 0 0 0 0 30 34 2 0 0 0 0 19 12 2 0 0 0 0 M END > (STT-00029999) STT-00029999 > (STT-00029999) 1000 $$$$ -ISIS- 02101918162D 39 43 0 0 0 0 0 0 0 0999 V2000 -0.6125 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 0.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 1.4125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.4875 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1875 -0.5042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 0.5708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -0.3292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0125 2.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 0.3958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0125 3.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 2.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 3.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -1.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 0.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -2.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5333 3.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 -2.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 16 1 0 0 0 0 8 7 2 0 0 0 0 9 1 1 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 2 1 0 0 0 0 15 9 2 0 0 0 0 16 21 1 0 0 0 0 17 12 1 0 0 0 0 18 8 1 0 0 0 0 19 12 2 0 0 0 0 20 6 1 0 0 0 0 21 28 1 0 0 0 0 22 17 1 0 0 0 0 23 4 2 0 0 0 0 24 19 1 0 0 0 0 25 18 2 0 0 0 0 26 5 1 0 0 0 0 27 21 2 0 0 0 0 28 20 1 0 0 0 0 29 26 1 0 0 0 0 30 29 2 0 0 0 0 31 18 1 0 0 0 0 32 11 1 0 0 0 0 33 13 1 0 0 0 0 34 22 1 0 0 0 0 35 31 1 0 0 0 0 36 32 1 0 0 0 0 37 33 1 0 0 0 0 38 35 1 0 0 0 0 39 37 1 0 0 0 0 15 14 1 0 0 0 0 6 3 2 0 0 0 0 24 22 2 0 0 0 0 13 11 2 0 0 0 0 39 36 1 0 0 0 0 M END > (STT-00030049) STT-00030049 > (STT-00030049) 1000 $$$$ -ISIS- 02101918162D 23 25 0 0 0 0 0 0 0 0999 V2000 0.2000 -0.3667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.2833 -0.4667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1000 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -0.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 1.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 -0.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2625 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 7 1 0 0 0 0 7 14 1 0 0 0 0 8 6 2 0 0 0 0 9 18 1 0 0 0 0 10 3 2 0 0 0 0 11 3 1 0 0 0 0 12 2 1 0 0 0 0 13 2 1 0 0 0 0 14 16 1 0 0 0 0 15 10 1 0 0 0 0 16 11 2 0 0 0 0 17 12 1 0 0 0 0 18 13 1 0 0 0 0 19 6 1 0 0 0 0 20 8 1 0 0 0 0 21 8 1 0 0 0 0 22 19 2 0 0 0 0 23 22 1 0 0 0 0 15 14 2 0 0 0 0 17 9 1 0 0 0 0 23 21 2 0 0 0 0 M END > (STT-00030093) STT-00030093 > (STT-00030093) 1990 $$$$ -ISIS- 02101918162D 33 37 0 0 0 0 0 0 0 0999 V2000 -0.9000 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 1.9583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.6208 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 -1.5042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 -1.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 -0.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 2.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 0.4125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 0.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 2.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 6 2 0 0 0 0 5 11 1 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 7 2 0 0 0 0 9 5 2 0 0 0 0 10 9 1 0 0 0 0 11 16 1 0 0 0 0 12 17 2 0 0 0 0 13 11 2 0 0 0 0 14 1 1 0 0 0 0 15 3 1 0 0 0 0 16 19 1 0 0 0 0 17 13 1 0 0 0 0 18 7 1 0 0 0 0 19 14 1 0 0 0 0 20 14 2 0 0 0 0 21 15 1 0 0 0 0 22 15 2 0 0 0 0 23 2 1 0 0 0 0 24 4 1 0 0 0 0 25 22 1 0 0 0 0 26 21 2 0 0 0 0 27 25 2 0 0 0 0 28 18 1 0 0 0 0 29 18 2 0 0 0 0 30 27 1 0 0 0 0 31 28 2 0 0 0 0 32 29 1 0 0 0 0 33 32 2 0 0 0 0 4 3 1 0 0 0 0 26 27 1 0 0 0 0 9 12 1 0 0 0 0 8 10 1 0 0 0 0 31 33 1 0 0 0 0 M END > (STT-00030150) STT-00030150 > (STT-00030150) 930 $$$$ -ISIS- 02101918162D 22 24 0 0 0 0 0 0 0 0999 V2000 -0.7833 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -1.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -2.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 0.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -1.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 3 1 0 0 0 0 8 4 2 0 0 0 0 9 2 1 0 0 0 0 10 7 2 0 0 0 0 11 5 2 0 0 0 0 12 7 1 0 0 0 0 13 5 1 0 0 0 0 14 6 1 0 0 0 0 15 8 1 0 0 0 0 16 9 2 0 0 0 0 17 9 1 0 0 0 0 18 19 1 0 0 0 0 19 15 2 0 0 0 0 20 17 2 0 0 0 0 21 16 1 0 0 0 0 22 20 1 0 0 0 0 6 3 2 0 0 0 0 18 14 2 0 0 0 0 22 21 2 0 0 0 0 M END > (STT-00030183) STT-00030183 > (STT-00030183) 2000 $$$$ -ISIS- 02101918162D 37 42 0 0 0 0 0 0 0 0999 V2000 -1.9208 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 1.3333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.0000 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 0.3500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 0.5958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5458 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 0.7125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 1.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -1.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 1.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7833 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1625 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 2.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 6 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 15 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 10 1 1 0 0 0 0 11 7 1 0 0 0 0 12 8 1 0 0 0 0 13 10 2 0 0 0 0 14 11 1 0 0 0 0 15 18 1 0 0 0 0 16 8 1 0 0 0 0 17 4 1 0 0 0 0 18 23 1 0 0 0 0 19 3 1 0 0 0 0 20 6 2 0 0 0 0 21 16 2 0 0 0 0 22 18 2 0 0 0 0 23 17 1 0 0 0 0 24 16 1 0 0 0 0 25 10 1 0 0 0 0 26 12 1 0 0 0 0 27 13 1 0 0 0 0 28 14 1 0 0 0 0 29 28 1 0 0 0 0 30 25 1 0 0 0 0 31 19 2 0 0 0 0 32 19 1 0 0 0 0 33 24 1 0 0 0 0 34 33 1 0 0 0 0 35 32 2 0 0 0 0 36 31 1 0 0 0 0 37 35 1 0 0 0 0 9 13 1 0 0 0 0 4 5 2 0 0 0 0 27 30 1 0 0 0 0 37 36 2 0 0 0 0 12 14 2 0 0 0 0 26 29 1 0 0 0 0 M END > (STT-00030536) STT-00030536 > (STT-00030536) 1000 $$$$ -ISIS- 02101918162D 21 23 0 0 0 0 0 0 0 0999 V2000 -0.8208 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 0.2125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 -0.8167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -0.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -0.8167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 -0.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 2 0 0 0 0 8 7 1 0 0 0 0 9 5 2 0 0 0 0 10 4 2 0 0 0 0 11 6 2 0 0 0 0 12 13 1 0 0 0 0 13 15 2 0 0 0 0 14 16 1 0 0 0 0 15 8 1 0 0 0 0 16 17 2 0 0 0 0 17 15 1 0 0 0 0 18 12 2 0 0 0 0 19 14 2 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 6 3 1 0 0 0 0 14 12 1 0 0 0 0 21 20 2 0 0 0 0 M END > (STT-00030619) STT-00030619 > (STT-00030619) 1000 $$$$ -ISIS- 02101918162D 20 21 0 0 0 0 0 0 0 0999 V2000 -0.1833 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 1.4458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 1.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 3.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 2.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 11 1 0 0 0 0 10 8 1 0 0 0 0 11 10 2 0 0 0 0 12 9 1 0 0 0 0 13 7 2 0 0 0 0 14 9 2 0 0 0 0 15 12 1 0 0 0 0 16 8 2 0 0 0 0 17 14 1 0 0 0 0 18 7 1 0 0 0 0 19 4 1 0 0 0 0 20 5 1 0 0 0 0 5 4 2 0 0 0 0 15 17 2 0 0 0 0 M END > (STT-00030634) STT-00030634 > (STT-00030634) 1000 $$$$ -ISIS- 02101918162D 19 19 0 0 0 0 0 0 0 0999 V2000 -2.6125 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 0.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3125 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 1.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1958 2.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -0.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0958 1.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3125 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7708 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5500 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 8 1 0 0 0 0 10 6 2 0 0 0 0 11 7 2 0 0 0 0 12 9 2 0 0 0 0 13 2 1 0 0 0 0 14 7 1 0 0 0 0 15 5 1 0 0 0 0 16 9 1 0 0 0 0 17 14 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 4 3 1 0 0 0 0 M END > (STT-00030663) STT-00030663 > (STT-00030663) 2000 $$$$ -ISIS- 02101918162D 24 26 0 0 0 0 0 0 0 0999 V2000 -1.0125 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 -0.8500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 0.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3958 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0958 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6125 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 2.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 2 0 0 0 0 9 3 1 0 0 0 0 10 7 1 0 0 0 0 11 7 2 0 0 0 0 12 6 1 0 0 0 0 13 16 2 0 0 0 0 14 13 1 0 0 0 0 15 10 2 0 0 0 0 16 11 1 0 0 0 0 17 14 1 0 0 0 0 18 12 1 0 0 0 0 19 17 2 0 0 0 0 20 17 1 0 0 0 0 21 18 1 0 0 0 0 22 20 2 0 0 0 0 23 19 1 0 0 0 0 24 22 1 0 0 0 0 4 5 1 0 0 0 0 13 15 1 0 0 0 0 23 24 2 0 0 0 0 M END > (STT-00030677) STT-00030677 > (STT-00030677) 1000 $$$$ -ISIS- 02101918162D 15 16 0 0 0 0 0 0 0 0999 V2000 0.0042 1.4208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0042 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 1.1458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 2.0208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 2.1833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 0.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 2 2 0 0 0 0 10 7 1 0 0 0 0 11 5 2 0 0 0 0 12 4 2 0 0 0 0 13 7 2 0 0 0 0 14 10 1 0 0 0 0 15 13 1 0 0 0 0 8 6 1 0 0 0 0 15 14 2 0 0 0 0 M END > (STT-00030689) STT-00030689 > (STT-00030689) 1000 $$$$ -ISIS- 02101918162D 24 26 0 0 0 0 0 0 0 0999 V2000 -2.6125 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7708 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 1.1208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 1.2458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5125 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -0.2042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3125 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3958 0.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 2.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8125 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0958 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2708 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 11 1 0 0 0 0 11 17 1 0 0 0 0 12 7 2 0 0 0 0 13 8 2 0 0 0 0 14 9 2 0 0 0 0 15 9 1 0 0 0 0 16 14 1 0 0 0 0 17 15 2 0 0 0 0 18 8 1 0 0 0 0 19 4 1 0 0 0 0 20 6 1 0 0 0 0 21 20 1 0 0 0 0 22 10 1 0 0 0 0 23 10 1 0 0 0 0 24 10 1 0 0 0 0 4 6 2 0 0 0 0 19 21 1 0 0 0 0 16 11 2 0 0 0 0 M END > (STT-00030707) STT-00030707 > (STT-00030707) 1000 $$$$ -ISIS- 02101918162D 33 35 0 0 0 0 0 0 0 0999 V2000 -0.6125 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 0.9000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.3625 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -0.7500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -0.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 1.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 1.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -1.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 20 1 0 0 0 0 4 2 1 0 0 0 0 5 8 1 0 0 0 0 6 3 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 7 1 0 0 0 0 10 6 1 0 0 0 0 11 1 1 0 0 0 0 12 2 1 0 0 0 0 13 5 1 0 0 0 0 14 11 1 0 0 0 0 15 6 2 0 0 0 0 16 7 2 0 0 0 0 17 12 2 0 0 0 0 18 13 2 0 0 0 0 19 14 2 0 0 0 0 20 29 1 0 0 0 0 21 4 1 0 0 0 0 22 12 1 0 0 0 0 23 13 1 0 0 0 0 24 10 1 0 0 0 0 25 9 1 0 0 0 0 26 14 1 0 0 0 0 27 22 1 0 0 0 0 28 23 1 0 0 0 0 29 31 1 0 0 0 0 30 26 1 0 0 0 0 31 30 1 0 0 0 0 32 25 2 0 0 0 0 33 24 2 0 0 0 0 5 4 2 0 0 0 0 10 9 2 0 0 0 0 33 32 1 0 0 0 0 M END > (STT-00030804) STT-00030804 > (STT-00030804) 2000 $$$$ -ISIS- 02101918162D 22 23 0 0 0 0 0 0 0 0999 V2000 -0.1125 0.2625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1542 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -2.3042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6500 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 3.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -1.5667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -2.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 -3.0667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -3.1667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 1.6625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 9 2 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 2 1 0 0 0 0 11 14 2 0 0 0 0 12 7 2 0 0 0 0 13 10 2 0 0 0 0 14 12 1 0 0 0 0 15 8 1 0 0 0 0 16 8 1 0 0 0 0 17 8 1 0 0 0 0 18 3 1 0 0 0 0 19 11 1 0 0 0 0 20 4 1 0 0 0 0 21 22 1 0 0 0 0 22 10 1 0 0 0 0 5 2 1 0 0 0 0 6 11 1 0 0 0 0 M END > (STT-00030826) STT-00030826 > (STT-00030826) 1000 $$$$ -ISIS- 02101918162D 24 28 0 0 0 0 0 0 0 0999 V2000 -1.5458 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 0.9208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 1.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 0.7000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 2.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9208 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1458 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 4 1 0 0 0 0 11 10 1 0 0 0 0 12 5 2 0 0 0 0 13 11 1 0 0 0 0 14 8 1 0 0 0 0 15 9 1 0 0 0 0 16 10 2 0 0 0 0 17 11 2 0 0 0 0 18 16 1 0 0 0 0 19 18 2 0 0 0 0 20 13 2 0 0 0 0 21 14 1 0 0 0 0 22 15 1 0 0 0 0 23 17 1 0 0 0 0 24 23 2 0 0 0 0 8 9 2 0 0 0 0 6 5 1 0 0 0 0 21 22 1 0 0 0 0 13 19 1 0 0 0 0 20 24 1 0 0 0 0 M END > (STT-00030837) STT-00030837 > (STT-00030837) 3000 $$$$ -ISIS- 02101918162D 20 22 0 0 0 0 0 0 0 0999 V2000 -1.6000 0.7625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.9833 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 0.7958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 0.9333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 1.7208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 1.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6125 -0.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 5 1 0 0 0 0 8 7 2 0 0 0 0 9 4 1 0 0 0 0 10 2 2 0 0 0 0 11 5 2 0 0 0 0 12 4 2 0 0 0 0 13 8 1 0 0 0 0 14 7 1 0 0 0 0 15 8 1 0 0 0 0 16 14 2 0 0 0 0 17 16 1 0 0 0 0 18 13 1 0 0 0 0 19 15 2 0 0 0 0 20 19 1 0 0 0 0 6 9 1 0 0 0 0 13 17 2 0 0 0 0 20 18 2 0 0 0 0 M END > (STT-00030931) STT-00030931 > (STT-00030931) 1000 $$$$ -ISIS- 02101918162D 13 14 0 0 0 0 0 0 0 0999 V2000 -2.1333 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 -0.4000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 1.0833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3125 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6125 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 1 1 0 0 0 0 7 6 3 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 5 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 4 5 1 0 0 0 0 12 13 1 0 0 0 0 M END > (STT-00030937) STT-00030937 > (STT-00030937) 1000 $$$$ -ISIS- 02101918162D 17 17 0 0 0 0 0 0 0 0999 V2000 0.8542 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -0.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -1.4042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2833 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 1.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -0.9792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1417 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 0.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 6 12 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 3 1 0 0 0 0 10 3 2 0 0 0 0 11 9 2 0 0 0 0 12 10 1 0 0 0 0 13 2 1 0 0 0 0 14 4 1 0 0 0 0 15 5 1 0 0 0 0 16 5 1 0 0 0 0 17 5 1 0 0 0 0 11 6 1 0 0 0 0 M END > (STT-00031029) STT-00031029 > (STT-00031029) 1050 $$$$ -ISIS- 02101918162D 29 31 0 0 0 0 0 0 0 0999 V2000 -2.1625 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 -0.2792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0208 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -0.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 1.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1625 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 0.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4208 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5833 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 0.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 2.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8125 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 3.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 3.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 12 1 0 0 0 0 10 3 1 0 0 0 0 11 8 1 0 0 0 0 12 11 2 0 0 0 0 13 9 1 0 0 0 0 14 7 2 0 0 0 0 15 22 1 0 0 0 0 16 9 2 0 0 0 0 17 13 1 0 0 0 0 18 8 2 0 0 0 0 19 16 1 0 0 0 0 20 10 2 0 0 0 0 21 10 1 0 0 0 0 22 21 2 0 0 0 0 23 20 1 0 0 0 0 24 7 1 0 0 0 0 25 15 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 28 25 1 0 0 0 0 29 26 1 0 0 0 0 4 5 1 0 0 0 0 15 23 2 0 0 0 0 19 17 2 0 0 0 0 M END > (STT-00031035) STT-00031035 > (STT-00031035) 1000 $$$$ -ISIS- 02101918162D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.6333 1.7958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.7333 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 0.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 1.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -0.7792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 3.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 3.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 4 1 0 0 0 0 8 4 2 0 0 0 0 9 1 1 0 0 0 0 10 11 2 0 0 0 0 11 8 1 0 0 0 0 12 7 2 0 0 0 0 13 10 1 0 0 0 0 14 3 1 0 0 0 0 15 9 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 17 16 1 0 0 0 0 12 10 1 0 0 0 0 M END > (STT-00031074) STT-00031074 > (STT-00031074) 3000 $$$$ -ISIS- 02101918162D 27 28 0 0 0 0 0 0 0 0999 V2000 -1.4125 1.4208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 1.7833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.6958 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1125 2.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 2.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 3.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 1.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5708 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7958 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 13 2 0 0 0 0 9 12 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 6 2 0 0 0 0 13 6 1 0 0 0 0 14 8 1 0 0 0 0 15 7 2 0 0 0 0 16 10 2 0 0 0 0 17 11 2 0 0 0 0 18 4 1 0 0 0 0 19 7 1 0 0 0 0 20 11 1 0 0 0 0 21 10 1 0 0 0 0 22 19 1 0 0 0 0 23 21 1 0 0 0 0 24 20 1 0 0 0 0 25 22 1 0 0 0 0 26 24 1 0 0 0 0 27 23 1 0 0 0 0 5 4 2 0 0 0 0 14 9 2 0 0 0 0 M END > (STT-00031083) STT-00031083 > (STT-00031083) 2400 $$$$ -ISIS- 02101918162D 18 19 0 0 0 0 0 0 0 0999 V2000 1.7375 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -1.8375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 -1.4000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7708 -2.1875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3042 -0.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 2.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 3.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9833 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1708 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6208 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 12 1 0 0 0 0 10 9 1 0 0 0 0 11 2 1 0 0 0 0 12 8 1 0 0 0 0 13 6 2 0 0 0 0 14 6 1 0 0 0 0 15 10 1 0 0 0 0 16 10 1 0 0 0 0 17 10 1 0 0 0 0 18 14 1 0 0 0 0 3 5 1 0 0 0 0 7 9 1 0 0 0 0 M END > (STT-00031102) STT-00031102 > (STT-00031102) 1200 $$$$ -ISIS- 02101918162D 32 36 0 0 0 0 0 0 0 0999 V2000 -0.5708 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 0.0958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0792 0.6333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4958 -2.3000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.1500 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8708 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6958 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8708 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8708 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -1.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3125 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -1.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4958 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3125 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3125 -3.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 -3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1125 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 1 2 0 0 0 0 8 13 1 0 0 0 0 9 6 1 0 0 0 0 10 18 1 0 0 0 0 11 17 1 0 0 0 0 12 2 2 0 0 0 0 13 21 2 0 0 0 0 14 7 1 0 0 0 0 15 3 1 0 0 0 0 16 5 1 0 0 0 0 17 10 1 0 0 0 0 18 20 2 0 0 0 0 19 9 2 0 0 0 0 20 14 1 0 0 0 0 21 20 1 0 0 0 0 22 9 1 0 0 0 0 23 15 1 0 0 0 0 24 15 2 0 0 0 0 25 16 2 0 0 0 0 26 16 1 0 0 0 0 27 24 1 0 0 0 0 28 23 2 0 0 0 0 29 26 2 0 0 0 0 30 25 1 0 0 0 0 31 27 2 0 0 0 0 32 29 1 0 0 0 0 3 4 1 0 0 0 0 10 8 2 0 0 0 0 30 32 2 0 0 0 0 31 28 1 0 0 0 0 11 6 1 0 0 0 0 M END > (STT-00031108) STT-00031108 > (STT-00031108) 1600 $$$$ -ISIS- 02101918162D 25 27 0 0 0 0 0 0 0 0999 V2000 -1.6000 1.3000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.2000 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 0.1833 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -2.8833 1.1833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 1.9625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8458 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 0.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 2.2708 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -3.3833 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 2.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0625 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3833 3.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0625 2.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 4 1 0 0 0 0 10 2 2 0 0 0 0 11 4 2 0 0 0 0 12 4 2 0 0 0 0 13 3 2 0 0 0 0 14 9 1 0 0 0 0 15 21 2 0 0 0 0 16 15 1 0 0 0 0 17 6 1 0 0 0 0 18 6 1 0 0 0 0 19 14 1 0 0 0 0 20 14 2 0 0 0 0 21 20 1 0 0 0 0 22 19 2 0 0 0 0 23 17 1 0 0 0 0 24 18 1 0 0 0 0 25 24 1 0 0 0 0 6 5 1 0 0 0 0 25 23 1 0 0 0 0 15 22 1 0 0 0 0 M END > (STT-00031159) STT-00031159 > (STT-00031159) 1700 $$$$ -ISIS- 02101918162D 26 28 0 0 0 0 0 0 0 0999 V2000 4.7000 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -5.4042 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4542 -3.4042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -4.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6000 -4.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -3.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0042 -4.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1792 -5.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -4.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -5.8167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5542 -5.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 -5.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 -4.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -4.5875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -5.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8042 -4.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9042 -5.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 11 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 7 1 0 0 0 0 10 2 1 0 0 0 0 11 12 1 0 0 0 0 12 9 1 0 0 0 0 13 19 2 0 0 0 0 14 3 1 0 0 0 0 15 3 2 0 0 0 0 16 9 2 0 0 0 0 17 10 2 0 0 0 0 18 12 2 0 0 0 0 19 18 1 0 0 0 0 20 10 1 0 0 0 0 21 13 1 0 0 0 0 22 6 1 0 0 0 0 23 8 1 0 0 0 0 24 23 1 0 0 0 0 25 20 1 0 0 0 0 26 25 1 0 0 0 0 8 6 2 0 0 0 0 24 22 1 0 0 0 0 5 13 1 0 0 0 0 M CHG 2 3 1 14 -1 M END > (STT-00031212) STT-00031212 > (STT-00031212) 2000 $$$$ -ISIS- 02101918162D 17 19 0 0 0 0 0 0 0 0999 V2000 -0.7500 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -0.8667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -1.1000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 0.1625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 0.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3125 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3958 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4333 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 9 1 0 0 0 0 8 5 1 0 0 0 0 9 3 2 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 9 1 0 0 0 0 13 11 1 0 0 0 0 14 11 2 0 0 0 0 15 14 1 0 0 0 0 16 13 2 0 0 0 0 17 15 2 0 0 0 0 8 6 2 0 0 0 0 7 4 1 0 0 0 0 16 17 1 0 0 0 0 M END > (STT-00031224) STT-00031224 > (STT-00031224) 1000 $$$$ -ISIS- 02101918162D 26 28 0 0 0 0 0 0 0 0999 V2000 -0.2500 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -1.0375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -0.9375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6125 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.9750 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7167 -0.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 0.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 -1.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -0.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 0.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 10 9 1 0 0 0 0 11 10 2 0 0 0 0 12 7 1 0 0 0 0 13 7 2 0 0 0 0 14 9 2 0 0 0 0 15 18 2 0 0 0 0 16 8 2 0 0 0 0 17 12 1 0 0 0 0 18 14 1 0 0 0 0 19 8 1 0 0 0 0 20 11 1 0 0 0 0 21 17 1 0 0 0 0 22 15 1 0 0 0 0 23 12 1 0 0 0 0 24 19 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 3 6 2 0 0 0 0 25 21 1 0 0 0 0 11 15 1 0 0 0 0 M END > (STT-00031229) STT-00031229 > (STT-00031229) 2800 $$$$ -ISIS- 02101918162D 17 18 0 0 0 0 0 0 0 0999 V2000 1.2292 1.1333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.4667 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 1.1333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 0.8333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 0.2625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 1.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 1.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9125 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 1.5458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 2 2 0 0 0 0 9 5 1 0 0 0 0 10 4 2 0 0 0 0 11 5 2 0 0 0 0 12 9 2 0 0 0 0 13 9 1 0 0 0 0 14 16 1 0 0 0 0 15 12 1 0 0 0 0 16 13 2 0 0 0 0 17 14 1 0 0 0 0 6 7 1 0 0 0 0 14 15 2 0 0 0 0 M END > (STT-00031258) STT-00031258 > (STT-00031258) 2500 $$$$ -ISIS- 02101918162D 22 25 0 0 0 0 0 0 0 0999 V2000 -1.4333 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 -0.8000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.4333 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -1.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 -1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -1.6000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7708 -0.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3125 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 4 2 0 0 0 0 12 2 1 0 0 0 0 13 5 2 0 0 0 0 14 10 1 0 0 0 0 15 10 2 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 12 2 0 0 0 0 19 12 1 0 0 0 0 20 19 2 0 0 0 0 21 18 1 0 0 0 0 22 20 1 0 0 0 0 9 8 1 0 0 0 0 6 4 1 0 0 0 0 17 16 2 0 0 0 0 21 22 2 0 0 0 0 M END > (STT-00031279) STT-00031279 > (STT-00031279) 950 $$$$ -ISIS- 02101918162D 29 32 0 0 0 0 0 0 0 0999 V2000 0.2542 -2.3000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.2333 -1.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -0.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 -0.4000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -2.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 -3.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 1.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 2.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4708 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 1.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0708 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7958 2.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3958 3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 8 1 0 0 0 0 5 4 2 0 0 0 0 6 5 1 0 0 0 0 7 9 2 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 4 1 0 0 0 0 11 10 1 0 0 0 0 12 5 1 0 0 0 0 13 1 2 0 0 0 0 14 1 2 0 0 0 0 15 6 1 0 0 0 0 16 12 2 0 0 0 0 17 15 2 0 0 0 0 18 15 1 0 0 0 0 19 12 1 0 0 0 0 20 7 1 0 0 0 0 21 18 2 0 0 0 0 22 17 1 0 0 0 0 23 21 1 0 0 0 0 24 9 1 0 0 0 0 25 19 1 0 0 0 0 26 23 1 0 0 0 0 27 28 1 0 0 0 0 28 24 2 0 0 0 0 29 25 1 0 0 0 0 3 7 1 0 0 0 0 20 27 2 0 0 0 0 11 6 2 0 0 0 0 23 22 2 0 0 0 0 M END > (STT-00031286) STT-00031286 > (STT-00031286) 900 $$$$ -ISIS- 02101918162D 23 25 0 0 0 0 0 0 0 0999 V2000 0.0500 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 -1.2792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -0.8542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 0.0708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 0.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 1.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 3 1 0 0 0 0 10 9 1 0 0 0 0 11 10 2 0 0 0 0 12 8 1 0 0 0 0 13 11 1 0 0 0 0 14 10 1 0 0 0 0 15 22 1 0 0 0 0 16 15 2 0 0 0 0 17 18 1 0 0 0 0 18 14 2 0 0 0 0 19 5 1 0 0 0 0 20 11 1 0 0 0 0 21 6 1 0 0 0 0 22 17 1 0 0 0 0 23 20 1 0 0 0 0 4 6 1 0 0 0 0 12 7 2 0 0 0 0 13 17 2 0 0 0 0 M END > (STT-00031320) STT-00031320 > (STT-00031320) 1800 $$$$ -ISIS- 02101918162D 26 27 0 0 0 0 0 0 0 0999 V2000 0.1000 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -2.4500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.2792 -1.8000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1542 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -1.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -0.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 -2.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5333 0.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1958 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 -1.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1958 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8333 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 2 1 0 0 0 0 5 1 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 1 1 0 0 0 0 9 6 1 0 0 0 0 10 6 1 0 0 0 0 11 2 2 0 0 0 0 12 4 1 0 0 0 0 13 9 2 0 0 0 0 14 10 2 0 0 0 0 15 3 1 0 0 0 0 16 5 1 0 0 0 0 17 9 1 0 0 0 0 18 10 1 0 0 0 0 19 18 1 0 0 0 0 20 12 2 0 0 0 0 21 12 1 0 0 0 0 22 17 1 0 0 0 0 23 22 1 0 0 0 0 24 21 2 0 0 0 0 25 20 1 0 0 0 0 26 24 1 0 0 0 0 4 3 1 0 0 0 0 26 25 2 0 0 0 0 M END > (STT-00031356) STT-00031356 > (STT-00031356) 1400 $$$$ -ISIS- 02101918162D 31 34 0 0 0 0 0 0 0 0999 V2000 -2.0708 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1708 1.0458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.2500 1.7833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5708 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 1.5208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 2.1833 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2792 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 0.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 0.8833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6958 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 2.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 2.5625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 2.8458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 1.7833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 0.8833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4125 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4958 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 2.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0208 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9333 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 3.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 4.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7333 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 13 1 0 0 0 0 7 1 2 0 0 0 0 8 6 1 0 0 0 0 9 19 1 0 0 0 0 10 2 2 0 0 0 0 11 7 1 0 0 0 0 12 3 1 0 0 0 0 13 18 2 0 0 0 0 14 5 1 0 0 0 0 15 8 1 0 0 0 0 16 8 1 0 0 0 0 17 8 1 0 0 0 0 18 11 1 0 0 0 0 19 21 2 0 0 0 0 20 9 1 0 0 0 0 21 18 1 0 0 0 0 22 12 1 0 0 0 0 23 12 2 0 0 0 0 24 14 2 0 0 0 0 25 14 1 0 0 0 0 26 23 1 0 0 0 0 27 22 2 0 0 0 0 28 25 2 0 0 0 0 29 24 1 0 0 0 0 30 28 1 0 0 0 0 31 26 2 0 0 0 0 3 4 1 0 0 0 0 29 30 2 0 0 0 0 6 9 2 0 0 0 0 31 27 1 0 0 0 0 M END > (STT-00031436) STT-00031436 > (STT-00031436) 1430 $$$$ -ISIS- 02101918162D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.1000 0.1833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 -0.4292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.3458 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 1.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 1.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 2.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 -4.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 3.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 6 2 0 0 0 0 9 4 1 0 0 0 0 10 7 2 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 15 1 0 0 0 0 14 10 1 0 0 0 0 15 11 2 0 0 0 0 16 13 1 0 0 0 0 17 12 1 0 0 0 0 18 17 1 0 0 0 0 4 5 2 0 0 0 0 14 13 2 0 0 0 0 M END > (STT-00031490) STT-00031490 > (STT-00031490) 3000 $$$$ -ISIS- 02101918162D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.1000 0.1833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 -0.4292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.3458 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 1.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 1.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 2.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 -4.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 3.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 4.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 6 2 0 0 0 0 9 4 1 0 0 0 0 10 7 2 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 15 1 0 0 0 0 14 10 1 0 0 0 0 15 11 2 0 0 0 0 16 13 1 0 0 0 0 17 12 1 0 0 0 0 18 17 1 0 0 0 0 4 5 2 0 0 0 0 14 13 2 0 0 0 0 M END > (STT-00031491) STT-00031491 > (STT-00031491) 1000 $$$$ -ISIS- 02101918162D 19 20 0 0 0 0 0 0 0 0999 V2000 -0.2708 0.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -0.2792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.1125 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 1.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 1.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 1.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -2.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 6 2 0 0 0 0 9 4 1 0 0 0 0 10 7 2 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 15 1 0 0 0 0 14 10 1 0 0 0 0 15 11 2 0 0 0 0 16 13 1 0 0 0 0 17 12 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 5 4 2 0 0 0 0 13 14 2 0 0 0 0 M END > (STT-00031492) STT-00031492 > (STT-00031492) 1000 $$$$ -ISIS- 02101918162D 34 38 0 0 0 0 0 0 0 0999 V2000 -0.8958 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 1.6833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.4500 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -0.9042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -0.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -0.1042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 0.5458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7125 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7708 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 11 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 5 1 0 0 0 0 9 7 2 0 0 0 0 10 6 2 0 0 0 0 11 16 1 0 0 0 0 12 17 2 0 0 0 0 13 11 2 0 0 0 0 14 1 1 0 0 0 0 15 2 1 0 0 0 0 16 19 1 0 0 0 0 17 13 1 0 0 0 0 18 9 1 0 0 0 0 19 14 1 0 0 0 0 20 14 2 0 0 0 0 21 15 1 0 0 0 0 22 3 1 0 0 0 0 23 10 1 0 0 0 0 24 21 1 0 0 0 0 25 18 1 0 0 0 0 26 18 2 0 0 0 0 27 24 1 0 0 0 0 28 24 2 0 0 0 0 29 25 2 0 0 0 0 30 26 1 0 0 0 0 31 28 1 0 0 0 0 32 27 2 0 0 0 0 33 31 2 0 0 0 0 34 30 2 0 0 0 0 2 10 1 0 0 0 0 12 5 1 0 0 0 0 9 8 1 0 0 0 0 32 33 1 0 0 0 0 29 34 1 0 0 0 0 M END > (STT-00031495) STT-00031495 > (STT-00031495) 980 $$$$ -ISIS- 02101918162D 19 20 0 0 0 0 0 0 0 0999 V2000 -0.7500 -0.2667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.3667 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9833 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 0.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 1.0208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 -0.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 1.7625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 13 1 0 0 0 0 11 6 1 0 0 0 0 12 8 2 0 0 0 0 13 11 2 0 0 0 0 14 3 1 0 0 0 0 15 9 1 0 0 0 0 16 4 1 0 0 0 0 17 10 1 0 0 0 0 18 19 1 0 0 0 0 19 8 1 0 0 0 0 2 5 1 0 0 0 0 10 9 2 0 0 0 0 M END > (STT-00031554) STT-00031554 > (STT-00031554) 1490 $$$$ -ISIS- 02101918162D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.9625 1.0708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.7000 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 3.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -1.3000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 2.3500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 3.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 8 2 0 0 0 0 11 3 1 0 0 0 0 12 4 1 0 0 0 0 13 6 2 0 0 0 0 14 10 1 0 0 0 0 15 16 1 0 0 0 0 16 7 1 0 0 0 0 17 13 1 0 0 0 0 18 17 2 0 0 0 0 5 2 1 0 0 0 0 10 18 1 0 0 0 0 M END > (STT-00031556) STT-00031556 > (STT-00031556) 1430 $$$$ -ISIS- 02101918162D 20 21 0 0 0 0 0 0 0 0999 V2000 -0.7000 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 1.3125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.6000 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 3.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 3.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 2.5333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 3.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 -1.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 6 2 0 0 0 0 9 7 1 0 0 0 0 10 7 2 0 0 0 0 11 2 1 0 0 0 0 12 4 1 0 0 0 0 13 14 2 0 0 0 0 14 10 1 0 0 0 0 15 9 2 0 0 0 0 16 17 1 0 0 0 0 17 6 1 0 0 0 0 18 13 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 3 4 1 0 0 0 0 13 15 1 0 0 0 0 M END > (STT-00031557) STT-00031557 > (STT-00031557) 1660 $$$$ -ISIS- 02101918162D 34 38 0 0 0 0 0 0 0 0999 V2000 2.4167 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -1.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -2.1167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.4500 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -1.1500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -0.7000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -0.5167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -1.5542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 0.9333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 -1.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 15 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 10 1 1 0 0 0 0 11 7 1 0 0 0 0 12 8 1 0 0 0 0 13 10 2 0 0 0 0 14 11 1 0 0 0 0 15 19 1 0 0 0 0 16 8 1 0 0 0 0 17 6 1 0 0 0 0 18 16 3 0 0 0 0 19 23 1 0 0 0 0 20 4 2 0 0 0 0 21 5 1 0 0 0 0 22 19 2 0 0 0 0 23 17 1 0 0 0 0 24 21 1 0 0 0 0 25 24 2 0 0 0 0 26 10 1 0 0 0 0 27 12 1 0 0 0 0 28 14 1 0 0 0 0 29 13 1 0 0 0 0 30 26 1 0 0 0 0 31 27 1 0 0 0 0 32 30 1 0 0 0 0 33 28 1 0 0 0 0 34 33 1 0 0 0 0 13 9 1 0 0 0 0 3 6 2 0 0 0 0 29 32 1 0 0 0 0 12 14 2 0 0 0 0 31 34 1 0 0 0 0 M END > (STT-00031565) STT-00031565 > (STT-00031565) 1000 $$$$ -ISIS- 02101918162D 20 20 0 0 0 0 0 0 0 0999 V2000 -2.2333 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1125 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 -0.6167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7125 -0.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1125 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6333 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 0.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0333 -0.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -1.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 1.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 -1.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 -1.6000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 9 2 0 0 0 0 14 3 1 0 0 0 0 15 7 1 0 0 0 0 16 8 1 0 0 0 0 17 18 1 0 0 0 0 18 12 1 0 0 0 0 19 15 1 0 0 0 0 20 16 1 0 0 0 0 4 3 2 0 0 0 0 M END > (STT-00031588) STT-00031588 > (STT-00031588) 2000 $$$$ -ISIS- 02101918162D 18 20 0 0 0 0 0 0 0 0999 V2000 -0.8458 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 0.6708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.6833 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -0.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 1.0125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 -0.2792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 1.2958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 1.2125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 9 2 0 0 0 0 11 7 2 0 0 0 0 12 6 1 0 0 0 0 13 11 1 0 0 0 0 14 4 2 0 0 0 0 15 11 1 0 0 0 0 16 15 1 0 0 0 0 17 9 1 0 0 0 0 18 10 1 0 0 0 0 10 8 1 0 0 0 0 6 5 2 0 0 0 0 12 13 2 0 0 0 0 M END > (STT-00031642) STT-00031642 > (STT-00031642) 2000 $$$$ -ISIS- 02101918162D 16 17 0 0 0 0 0 0 0 0999 V2000 -1.7625 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 0.6708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 0.0708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 1.5958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.7625 -0.8500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3208 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3208 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 6 2 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 7 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 9 2 0 0 0 0 16 15 1 0 0 0 0 3 5 1 0 0 0 0 16 10 2 0 0 0 0 M END > (STT-00031669) STT-00031669 > (STT-00031669) 960 $$$$ -ISIS- 02101918162D 29 31 0 0 0 0 0 0 0 0999 V2000 -1.3958 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4125 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 0.0625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -0.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.1500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5000 0.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 0.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 1.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -0.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 0.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1208 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0333 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5833 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6958 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9125 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 12 7 2 0 0 0 0 13 6 1 0 0 0 0 14 8 2 0 0 0 0 15 9 1 0 0 0 0 16 11 2 0 0 0 0 17 8 1 0 0 0 0 18 11 1 0 0 0 0 19 13 2 0 0 0 0 20 13 1 0 0 0 0 21 15 2 0 0 0 0 22 15 1 0 0 0 0 23 17 1 0 0 0 0 24 20 2 0 0 0 0 25 19 1 0 0 0 0 26 22 2 0 0 0 0 27 21 1 0 0 0 0 28 26 1 0 0 0 0 29 24 1 0 0 0 0 6 4 2 0 0 0 0 29 25 2 0 0 0 0 27 28 2 0 0 0 0 M END > (STT-00031686) STT-00031686 > (STT-00031686) 1000 $$$$ -ISIS- 02101918162D 20 21 0 0 0 0 0 0 0 0999 V2000 -0.5500 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 1.2625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 1.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 0.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 3.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 0.9833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 2.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 3.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 14 2 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 15 4 1 0 0 0 0 16 6 1 0 0 0 0 17 9 2 0 0 0 0 18 20 2 0 0 0 0 19 13 1 0 0 0 0 20 17 1 0 0 0 0 4 6 2 0 0 0 0 12 18 1 0 0 0 0 M END > (STT-00031700) STT-00031700 > (STT-00031700) 1000 $$$$ -ISIS- 02101918162D 22 25 0 0 0 0 0 0 0 0999 V2000 -0.6000 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -1.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -0.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -0.9500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 0.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7625 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 6 1 0 0 0 0 6 3 2 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 4 2 0 0 0 0 11 6 1 0 0 0 0 12 9 1 0 0 0 0 13 11 2 0 0 0 0 14 11 1 0 0 0 0 15 12 1 0 0 0 0 16 12 2 0 0 0 0 17 16 1 0 0 0 0 18 15 2 0 0 0 0 19 14 2 0 0 0 0 20 13 1 0 0 0 0 21 19 1 0 0 0 0 22 17 2 0 0 0 0 9 8 2 0 0 0 0 5 4 1 0 0 0 0 22 18 1 0 0 0 0 20 21 2 0 0 0 0 M END > (STT-00031714) STT-00031714 > (STT-00031714) 1900 $$$$ -ISIS- 02101918162D 29 31 0 0 0 0 0 0 0 0999 V2000 -0.3500 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 0.2833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -0.1042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 0.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 1.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 1.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 1.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 12 1 0 0 0 0 8 3 1 0 0 0 0 9 2 2 0 0 0 0 10 4 2 0 0 0 0 11 4 1 0 0 0 0 12 14 2 0 0 0 0 13 6 2 0 0 0 0 14 8 1 0 0 0 0 15 5 1 0 0 0 0 16 6 1 0 0 0 0 17 18 1 0 0 0 0 18 21 2 0 0 0 0 19 11 2 0 0 0 0 20 11 1 0 0 0 0 21 14 1 0 0 0 0 22 15 1 0 0 0 0 23 15 2 0 0 0 0 24 19 1 0 0 0 0 25 20 2 0 0 0 0 26 23 1 0 0 0 0 27 22 2 0 0 0 0 28 25 1 0 0 0 0 29 26 2 0 0 0 0 28 24 2 0 0 0 0 17 7 2 0 0 0 0 29 27 1 0 0 0 0 M END > (STT-00031759) STT-00031759 > (STT-00031759) 1400 $$$$ -ISIS- 02101918162D 30 33 0 0 0 0 0 0 0 0999 V2000 0.9042 -0.6375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.8958 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -0.4542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -0.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -1.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5333 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 0.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 -1.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 1.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0125 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2458 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6333 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7333 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 6 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 13 1 0 0 0 0 12 3 1 0 0 0 0 13 14 1 0 0 0 0 14 1 1 0 0 0 0 15 5 2 0 0 0 0 16 4 2 0 0 0 0 17 8 1 0 0 0 0 18 12 2 0 0 0 0 19 13 2 0 0 0 0 20 12 1 0 0 0 0 21 10 1 0 0 0 0 22 9 1 0 0 0 0 23 17 2 0 0 0 0 24 17 1 0 0 0 0 25 20 1 0 0 0 0 26 21 2 0 0 0 0 27 22 2 0 0 0 0 28 24 2 0 0 0 0 29 23 1 0 0 0 0 30 28 1 0 0 0 0 10 9 2 0 0 0 0 26 27 1 0 0 0 0 8 7 2 0 0 0 0 30 29 2 0 0 0 0 M END > (STT-00031780) STT-00031780 > (STT-00031780) 1000 $$$$ -ISIS- 02101918162D 21 23 0 0 0 0 0 0 0 0999 V2000 -1.5125 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 -2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 -0.4667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3958 -1.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -0.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 1.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 2.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 -1.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3333 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5458 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 4 2 0 0 0 0 7 8 1 0 0 0 0 8 10 1 0 0 0 0 9 5 1 0 0 0 0 10 12 2 0 0 0 0 11 7 2 0 0 0 0 12 9 1 0 0 0 0 13 7 1 0 0 0 0 14 4 1 0 0 0 0 15 3 1 0 0 0 0 16 6 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 12 1 0 0 0 0 20 14 2 0 0 0 0 21 20 1 0 0 0 0 6 2 1 0 0 0 0 16 21 2 0 0 0 0 8 17 2 0 0 0 0 M END > (STT-00031799) STT-00031799 > (STT-00031799) 1500 $$$$ -ISIS- 02101918162D 25 27 0 0 0 0 0 0 0 0999 V2000 -0.8625 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 -1.9000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 -1.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7125 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -0.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -1.7292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6292 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -0.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7833 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 8 3 0 0 0 0 10 7 1 0 0 0 0 11 12 1 0 0 0 0 12 17 1 0 0 0 0 13 7 2 0 0 0 0 14 10 2 0 0 0 0 15 10 1 0 0 0 0 16 14 1 0 0 0 0 17 15 2 0 0 0 0 18 4 1 0 0 0 0 19 6 1 0 0 0 0 20 11 1 0 0 0 0 21 11 1 0 0 0 0 22 11 1 0 0 0 0 23 18 1 0 0 0 0 24 19 1 0 0 0 0 25 24 1 0 0 0 0 4 6 2 0 0 0 0 16 12 2 0 0 0 0 23 25 1 0 0 0 0 M END > (STT-00031879) STT-00031879 > (STT-00031879) 900 $$$$ -ISIS- 02101918162D 30 34 0 0 0 0 0 0 0 0999 V2000 0.2500 0.0958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 -1.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 1.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -1.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 3.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9875 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1958 4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 4.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 5.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1958 5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 11 1 0 0 0 0 10 8 1 0 0 0 0 11 7 2 0 0 0 0 12 16 1 0 0 0 0 13 12 1 0 0 0 0 14 10 2 0 0 0 0 15 10 1 0 0 0 0 16 15 2 0 0 0 0 17 14 1 0 0 0 0 18 13 1 0 0 0 0 19 5 1 0 0 0 0 20 7 1 0 0 0 0 21 6 1 0 0 0 0 22 25 1 0 0 0 0 23 18 2 0 0 0 0 24 18 1 0 0 0 0 25 20 2 0 0 0 0 26 19 2 0 0 0 0 27 21 2 0 0 0 0 28 24 2 0 0 0 0 29 23 1 0 0 0 0 30 28 1 0 0 0 0 5 6 2 0 0 0 0 22 9 2 0 0 0 0 26 27 1 0 0 0 0 12 17 2 0 0 0 0 29 30 2 0 0 0 0 M END > (STT-00031881) STT-00031881 > (STT-00031881) 900 $$$$ -ISIS- 02101918162D 17 19 0 0 0 0 0 0 0 0999 V2000 0.0500 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -2.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -2.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -1.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -0.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 9 1 0 0 0 0 9 6 2 0 0 0 0 10 3 1 0 0 0 0 11 7 2 0 0 0 0 12 5 1 0 0 0 0 13 10 2 0 0 0 0 14 10 1 0 0 0 0 15 14 2 0 0 0 0 16 13 1 0 0 0 0 17 15 1 0 0 0 0 5 3 2 0 0 0 0 8 7 1 0 0 0 0 17 16 2 0 0 0 0 M END > (STT-00031906) STT-00031906 > (STT-00031906) 1150 $$$$ -ISIS- 02101918162D 26 28 0 0 0 0 0 0 0 0999 V2000 2.3042 0.0458 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.2875 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -0.8542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 0.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 2.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 -2.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 -3.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1125 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 4.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 10 2 0 0 0 0 7 1 1 0 0 0 0 8 3 2 0 0 0 0 9 14 2 0 0 0 0 10 15 1 0 0 0 0 11 2 2 0 0 0 0 12 13 2 0 0 0 0 13 11 1 0 0 0 0 14 16 1 0 0 0 0 15 21 1 0 0 0 0 16 15 2 0 0 0 0 17 6 1 0 0 0 0 18 7 1 0 0 0 0 19 9 1 0 0 0 0 20 8 1 0 0 0 0 21 18 1 0 0 0 0 22 12 1 0 0 0 0 23 17 1 0 0 0 0 24 19 1 0 0 0 0 25 20 2 0 0 0 0 26 22 2 0 0 0 0 8 12 1 0 0 0 0 25 26 1 0 0 0 0 9 6 1 0 0 0 0 M END > (STT-00031974) STT-00031974 > (STT-00031974) 1000 $$$$ -ISIS- 02101918162D 28 30 0 0 0 0 0 0 0 0999 V2000 -0.9500 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 -0.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -0.2375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -1.6792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5958 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -1.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -1.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -1.1542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -1.9542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 0.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1125 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 14 1 0 0 0 0 11 3 1 0 0 0 0 12 7 2 0 0 0 0 13 8 2 0 0 0 0 14 17 1 0 0 0 0 15 9 2 0 0 0 0 16 9 1 0 0 0 0 17 21 1 0 0 0 0 18 10 1 0 0 0 0 19 10 1 0 0 0 0 20 8 1 0 0 0 0 21 16 2 0 0 0 0 22 15 1 0 0 0 0 23 11 2 0 0 0 0 24 11 1 0 0 0 0 25 20 1 0 0 0 0 26 24 2 0 0 0 0 27 23 1 0 0 0 0 28 26 1 0 0 0 0 6 3 2 0 0 0 0 22 17 2 0 0 0 0 28 27 2 0 0 0 0 M END > (STT-00031979) STT-00031979 > (STT-00031979) 900 $$$$ -ISIS- 02101918162D 30 34 0 0 0 0 0 0 0 0999 V2000 -1.2458 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 -0.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0625 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 -0.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -1.4042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6292 -0.4792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9667 -1.1875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1958 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 -1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 1.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 0.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5625 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9833 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7708 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 8 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 10 5 1 0 0 0 0 11 5 1 0 0 0 0 12 5 1 0 0 0 0 13 10 1 0 0 0 0 14 12 1 0 0 0 0 15 11 1 0 0 0 0 16 3 1 0 0 0 0 17 8 2 0 0 0 0 18 9 2 0 0 0 0 19 14 1 0 0 0 0 20 14 1 0 0 0 0 21 15 1 0 0 0 0 22 9 1 0 0 0 0 23 6 1 0 0 0 0 24 16 2 0 0 0 0 25 16 1 0 0 0 0 26 22 1 0 0 0 0 27 26 1 0 0 0 0 28 24 1 0 0 0 0 29 25 2 0 0 0 0 30 29 1 0 0 0 0 6 3 2 0 0 0 0 20 13 1 0 0 0 0 15 19 1 0 0 0 0 21 13 1 0 0 0 0 28 30 2 0 0 0 0 M END > (STT-00031984) STT-00031984 > (STT-00031984) 1200 $$$$ -ISIS- 02101918162D 25 28 0 0 0 0 0 0 0 0999 V2000 -0.5708 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -0.3500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4125 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -1.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 1.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1125 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 10 2 0 0 0 0 12 7 2 0 0 0 0 13 8 2 0 0 0 0 14 9 2 0 0 0 0 15 16 2 0 0 0 0 16 14 1 0 0 0 0 17 8 1 0 0 0 0 18 4 1 0 0 0 0 19 6 1 0 0 0 0 20 19 1 0 0 0 0 21 11 1 0 0 0 0 22 15 1 0 0 0 0 23 17 1 0 0 0 0 24 21 2 0 0 0 0 25 22 2 0 0 0 0 6 4 2 0 0 0 0 18 20 1 0 0 0 0 15 11 1 0 0 0 0 25 24 1 0 0 0 0 M END > (STT-00031999) STT-00031999 > (STT-00031999) 900 $$$$ -ISIS- 02101918162D 29 32 0 0 0 0 0 0 0 0999 V2000 -2.2458 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7708 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -0.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 -0.5500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9333 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5208 0.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4125 1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 1.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4125 0.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7833 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -2.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 1 1 0 0 0 0 11 4 2 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 11 1 0 0 0 0 15 12 1 0 0 0 0 16 15 2 0 0 0 0 17 8 2 0 0 0 0 18 10 2 0 0 0 0 19 12 2 0 0 0 0 20 21 2 0 0 0 0 21 19 1 0 0 0 0 22 10 1 0 0 0 0 23 13 1 0 0 0 0 24 16 1 0 0 0 0 25 20 1 0 0 0 0 26 22 1 0 0 0 0 27 26 1 0 0 0 0 28 24 2 0 0 0 0 29 25 2 0 0 0 0 6 7 1 0 0 0 0 14 13 2 0 0 0 0 20 16 1 0 0 0 0 29 28 1 0 0 0 0 M END > (STT-00032029) STT-00032029 > (STT-00032029) 1000 $$$$ -ISIS- 02101918162D 29 32 0 0 0 0 0 0 0 0999 V2000 -2.2458 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7708 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -0.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 -0.5500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9333 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5208 0.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4125 1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 1.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4125 0.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7833 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 4 1 0 0 0 0 10 1 1 0 0 0 0 11 6 1 0 0 0 0 12 4 2 0 0 0 0 13 11 1 0 0 0 0 14 9 1 0 0 0 0 15 12 1 0 0 0 0 16 6 2 0 0 0 0 17 10 2 0 0 0 0 18 13 2 0 0 0 0 19 10 1 0 0 0 0 20 11 2 0 0 0 0 21 13 1 0 0 0 0 22 20 1 0 0 0 0 23 14 1 0 0 0 0 24 22 2 0 0 0 0 25 18 1 0 0 0 0 26 19 1 0 0 0 0 27 21 2 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 8 7 1 0 0 0 0 14 15 2 0 0 0 0 18 24 1 0 0 0 0 29 25 2 0 0 0 0 M END > (STT-00032030) STT-00032030 > (STT-00032030) 1060 $$$$ -ISIS- 02101918162D 25 29 0 0 0 0 0 0 0 0999 V2000 -1.0708 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 -1.4792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4708 -0.7667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -0.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 0.8625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -1.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -2.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6500 -1.7792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9333 -2.3667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0292 -1.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 -2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0125 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5458 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 8 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 9 3 0 0 0 0 11 3 1 0 0 0 0 12 3 1 0 0 0 0 13 3 1 0 0 0 0 14 13 1 0 0 0 0 15 12 1 0 0 0 0 16 11 1 0 0 0 0 17 8 2 0 0 0 0 18 14 1 0 0 0 0 19 14 1 0 0 0 0 20 15 1 0 0 0 0 21 5 1 0 0 0 0 22 7 1 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 25 24 1 0 0 0 0 5 7 2 0 0 0 0 23 25 1 0 0 0 0 16 19 1 0 0 0 0 15 18 1 0 0 0 0 16 20 1 0 0 0 0 M END > (STT-00032040) STT-00032040 > (STT-00032040) 960 $$$$ -ISIS- 02101918162D 32 34 0 0 0 0 0 0 0 0999 V2000 -2.6208 1.6000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.7667 1.4708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -3.4708 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 1.5208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.7708 1.5833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.9208 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8833 2.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7708 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7708 2.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 2.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 2.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 0.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 0.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1833 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4625 3.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5125 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2083 3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2208 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 2.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 20 1 0 0 0 0 6 1 1 0 0 0 0 7 3 2 0 0 0 0 8 4 2 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 7 1 0 0 0 0 12 8 1 0 0 0 0 13 10 2 0 0 0 0 14 9 2 0 0 0 0 15 1 2 0 0 0 0 16 2 2 0 0 0 0 17 1 2 0 0 0 0 18 2 2 0 0 0 0 19 6 1 0 0 0 0 20 21 1 0 0 0 0 21 6 1 0 0 0 0 22 19 1 0 0 0 0 23 14 1 0 0 0 0 24 13 1 0 0 0 0 25 9 1 0 0 0 0 26 7 1 0 0 0 0 27 10 1 0 0 0 0 28 8 1 0 0 0 0 29 14 1 0 0 0 0 30 11 1 0 0 0 0 31 12 1 0 0 0 0 32 13 1 0 0 0 0 22 5 1 0 0 0 0 23 11 2 0 0 0 0 12 24 2 0 0 0 0 M END > (STT-00032048) STT-00032048 > (STT-00032048) 1080 $$$$ -ISIS- 02101918162D 27 30 0 0 0 0 0 0 0 0999 V2000 -1.2458 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -0.1292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -0.8375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7000 0.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6833 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 -1.1792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0500 -1.8000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8833 -1.5792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0208 -0.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 1.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3708 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 1.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 -0.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 6 1 0 0 0 0 12 6 1 0 0 0 0 13 6 1 0 0 0 0 14 11 1 0 0 0 0 15 13 1 0 0 0 0 16 12 1 0 0 0 0 17 8 2 0 0 0 0 18 9 2 0 0 0 0 19 10 2 0 0 0 0 20 15 1 0 0 0 0 21 15 1 0 0 0 0 22 16 1 0 0 0 0 23 3 1 0 0 0 0 24 9 1 0 0 0 0 25 10 1 0 0 0 0 26 25 1 0 0 0 0 27 24 1 0 0 0 0 3 4 2 0 0 0 0 14 21 1 0 0 0 0 20 16 1 0 0 0 0 14 22 1 0 0 0 0 M END > (STT-00032073) STT-00032073 > (STT-00032073) 1000 $$$$ -ISIS- 02101918162D 16 17 0 0 0 0 0 0 0 0999 V2000 -2.3208 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 1.5458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 1.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 -0.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 0.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 1.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7458 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7458 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 2 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 5 1 0 0 0 0 9 2 1 0 0 0 0 10 2 2 0 0 0 0 11 5 2 0 0 0 0 12 11 1 0 0 0 0 13 14 1 0 0 0 0 14 9 1 0 0 0 0 15 7 1 0 0 0 0 16 15 1 0 0 0 0 16 8 1 0 0 0 0 12 6 2 0 0 0 0 M END > (STT-00032148) STT-00032148 > (STT-00032148) 2000 $$$$ -ISIS- 02101918162D 29 32 0 0 0 0 0 0 0 0999 V2000 -0.5208 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 0.5125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.3833 2.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.2000 0.7458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -0.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -0.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9833 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 1.8708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 2.3125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8458 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 1.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6833 2.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4458 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5833 2.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 -1.2542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 3.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 3.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 1 2 0 0 0 0 5 10 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 9 1 0 0 0 0 11 8 1 0 0 0 0 12 2 1 0 0 0 0 13 5 2 0 0 0 0 14 8 2 0 0 0 0 15 11 2 0 0 0 0 16 11 1 0 0 0 0 17 3 1 0 0 0 0 18 20 1 0 0 0 0 19 15 1 0 0 0 0 20 16 2 0 0 0 0 21 18 1 0 0 0 0 22 10 1 0 0 0 0 23 12 2 0 0 0 0 24 12 1 0 0 0 0 25 26 1 0 0 0 0 26 22 1 0 0 0 0 27 24 2 0 0 0 0 28 23 1 0 0 0 0 29 27 1 0 0 0 0 7 6 2 0 0 0 0 25 17 1 0 0 0 0 29 28 2 0 0 0 0 19 18 2 0 0 0 0 M END > (STT-00032252) STT-00032252 > (STT-00032252) 1000 $$$$ -ISIS- 02101918162D 16 18 0 0 0 0 0 0 0 0999 V2000 -2.0625 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -0.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 -1.3167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5458 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -0.1167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.6000 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 0.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 0.3208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3625 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4625 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6208 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 6 2 0 0 0 0 9 7 1 0 0 0 0 10 3 2 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 8 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 5 8 1 0 0 0 0 9 4 2 0 0 0 0 16 15 1 0 0 0 0 M END > (STT-00032264) STT-00032264 > (STT-00032264) 970 $$$$ -ISIS- 02101918162D 26 28 0 0 0 0 0 0 0 0999 V2000 0.6875 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1500 -0.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 0.0625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4708 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 1.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 1.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 11 1 0 0 0 0 11 7 1 0 0 0 0 12 5 1 0 0 0 0 13 7 2 0 0 0 0 14 8 2 0 0 0 0 15 12 2 0 0 0 0 16 12 1 0 0 0 0 17 8 1 0 0 0 0 18 21 1 0 0 0 0 19 4 1 0 0 0 0 20 15 1 0 0 0 0 21 16 2 0 0 0 0 22 18 1 0 0 0 0 23 10 1 0 0 0 0 24 10 1 0 0 0 0 25 17 1 0 0 0 0 26 25 1 0 0 0 0 6 3 1 0 0 0 0 20 18 2 0 0 0 0 9 10 1 0 0 0 0 M END > (STT-00032275) STT-00032275 > (STT-00032275) 1000 $$$$ -ISIS- 02101918162D 25 27 0 0 0 0 0 0 0 0999 V2000 0.6875 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1500 -0.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 0.0625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4708 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 1.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 1.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 11 1 0 0 0 0 11 7 1 0 0 0 0 12 5 1 0 0 0 0 13 7 2 0 0 0 0 14 8 2 0 0 0 0 15 12 2 0 0 0 0 16 12 1 0 0 0 0 17 8 1 0 0 0 0 18 21 1 0 0 0 0 19 4 1 0 0 0 0 20 15 1 0 0 0 0 21 16 2 0 0 0 0 22 18 1 0 0 0 0 23 10 1 0 0 0 0 24 10 1 0 0 0 0 25 17 1 0 0 0 0 3 6 1 0 0 0 0 18 20 2 0 0 0 0 10 9 1 0 0 0 0 M END > (STT-00032276) STT-00032276 > (STT-00032276) 1000 $$$$ -ISIS- 02101918162D 31 34 0 0 0 0 0 0 0 0999 V2000 -2.8833 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5833 -0.4042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7833 -0.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5833 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5625 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 -2.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7833 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 1.1500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8833 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 0.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 -0.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 0.1125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6375 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0208 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3208 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 8 3 0 0 0 0 10 2 1 0 0 0 0 11 12 1 0 0 0 0 12 7 1 0 0 0 0 13 4 1 0 0 0 0 14 7 2 0 0 0 0 15 13 2 0 0 0 0 16 13 1 0 0 0 0 17 18 1 0 0 0 0 18 23 1 0 0 0 0 19 27 2 0 0 0 0 20 21 1 0 0 0 0 21 17 1 0 0 0 0 22 15 1 0 0 0 0 23 16 2 0 0 0 0 24 6 1 0 0 0 0 25 19 1 0 0 0 0 26 28 2 0 0 0 0 27 29 1 0 0 0 0 28 20 1 0 0 0 0 29 20 2 0 0 0 0 30 11 1 0 0 0 0 31 11 1 0 0 0 0 11 10 1 0 0 0 0 5 6 1 0 0 0 0 18 22 2 0 0 0 0 26 19 1 0 0 0 0 M END > (STT-00032278) STT-00032278 > (STT-00032278) 2170 $$$$ -ISIS- 02101918162D 24 26 0 0 0 0 0 0 0 0999 V2000 0.6875 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3958 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -0.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 1.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 1.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 9 2 0 0 0 0 14 5 1 0 0 0 0 15 7 1 0 0 0 0 16 18 2 0 0 0 0 17 3 1 0 0 0 0 18 13 1 0 0 0 0 19 12 2 0 0 0 0 20 16 1 0 0 0 0 21 8 1 0 0 0 0 22 21 1 0 0 0 0 23 15 1 0 0 0 0 24 23 1 0 0 0 0 5 6 1 0 0 0 0 16 19 1 0 0 0 0 22 14 1 0 0 0 0 M END > (STT-00032279) STT-00032279 > (STT-00032279) 1000 $$$$ -ISIS- 02101918162D 21 22 0 0 0 0 0 0 0 0999 V2000 0.6375 0.1208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -0.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.6208 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -3.2167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7375 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 1.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -3.6792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -4.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 1.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 2.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -4.1000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 8 2 0 0 0 0 7 6 1 0 0 0 0 8 10 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 17 2 0 0 0 0 12 9 2 0 0 0 0 13 10 2 0 0 0 0 14 7 1 0 0 0 0 15 7 1 0 0 0 0 16 7 1 0 0 0 0 17 13 1 0 0 0 0 18 4 1 0 0 0 0 19 9 1 0 0 0 0 20 11 1 0 0 0 0 21 19 1 0 0 0 0 4 5 2 0 0 0 0 11 6 1 0 0 0 0 M END > (STT-00032288) STT-00032288 > (STT-00032288) 1160 $$$$ -ISIS- 02101918162D 23 25 0 0 0 0 0 0 0 0999 V2000 0.6875 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3958 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -0.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 1.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 1.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 9 2 0 0 0 0 14 5 1 0 0 0 0 15 7 1 0 0 0 0 16 18 2 0 0 0 0 17 3 1 0 0 0 0 18 13 1 0 0 0 0 19 12 2 0 0 0 0 20 16 1 0 0 0 0 21 8 1 0 0 0 0 22 21 1 0 0 0 0 23 15 1 0 0 0 0 6 5 1 0 0 0 0 19 16 1 0 0 0 0 14 22 1 0 0 0 0 M END > (STT-00032290) STT-00032290 > (STT-00032290) 1000 $$$$ -ISIS- 02101918162D 17 19 0 0 0 0 0 0 0 0999 V2000 -3.6208 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6208 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1208 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1208 0.0500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4208 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1625 -0.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1625 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6833 0.7708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6833 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1625 1.5708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4833 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9708 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3458 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0000 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3625 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7208 2.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2208 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 9 1 0 0 0 0 9 6 2 0 0 0 0 10 7 2 0 0 0 0 11 3 1 0 0 0 0 12 5 1 0 0 0 0 13 11 2 0 0 0 0 14 11 1 0 0 0 0 15 14 2 0 0 0 0 16 13 1 0 0 0 0 17 15 1 0 0 0 0 5 3 2 0 0 0 0 8 7 1 0 0 0 0 16 17 2 0 0 0 0 M END > (STT-00032316) STT-00032316 > (STT-00032316) 1000 $$$$ -ISIS- 02101918162D 35 39 0 0 0 0 0 0 0 0999 V2000 -2.2208 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 0.8500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 1.6708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.3000 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 0.1708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 0.9708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 0.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 0.8333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 -1.3042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4625 2.4708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 2.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4625 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9833 3.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9167 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 15 1 0 0 0 0 8 7 2 0 0 0 0 9 1 1 0 0 0 0 10 7 1 0 0 0 0 11 8 1 0 0 0 0 12 10 1 0 0 0 0 13 2 1 0 0 0 0 14 9 2 0 0 0 0 15 20 1 0 0 0 0 16 9 1 0 0 0 0 17 8 1 0 0 0 0 18 6 1 0 0 0 0 19 17 3 0 0 0 0 20 28 1 0 0 0 0 21 16 1 0 0 0 0 22 4 2 0 0 0 0 23 16 2 0 0 0 0 24 21 1 0 0 0 0 25 5 1 0 0 0 0 26 23 1 0 0 0 0 27 20 2 0 0 0 0 28 18 1 0 0 0 0 29 25 1 0 0 0 0 30 29 2 0 0 0 0 31 11 1 0 0 0 0 32 12 1 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 34 1 0 0 0 0 14 13 1 0 0 0 0 3 6 2 0 0 0 0 26 24 2 0 0 0 0 12 11 2 0 0 0 0 33 35 1 0 0 0 0 M END > (STT-00032327) STT-00032327 > (STT-00032327) 900 $$$$ -ISIS- 02101918162D 17 18 0 0 0 0 0 0 0 0999 V2000 -0.2708 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -0.6167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -0.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 1.8333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 -1.8167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.5333 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1125 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 7 3 0 0 0 0 9 6 1 0 0 0 0 10 9 2 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 16 1 0 0 0 0 14 12 1 0 0 0 0 15 9 1 0 0 0 0 16 17 1 0 0 0 0 17 15 1 0 0 0 0 5 4 2 0 0 0 0 14 11 1 0 0 0 0 M END > (STT-00032334) STT-00032334 > (STT-00032334) 1000 $$$$ -ISIS- 02101918162D 13 14 0 0 0 0 0 0 0 0999 V2000 1.7000 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 0.8333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 0.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 2.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 1 2 0 0 0 0 5 8 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 2 2 0 0 0 0 9 6 1 0 0 0 0 10 3 2 0 0 0 0 11 4 1 0 0 0 0 12 11 2 0 0 0 0 13 3 1 0 0 0 0 9 7 1 0 0 0 0 8 12 1 0 0 0 0 M END > (STT-00032373) STT-00032373 > (STT-00032373) 2000 $$$$ -ISIS- 02101918162D 17 19 0 0 0 0 0 0 0 0999 V2000 0.4667 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 2.3625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.1042 1.7958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 2.2458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0792 1.2208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 2.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 2.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 1.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 1.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7708 1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 9 1 0 0 0 0 9 4 1 0 0 0 0 10 2 2 0 0 0 0 11 2 2 0 0 0 0 12 6 1 0 0 0 0 13 7 1 0 0 0 0 14 12 2 0 0 0 0 15 13 2 0 0 0 0 16 14 1 0 0 0 0 17 16 1 0 0 0 0 6 7 2 0 0 0 0 2 8 1 0 0 0 0 14 15 1 0 0 0 0 M END > (STT-00032404) STT-00032404 > (STT-00032404) 1500 $$$$ -ISIS- 02101918162D 24 27 0 0 0 0 0 0 0 0999 V2000 1.9500 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 2.2458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 2.4625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 3.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 2.8458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1125 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 1.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 3.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 2.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3333 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6500 3.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 3 2 2 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 5 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 4 1 0 0 0 0 11 9 1 0 0 0 0 12 11 2 0 0 0 0 13 6 1 0 0 0 0 14 7 1 0 0 0 0 15 9 2 0 0 0 0 16 8 1 0 0 0 0 17 13 2 0 0 0 0 18 16 2 0 0 0 0 19 7 2 0 0 0 0 20 17 1 0 0 0 0 21 14 2 0 0 0 0 22 20 1 0 0 0 0 23 19 1 0 0 0 0 24 23 2 0 0 0 0 12 14 1 0 0 0 0 24 21 1 0 0 0 0 6 8 2 0 0 0 0 17 18 1 0 0 0 0 M END > (STT-00032410) STT-00032410 > (STT-00032410) 1000 $$$$ -ISIS- 02101918162D 9 9 0 0 0 0 0 0 0 0999 V2000 1.5000 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 0.1333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 0.2958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 1.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 3 2 0 0 0 0 8 2 1 0 0 0 0 9 3 1 0 0 0 0 4 6 1 0 0 0 0 M END > (STT-00032413) STT-00032413 > (STT-00032413) 1000 $$$$ -ISIS- 02101918162D 22 24 0 0 0 0 0 0 0 0999 V2000 -1.4833 -0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 -0.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 -0.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 0.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 1.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0625 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6625 -1.1542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2625 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6458 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8458 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 1.6333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 4 1 0 0 0 0 9 2 2 0 0 0 0 10 3 1 0 0 0 0 11 8 1 0 0 0 0 12 17 1 0 0 0 0 13 12 1 0 0 0 0 14 11 2 0 0 0 0 15 11 1 0 0 0 0 16 14 1 0 0 0 0 17 15 2 0 0 0 0 18 6 1 0 0 0 0 19 7 1 0 0 0 0 20 18 2 0 0 0 0 21 20 1 0 0 0 0 22 10 1 0 0 0 0 5 3 2 0 0 0 0 19 21 2 0 0 0 0 12 16 2 0 0 0 0 M END > (STT-00032422) STT-00032422 > (STT-00032422) 1000 $$$$ -ISIS- 02101918162D 26 25 0 0 0 0 0 0 0 0999 V2000 -3.6125 0.5000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.1792 -0.5500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -3.3125 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6125 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9333 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0958 0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1333 0.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 -0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3125 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6125 -1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 1.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6333 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 -1.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9125 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 13 1 0 0 0 0 3 6 1 0 0 0 0 4 19 1 0 0 0 0 5 4 1 0 0 0 0 6 14 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 2 2 0 0 0 0 12 2 2 0 0 0 0 13 5 1 0 0 0 0 14 1 1 0 0 0 0 15 3 2 0 0 0 0 16 4 2 0 0 0 0 17 8 2 0 0 0 0 18 7 2 0 0 0 0 19 22 1 0 0 0 0 20 3 1 0 0 0 0 21 20 1 0 0 0 0 22 23 1 0 0 0 0 23 26 1 0 0 0 0 24 21 1 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 M END > (STT-00032449) STT-00032449 > (STT-00032449) 1100 $$$$ -ISIS- 02101918162D 16 18 0 0 0 0 0 0 0 0999 V2000 -1.4333 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6125 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9125 -0.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 -0.4792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 0.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3458 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5333 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2333 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 9 1 0 0 0 0 8 5 1 0 0 0 0 9 4 2 0 0 0 0 10 3 2 0 0 0 0 11 6 1 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 13 1 0 0 0 0 15 11 1 0 0 0 0 16 12 1 0 0 0 0 6 8 2 0 0 0 0 3 7 1 0 0 0 0 15 16 1 0 0 0 0 M END > (STT-00032464) STT-00032464 > (STT-00032464) 1000 $$$$ -ISIS- 02101918162D 12 13 0 0 0 0 0 0 0 0999 V2000 0.5000 0.2208 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.0458 0.5458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -0.4292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5000 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 0.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 8 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 5 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 9 2 0 0 0 0 12 10 2 0 0 0 0 3 4 1 0 0 0 0 11 12 1 0 0 0 0 M END > (STT-00032479) STT-00032479 > (STT-00032479) 1000 $$$$ -ISIS- 02101918162D 28 30 0 0 0 0 0 0 0 0999 V2000 2.5542 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1417 -1.7792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -1.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -1.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -0.9542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.0125 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 0.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 -0.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6417 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 0.1083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6042 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7875 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1917 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 0.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3042 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0875 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 14 1 0 0 0 0 10 8 1 0 0 0 0 11 3 1 0 0 0 0 12 7 2 0 0 0 0 13 8 2 0 0 0 0 14 10 1 0 0 0 0 15 7 1 0 0 0 0 16 9 1 0 0 0 0 17 9 1 0 0 0 0 18 11 1 0 0 0 0 19 11 2 0 0 0 0 20 15 1 0 0 0 0 21 17 1 0 0 0 0 22 16 1 0 0 0 0 23 20 1 0 0 0 0 24 19 1 0 0 0 0 25 18 2 0 0 0 0 26 24 2 0 0 0 0 27 21 1 0 0 0 0 28 22 1 0 0 0 0 4 5 1 0 0 0 0 26 25 1 0 0 0 0 27 28 1 0 0 0 0 M END > (STT-00032489) STT-00032489 > (STT-00032489) 4000 > (STT-00032489) C2H2O4 $$$$ -ISIS- 02101918162D 24 27 0 0 0 0 0 0 0 0999 V2000 3.3500 0.6333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.8000 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -0.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 -0.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 0.6708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5167 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3542 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 1.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 9 1 0 0 0 0 8 1 1 0 0 0 0 9 13 2 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 12 10 1 0 0 0 0 13 12 1 0 0 0 0 14 5 1 0 0 0 0 15 7 1 0 0 0 0 16 11 1 0 0 0 0 17 8 2 0 0 0 0 18 17 1 0 0 0 0 19 10 2 0 0 0 0 20 6 1 0 0 0 0 21 22 2 0 0 0 0 22 13 1 0 0 0 0 23 15 1 0 0 0 0 24 16 1 0 0 0 0 4 3 1 0 0 0 0 18 14 2 0 0 0 0 11 7 2 0 0 0 0 24 23 1 0 0 0 0 M END > (STT-00032492) STT-00032492 > (STT-00032492) 1220 $$$$ -ISIS- 02101918162D 29 32 0 0 0 0 0 0 0 0999 V2000 -1.4958 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 -2.6000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -2.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -0.9042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 0.0500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 3.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 1.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 2.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7708 2.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5625 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2458 3.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0333 3.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 6 1 0 0 0 0 5 7 2 0 0 0 0 6 1 2 0 0 0 0 7 11 1 0 0 0 0 8 5 1 0 0 0 0 9 7 1 0 0 0 0 10 9 2 0 0 0 0 11 16 1 0 0 0 0 12 1 1 0 0 0 0 13 17 2 0 0 0 0 14 3 1 0 0 0 0 15 11 2 0 0 0 0 16 18 1 0 0 0 0 17 15 1 0 0 0 0 18 14 1 0 0 0 0 19 12 2 0 0 0 0 20 14 2 0 0 0 0 21 2 1 0 0 0 0 22 12 1 0 0 0 0 23 6 1 0 0 0 0 24 9 1 0 0 0 0 25 10 1 0 0 0 0 26 22 1 0 0 0 0 27 24 1 0 0 0 0 28 27 1 0 0 0 0 29 26 1 0 0 0 0 3 4 1 0 0 0 0 5 13 1 0 0 0 0 10 8 1 0 0 0 0 25 28 1 0 0 0 0 M END > (STT-00032496) STT-00032496 > (STT-00032496) 1300 $$$$ -ISIS- 02101918162D 26 29 0 0 0 0 0 0 0 0999 V2000 0.0667 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -1.2542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 0.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -1.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 0.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 0.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 3.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 3.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 3.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 3 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 10 3 2 0 0 0 0 11 8 1 0 0 0 0 12 11 1 0 0 0 0 13 12 2 0 0 0 0 14 10 1 0 0 0 0 15 8 2 0 0 0 0 16 18 2 0 0 0 0 17 11 2 0 0 0 0 18 17 1 0 0 0 0 19 5 1 0 0 0 0 20 13 1 0 0 0 0 21 6 1 0 0 0 0 22 16 1 0 0 0 0 23 20 1 0 0 0 0 24 22 1 0 0 0 0 25 19 1 0 0 0 0 26 25 1 0 0 0 0 6 4 1 0 0 0 0 9 14 2 0 0 0 0 21 26 1 0 0 0 0 13 16 1 0 0 0 0 M END > (STT-00032499) STT-00032499 > (STT-00032499) 1260 $$$$ -ISIS- 02101918162D 24 26 0 0 0 0 0 0 0 0999 V2000 3.2792 0.1000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3792 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 1.0625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 2.9625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.7167 0.4208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 1.2833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 3.0208 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8500 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 3.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 2.2083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4000 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 8 1 0 0 0 0 7 3 2 0 0 0 0 8 10 2 0 0 0 0 9 7 1 0 0 0 0 10 9 1 0 0 0 0 11 2 2 0 0 0 0 12 6 1 0 0 0 0 13 1 1 0 0 0 0 14 6 2 0 0 0 0 15 5 1 0 0 0 0 16 8 1 0 0 0 0 17 10 1 0 0 0 0 18 13 2 0 0 0 0 19 13 1 0 0 0 0 20 21 1 0 0 0 0 21 17 2 0 0 0 0 22 18 1 0 0 0 0 23 19 2 0 0 0 0 24 23 1 0 0 0 0 3 5 1 0 0 0 0 24 22 2 0 0 0 0 20 16 2 0 0 0 0 M CHG 2 6 1 12 -1 M END > (STT-00032509) STT-00032509 > (STT-00032509) 900 $$$$ -ISIS- 02101918162D 22 23 0 0 0 0 0 0 0 0999 V2000 -1.1958 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -0.7542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 -0.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3125 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 1.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9708 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 0.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2625 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4458 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7333 2.2083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 9 2 0 0 0 0 14 7 1 0 0 0 0 15 17 2 0 0 0 0 16 12 2 0 0 0 0 17 13 1 0 0 0 0 18 15 1 0 0 0 0 19 20 1 0 0 0 0 20 8 1 0 0 0 0 21 14 1 0 0 0 0 22 21 1 0 0 0 0 4 5 1 0 0 0 0 15 16 1 0 0 0 0 M END > (STT-00032511) STT-00032511 > (STT-00032511) 1000 $$$$ -ISIS- 02101918162D 28 31 0 0 0 0 0 0 0 0999 V2000 -0.6708 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 0.0333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6125 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 0.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -0.1167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9000 0.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9125 2.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 1.6333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 10 6 2 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 9 1 0 0 0 0 14 8 1 0 0 0 0 15 4 1 0 0 0 0 16 7 1 0 0 0 0 17 12 1 0 0 0 0 18 12 2 0 0 0 0 19 13 2 0 0 0 0 20 13 1 0 0 0 0 21 15 1 0 0 0 0 22 16 1 0 0 0 0 23 20 2 0 0 0 0 24 17 2 0 0 0 0 25 18 1 0 0 0 0 26 19 1 0 0 0 0 27 23 1 0 0 0 0 28 25 2 0 0 0 0 7 4 2 0 0 0 0 22 21 1 0 0 0 0 26 27 2 0 0 0 0 28 24 1 0 0 0 0 M END > (STT-00032517) STT-00032517 > (STT-00032517) 1000 $$$$ -ISIS- 02101918162D 28 31 0 0 0 0 0 0 0 0999 V2000 -0.3125 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 -0.0042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 0.4458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -0.1500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3000 -0.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 10 6 2 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 9 1 0 0 0 0 14 8 1 0 0 0 0 15 4 1 0 0 0 0 16 7 1 0 0 0 0 17 12 2 0 0 0 0 18 13 2 0 0 0 0 19 13 1 0 0 0 0 20 12 1 0 0 0 0 21 15 1 0 0 0 0 22 16 1 0 0 0 0 23 18 1 0 0 0 0 24 19 2 0 0 0 0 25 20 2 0 0 0 0 26 17 1 0 0 0 0 27 25 1 0 0 0 0 28 24 1 0 0 0 0 4 7 2 0 0 0 0 21 22 1 0 0 0 0 28 23 2 0 0 0 0 26 27 2 0 0 0 0 M END > (STT-00032524) STT-00032524 > (STT-00032524) 2000 $$$$ -ISIS- 02101918162D 27 30 0 0 0 0 0 0 0 0999 V2000 -1.6458 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 -0.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -0.7167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 1.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7292 2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 0.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -1.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9208 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9208 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5833 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2083 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 8 1 0 0 0 0 7 1 1 0 0 0 0 8 16 2 0 0 0 0 9 22 1 0 0 0 0 10 20 1 0 0 0 0 11 9 1 0 0 0 0 12 6 1 0 0 0 0 13 5 1 0 0 0 0 14 4 1 0 0 0 0 15 10 1 0 0 0 0 16 11 1 0 0 0 0 17 3 1 0 0 0 0 18 12 1 0 0 0 0 19 9 2 0 0 0 0 20 24 2 0 0 0 0 21 7 2 0 0 0 0 22 17 1 0 0 0 0 23 21 1 0 0 0 0 24 16 1 0 0 0 0 25 21 1 0 0 0 0 26 5 1 0 0 0 0 27 25 1 0 0 0 0 23 14 2 0 0 0 0 13 3 2 0 0 0 0 10 6 2 0 0 0 0 15 18 1 0 0 0 0 M END > (STT-00032526) STT-00032526 > (STT-00032526) 1000 $$$$ -ISIS- 02101918162D 32 34 0 0 0 0 0 0 0 0999 V2000 -1.1000 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 -2.3292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -2.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5833 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -1.6500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3000 -0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -0.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2208 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 0.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8458 -2.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -3.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 -3.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4625 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -3.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -4.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 7 1 0 0 0 0 11 7 2 0 0 0 0 12 8 2 0 0 0 0 13 9 2 0 0 0 0 14 10 1 0 0 0 0 15 10 1 0 0 0 0 16 3 1 0 0 0 0 17 8 1 0 0 0 0 18 9 1 0 0 0 0 19 14 1 0 0 0 0 20 14 2 0 0 0 0 21 15 2 0 0 0 0 22 15 1 0 0 0 0 23 17 1 0 0 0 0 24 18 1 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 27 22 2 0 0 0 0 28 19 2 0 0 0 0 29 20 1 0 0 0 0 30 21 1 0 0 0 0 31 29 2 0 0 0 0 32 27 1 0 0 0 0 3 4 2 0 0 0 0 32 30 2 0 0 0 0 28 31 1 0 0 0 0 M END > (STT-00032529) STT-00032529 > (STT-00032529) 2140 $$$$ -ISIS- 02101918162D 31 35 0 0 0 0 0 0 0 0999 V2000 1.1542 -0.1792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.7000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 0.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 0.8333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -0.4167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 0.7333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3708 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 0.2708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 2.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 0.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 2.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 2.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3333 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4792 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 2.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 13 1 0 0 0 0 4 3 2 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 4 1 0 0 0 0 10 5 2 0 0 0 0 11 7 1 0 0 0 0 12 1 1 0 0 0 0 13 17 1 0 0 0 0 14 12 2 0 0 0 0 15 4 1 0 0 0 0 16 5 1 0 0 0 0 17 20 1 0 0 0 0 18 15 2 0 0 0 0 19 17 2 0 0 0 0 20 16 1 0 0 0 0 21 15 1 0 0 0 0 22 9 1 0 0 0 0 23 11 1 0 0 0 0 24 12 1 0 0 0 0 25 14 1 0 0 0 0 26 21 1 0 0 0 0 27 22 1 0 0 0 0 28 23 1 0 0 0 0 29 24 2 0 0 0 0 30 29 1 0 0 0 0 31 26 1 0 0 0 0 14 8 1 0 0 0 0 6 10 1 0 0 0 0 25 30 2 0 0 0 0 9 11 2 0 0 0 0 27 28 1 0 0 0 0 M END > (STT-00032538) STT-00032538 > (STT-00032538) 1000 $$$$ -ISIS- 02101918162D 20 22 0 0 0 0 0 0 0 0999 V2000 4.3875 -5.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.6667 -4.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -6.0792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.6792 -6.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6917 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4667 -6.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4792 -5.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9625 -5.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -6.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -6.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 -4.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -4.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -6.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5375 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -4.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -6.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2542 -5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -4.8375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 17 1 0 0 0 0 4 9 1 0 0 0 0 5 15 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 9 13 2 0 0 0 0 10 1 1 0 0 0 0 11 1 1 0 0 0 0 12 2 2 0 0 0 0 13 14 1 0 0 0 0 14 3 1 0 0 0 0 15 18 2 0 0 0 0 16 10 1 0 0 0 0 17 11 1 0 0 0 0 18 13 1 0 0 0 0 19 2 1 0 0 0 0 20 19 1 0 0 0 0 3 16 1 0 0 0 0 4 5 2 0 0 0 0 7 8 1 0 0 0 0 M END > (STT-00032540) STT-00032540 > (STT-00032540) 1000 > (STT-00032540) HCl $$$$ -ISIS- 02101918162D 24 27 0 0 0 0 0 0 0 0999 V2000 -1.1208 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 2.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 2.2083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 2.0208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 2.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 3.1708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 3.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 1.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 0.7625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 1.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9708 2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 9 1 0 0 0 0 8 5 1 0 0 0 0 9 4 2 0 0 0 0 10 13 1 0 0 0 0 11 10 2 0 0 0 0 12 3 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 9 1 0 0 0 0 16 13 2 0 0 0 0 17 20 2 0 0 0 0 18 10 1 0 0 0 0 19 6 1 0 0 0 0 20 16 1 0 0 0 0 21 17 1 0 0 0 0 22 8 1 0 0 0 0 23 19 1 0 0 0 0 24 22 1 0 0 0 0 8 6 2 0 0 0 0 3 7 1 0 0 0 0 24 23 1 0 0 0 0 11 17 1 0 0 0 0 M END > (STT-00032542) STT-00032542 > (STT-00032542) 1000 $$$$ -ISIS- 02101918162D 20 21 0 0 0 0 0 0 0 0999 V2000 -0.3500 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -0.6000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -0.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 1.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 0.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 1.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4333 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 7 1 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 15 9 2 0 0 0 0 16 12 1 0 0 0 0 17 16 1 0 0 0 0 18 15 1 0 0 0 0 19 14 2 0 0 0 0 20 18 2 0 0 0 0 5 4 1 0 0 0 0 20 19 1 0 0 0 0 M END > (STT-00032553) STT-00032553 > (STT-00032553) 2000 $$$$ -ISIS- 02101918162D 29 32 0 0 0 0 0 0 0 0999 V2000 -1.4458 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 0.6458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 1.4208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.5458 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 0.4833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 0.8333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2625 1.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -0.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 0.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 6 1 0 0 0 0 11 4 2 0 0 0 0 12 16 1 0 0 0 0 13 12 1 0 0 0 0 14 5 1 0 0 0 0 15 12 2 0 0 0 0 16 10 1 0 0 0 0 17 14 1 0 0 0 0 18 17 2 0 0 0 0 19 13 1 0 0 0 0 20 8 1 0 0 0 0 21 9 1 0 0 0 0 22 19 1 0 0 0 0 23 22 2 0 0 0 0 24 22 1 0 0 0 0 25 20 1 0 0 0 0 26 25 1 0 0 0 0 27 24 2 0 0 0 0 28 23 1 0 0 0 0 29 27 1 0 0 0 0 7 9 1 0 0 0 0 3 6 2 0 0 0 0 21 26 1 0 0 0 0 29 28 2 0 0 0 0 M END > (STT-00032594) STT-00032594 > (STT-00032594) 1000 $$$$ -ISIS- 02101918162D 31 32 0 0 0 0 0 0 0 0999 V2000 -2.7958 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5125 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2625 -0.3000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 -0.1167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2958 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1125 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6833 0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 0.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8708 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -0.3000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 1.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4958 -0.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 0.2208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 0.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1125 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2958 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 12 2 0 0 0 0 11 10 1 0 0 0 0 12 24 1 0 0 0 0 13 7 2 0 0 0 0 14 8 2 0 0 0 0 15 9 2 0 0 0 0 16 12 1 0 0 0 0 17 22 1 0 0 0 0 18 3 1 0 0 0 0 19 10 1 0 0 0 0 20 7 1 0 0 0 0 21 8 1 0 0 0 0 22 16 2 0 0 0 0 23 17 1 0 0 0 0 24 28 1 0 0 0 0 25 9 1 0 0 0 0 26 21 1 0 0 0 0 27 20 1 0 0 0 0 28 29 1 0 0 0 0 29 25 1 0 0 0 0 30 27 1 0 0 0 0 31 26 1 0 0 0 0 4 3 2 0 0 0 0 17 11 2 0 0 0 0 M END > (STT-00032599) STT-00032599 > (STT-00032599) 1000 $$$$ -ISIS- 02101918162D 33 37 0 0 0 0 0 0 0 0999 V2000 -0.6708 -1.2667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.3125 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 -1.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 -2.3292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 -0.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 0.7708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 1.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 -0.0042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 3.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 0.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 2.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 2.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 2.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 2.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 3.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 2.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 13 1 0 0 0 0 5 1 1 0 0 0 0 6 2 2 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 5 2 0 0 0 0 10 4 1 0 0 0 0 11 1 1 0 0 0 0 12 10 1 0 0 0 0 13 17 1 0 0 0 0 14 11 2 0 0 0 0 15 3 1 0 0 0 0 16 5 1 0 0 0 0 17 21 1 0 0 0 0 18 7 1 0 0 0 0 19 15 2 0 0 0 0 20 17 2 0 0 0 0 21 16 1 0 0 0 0 22 15 1 0 0 0 0 23 11 1 0 0 0 0 24 14 1 0 0 0 0 25 18 2 0 0 0 0 26 18 1 0 0 0 0 27 22 1 0 0 0 0 28 23 2 0 0 0 0 29 28 1 0 0 0 0 30 27 1 0 0 0 0 31 26 2 0 0 0 0 32 25 1 0 0 0 0 33 31 1 0 0 0 0 14 8 1 0 0 0 0 9 6 1 0 0 0 0 29 24 2 0 0 0 0 7 12 2 0 0 0 0 33 32 2 0 0 0 0 M END > (STT-00032631) STT-00032631 > (STT-00032631) 1000 $$$$ -ISIS- 02101918162D 15 15 0 0 0 0 0 0 0 0999 V2000 -0.2833 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 -0.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 1.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -0.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 -1.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5833 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5625 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3458 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 1 2 0 0 0 0 6 3 1 0 0 0 0 7 4 2 0 0 0 0 8 2 1 0 0 0 0 9 6 2 0 0 0 0 10 4 1 0 0 0 0 11 9 1 0 0 0 0 12 3 2 0 0 0 0 13 12 1 0 0 0 0 14 13 2 0 0 0 0 15 11 1 0 0 0 0 14 9 1 0 0 0 0 M END > (STT-00032654) STT-00032654 > (STT-00032654) 1000 $$$$ -ISIS- 02101918162D 26 29 0 0 0 0 0 0 0 0999 V2000 2.4667 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -0.0250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.7417 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -0.8792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.0542 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 1.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5542 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0417 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6042 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 -3.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -3.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 11 1 0 0 0 0 6 3 2 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 2 1 0 0 0 0 10 5 1 0 0 0 0 11 9 1 0 0 0 0 12 8 1 0 0 0 0 13 6 1 0 0 0 0 14 10 1 0 0 0 0 15 3 1 0 0 0 0 16 15 2 0 0 0 0 17 6 1 0 0 0 0 18 16 1 0 0 0 0 19 13 1 0 0 0 0 20 14 2 0 0 0 0 21 14 1 0 0 0 0 22 17 2 0 0 0 0 23 22 1 0 0 0 0 24 20 1 0 0 0 0 25 21 2 0 0 0 0 26 25 1 0 0 0 0 12 5 1 0 0 0 0 18 13 2 0 0 0 0 23 19 2 0 0 0 0 24 26 2 0 0 0 0 M END > (STT-00032663) STT-00032663 > (STT-00032663) 1000 > (STT-00032663) HCl $$$$ -ISIS- 02101918162D 17 19 0 0 0 0 0 0 0 0999 V2000 5.9667 -0.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5500 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8000 -0.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8042 -1.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0417 -1.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2167 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3250 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -3.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8125 -3.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4917 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 5 2 0 0 0 0 9 4 2 0 0 0 0 10 6 2 0 0 0 0 11 7 1 0 0 0 0 12 7 2 0 0 0 0 13 9 1 0 0 0 0 14 10 1 0 0 0 0 15 12 1 0 0 0 0 16 11 2 0 0 0 0 17 15 2 0 0 0 0 6 4 1 0 0 0 0 14 13 2 0 0 0 0 17 16 1 0 0 0 0 M END > (STT-00032706) STT-00032706 > (STT-00032706) 1000 $$$$ -ISIS- 02101918162D 22 25 0 0 0 0 0 0 0 0999 V2000 0.3792 1.4833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.9167 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 1.3458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 0.7833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 0.3625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 3.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 1.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 9 1 0 0 0 0 9 4 2 0 0 0 0 10 3 1 0 0 0 0 11 10 1 0 0 0 0 12 4 1 0 0 0 0 13 8 1 0 0 0 0 14 11 1 0 0 0 0 15 9 1 0 0 0 0 16 14 1 0 0 0 0 17 14 2 0 0 0 0 18 12 2 0 0 0 0 19 18 1 0 0 0 0 20 16 2 0 0 0 0 21 17 1 0 0 0 0 22 21 2 0 0 0 0 6 5 1 0 0 0 0 8 7 2 0 0 0 0 19 15 2 0 0 0 0 20 22 1 0 0 0 0 M END > (STT-00032722) STT-00032722 > (STT-00032722) 1000 $$$$ -ISIS- 02101918162D 46 47 0 0 0 0 0 0 0 0999 V2000 -3.6000 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9458 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9458 0.5333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -1.0500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -0.8167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0125 1.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7458 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9708 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 0.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 2.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5208 0.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9042 -1.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9833 0.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -1.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9708 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1208 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9083 -0.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -0.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7083 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3500 -0.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0708 2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2833 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 11 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 1 1 0 0 0 0 10 2 1 0 0 0 0 11 18 1 0 0 0 0 12 1 1 0 0 0 0 13 3 1 0 0 0 0 14 4 1 0 0 0 0 15 7 1 0 0 0 0 16 8 1 0 0 0 0 17 12 1 0 0 0 0 18 32 1 0 0 0 0 19 14 2 0 0 0 0 20 13 2 0 0 0 0 21 15 2 0 0 0 0 22 16 2 0 0 0 0 23 17 2 0 0 0 0 24 18 2 0 0 0 0 25 5 1 0 0 0 0 26 6 1 0 0 0 0 27 13 1 0 0 0 0 28 14 1 0 0 0 0 29 15 1 0 0 0 0 30 16 1 0 0 0 0 31 17 1 0 0 0 0 32 37 1 0 0 0 0 33 27 1 0 0 0 0 34 28 1 0 0 0 0 35 30 1 0 0 0 0 36 29 1 0 0 0 0 37 42 1 0 0 0 0 38 31 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 38 1 0 0 0 0 42 39 1 0 0 0 0 43 34 1 0 0 0 0 44 35 1 0 0 0 0 45 33 1 0 0 0 0 46 36 1 0 0 0 0 5 7 2 0 0 0 0 6 8 2 0 0 0 0 M END > (STT-00032731) STT-00032731 > (STT-00032731) 1000 $$$$ -ISIS- 02101918162D 20 23 0 0 0 0 0 0 0 0999 V2000 -0.2000 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 1.5000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.2000 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 0.5208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 0.6458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 0.5458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 2.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 4 2 0 0 0 0 11 2 1 0 0 0 0 12 5 2 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 15 13 1 0 0 0 0 16 11 2 0 0 0 0 17 11 1 0 0 0 0 18 16 1 0 0 0 0 19 17 2 0 0 0 0 20 19 1 0 0 0 0 7 9 1 0 0 0 0 4 6 1 0 0 0 0 15 14 1 0 0 0 0 18 20 2 0 0 0 0 M END > (STT-00032810) STT-00032810 > (STT-00032810) 1000 $$$$ -ISIS- 02101918162D 16 17 0 0 0 0 0 0 0 0999 V2000 -2.6833 0.0125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.3708 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9958 -1.1042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7792 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 -2.8000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4958 2.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 2.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7542 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 9 1 0 0 0 0 7 2 2 0 0 0 0 8 3 1 0 0 0 0 9 15 2 0 0 0 0 10 3 2 0 0 0 0 11 6 2 0 0 0 0 12 5 1 0 0 0 0 13 5 2 0 0 0 0 14 12 2 0 0 0 0 15 13 1 0 0 0 0 16 6 1 0 0 0 0 4 8 1 0 0 0 0 9 14 1 0 0 0 0 M END > (STT-00032825) STT-00032825 > (STT-00032825) 1000 $$$$ -ISIS- 02101918162D 27 29 0 0 0 0 0 0 0 0999 V2000 0.0042 0.4500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.1208 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -0.3167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -0.2792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 1.2333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8000 0.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 1.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 1.5958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 0.7333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 1.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 1 1 0 0 0 0 8 2 2 0 0 0 0 9 11 1 0 0 0 0 10 3 2 0 0 0 0 11 15 1 0 0 0 0 12 6 1 0 0 0 0 13 7 2 0 0 0 0 14 7 1 0 0 0 0 15 23 2 0 0 0 0 16 9 1 0 0 0 0 17 9 1 0 0 0 0 18 20 1 0 0 0 0 19 13 1 0 0 0 0 20 14 2 0 0 0 0 21 12 1 0 0 0 0 22 12 2 0 0 0 0 23 22 1 0 0 0 0 24 21 2 0 0 0 0 25 18 1 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 5 4 1 0 0 0 0 18 19 2 0 0 0 0 24 15 1 0 0 0 0 M END > (STT-00032853) STT-00032853 > (STT-00032853) 1000 $$$$ -ISIS- 02101918162D 27 30 0 0 0 0 0 0 0 0999 V2000 -1.6958 -1.8042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.1708 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6333 -0.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9833 -1.3000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -0.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 -2.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 -2.1000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 1.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -3.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1125 -3.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7208 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5958 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 1 1 0 0 0 0 8 7 2 0 0 0 0 9 3 1 0 0 0 0 10 12 1 0 0 0 0 11 16 1 0 0 0 0 12 17 2 0 0 0 0 13 11 1 0 0 0 0 14 10 2 0 0 0 0 15 11 2 0 0 0 0 16 9 1 0 0 0 0 17 22 1 0 0 0 0 18 21 2 0 0 0 0 19 13 1 0 0 0 0 20 10 1 0 0 0 0 21 19 1 0 0 0 0 22 19 2 0 0 0 0 23 7 1 0 0 0 0 24 8 1 0 0 0 0 25 20 1 0 0 0 0 26 23 2 0 0 0 0 27 26 1 0 0 0 0 8 5 1 0 0 0 0 4 6 1 0 0 0 0 27 24 2 0 0 0 0 12 18 1 0 0 0 0 M END > (STT-00032868) STT-00032868 > (STT-00032868) 1000 $$$$ -ISIS- 02101918162D 36 39 0 0 0 0 0 0 0 0999 V2000 -2.5333 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9958 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9958 -1.2292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -1.1292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -0.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -0.5167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 0.9625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1000 1.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 0.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 1.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2333 1.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4125 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4125 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0208 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0708 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3167 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0708 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5333 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 1 1 0 0 0 0 12 15 1 0 0 0 0 13 4 1 0 0 0 0 14 3 1 0 0 0 0 15 18 1 0 0 0 0 16 11 1 0 0 0 0 17 16 1 0 0 0 0 18 17 2 0 0 0 0 19 14 2 0 0 0 0 20 13 2 0 0 0 0 21 15 2 0 0 0 0 22 16 2 0 0 0 0 23 13 1 0 0 0 0 24 14 1 0 0 0 0 25 7 1 0 0 0 0 26 8 1 0 0 0 0 27 10 1 0 0 0 0 28 9 1 0 0 0 0 29 23 1 0 0 0 0 30 24 1 0 0 0 0 31 25 1 0 0 0 0 32 26 1 0 0 0 0 33 28 1 0 0 0 0 34 27 1 0 0 0 0 35 30 1 0 0 0 0 36 29 1 0 0 0 0 9 7 2 0 0 0 0 33 31 1 0 0 0 0 8 10 2 0 0 0 0 32 34 1 0 0 0 0 M END > (STT-00032880) STT-00032880 > (STT-00032880) 1000 $$$$ -ISIS- 02101918162D 17 19 0 0 0 0 0 0 0 0999 V2000 -0.3625 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 1.0958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 2.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -0.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 2 0 0 0 0 7 3 2 0 0 0 0 8 12 1 0 0 0 0 9 6 1 0 0 0 0 10 4 1 0 0 0 0 11 5 1 0 0 0 0 12 9 2 0 0 0 0 13 16 1 0 0 0 0 14 9 1 0 0 0 0 15 10 2 0 0 0 0 16 14 2 0 0 0 0 17 11 2 0 0 0 0 5 4 2 0 0 0 0 17 15 1 0 0 0 0 8 13 2 0 0 0 0 M END > (STT-00032900) STT-00032900 > (STT-00032900) 1000 $$$$ -ISIS- 02101918162D 28 31 0 0 0 0 0 0 0 0999 V2000 0.4500 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 1.3708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.1542 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 1.6708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 -0.5500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0500 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2333 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3333 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9125 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9625 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6583 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 1 0 0 0 0 4 10 2 0 0 0 0 5 7 1 0 0 0 0 6 9 1 0 0 0 0 7 1 2 0 0 0 0 8 11 2 0 0 0 0 9 5 2 0 0 0 0 10 1 1 0 0 0 0 11 5 1 0 0 0 0 12 6 1 0 0 0 0 13 2 1 0 0 0 0 14 3 2 0 0 0 0 15 12 1 0 0 0 0 16 12 2 0 0 0 0 17 8 1 0 0 0 0 18 9 1 0 0 0 0 19 15 2 0 0 0 0 20 16 1 0 0 0 0 21 20 2 0 0 0 0 22 10 1 0 0 0 0 23 13 2 0 0 0 0 24 13 1 0 0 0 0 25 21 1 0 0 0 0 26 24 2 0 0 0 0 27 23 1 0 0 0 0 28 26 1 0 0 0 0 2 4 1 0 0 0 0 6 8 1 0 0 0 0 28 27 2 0 0 0 0 21 19 1 0 0 0 0 M END > (STT-00032902) STT-00032902 > (STT-00032902) 1000 $$$$ -ISIS- 02101918162D 17 18 0 0 0 0 0 0 0 0999 V2000 -0.6833 1.1333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.3333 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 1.1333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 0.9458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 0.1458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4708 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 0.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 1.5208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0208 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1958 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 2 2 0 0 0 0 10 6 2 0 0 0 0 11 4 2 0 0 0 0 12 5 2 0 0 0 0 13 10 1 0 0 0 0 14 6 1 0 0 0 0 15 10 1 0 0 0 0 16 14 2 0 0 0 0 17 16 1 0 0 0 0 7 8 1 0 0 0 0 15 17 2 0 0 0 0 M END > (STT-00032946) STT-00032946 > (STT-00032946) 3000 $$$$ -ISIS- 02101918162D 24 26 0 0 0 0 0 0 0 0999 V2000 -1.9708 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 0.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6125 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 0.9833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.9958 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 -0.0167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 0.4208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 0.1333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 1.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7833 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 12 1 0 0 0 0 11 6 1 0 0 0 0 12 15 1 0 0 0 0 13 10 1 0 0 0 0 14 4 2 0 0 0 0 15 11 1 0 0 0 0 16 10 2 0 0 0 0 17 13 1 0 0 0 0 18 5 1 0 0 0 0 19 12 2 0 0 0 0 20 16 1 0 0 0 0 21 18 1 0 0 0 0 22 21 2 0 0 0 0 23 8 1 0 0 0 0 24 9 1 0 0 0 0 7 9 1 0 0 0 0 6 3 2 0 0 0 0 17 20 2 0 0 0 0 M END > (STT-00032966) STT-00032966 > (STT-00032966) 1000 $$$$ -ISIS- 02101918162D 28 31 0 0 0 0 0 0 0 0999 V2000 -0.6208 -1.5667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.1208 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -0.7292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -0.6667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -1.2667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -1.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 -2.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 0.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 2 1 0 0 0 0 8 9 1 0 0 0 0 9 4 2 0 0 0 0 10 3 1 0 0 0 0 11 14 1 0 0 0 0 12 11 1 0 0 0 0 13 11 2 0 0 0 0 14 10 1 0 0 0 0 15 12 1 0 0 0 0 16 4 1 0 0 0 0 17 22 1 0 0 0 0 18 8 1 0 0 0 0 19 15 2 0 0 0 0 20 15 1 0 0 0 0 21 19 1 0 0 0 0 22 20 2 0 0 0 0 23 9 1 0 0 0 0 24 17 1 0 0 0 0 25 24 1 0 0 0 0 26 16 2 0 0 0 0 27 26 1 0 0 0 0 28 25 1 0 0 0 0 5 6 1 0 0 0 0 8 7 2 0 0 0 0 27 23 2 0 0 0 0 21 17 2 0 0 0 0 M END > (STT-00032967) STT-00032967 > (STT-00032967) 1000 $$$$ -ISIS- 02101918162D 31 34 0 0 0 0 0 0 0 0999 V2000 -1.8458 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 -1.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 0.0208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.2000 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 -1.7000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 -0.9500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 1.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -2.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 1.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -3.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2625 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3458 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0833 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 6 1 0 0 0 0 11 14 1 0 0 0 0 12 4 2 0 0 0 0 13 19 1 0 0 0 0 14 22 2 0 0 0 0 15 13 1 0 0 0 0 16 5 1 0 0 0 0 17 11 2 0 0 0 0 18 13 2 0 0 0 0 19 10 1 0 0 0 0 20 16 1 0 0 0 0 21 28 2 0 0 0 0 22 29 1 0 0 0 0 23 20 2 0 0 0 0 24 15 1 0 0 0 0 25 8 1 0 0 0 0 26 11 1 0 0 0 0 27 9 1 0 0 0 0 28 24 1 0 0 0 0 29 24 2 0 0 0 0 30 25 1 0 0 0 0 31 26 1 0 0 0 0 7 9 1 0 0 0 0 30 27 1 0 0 0 0 3 6 2 0 0 0 0 14 21 1 0 0 0 0 M END > (STT-00032982) STT-00032982 > (STT-00032982) 1000 $$$$ -ISIS- 02101918162D 27 30 0 0 0 0 0 0 0 0999 V2000 -0.8833 1.4708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 1.9958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 2.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 3.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 3.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 3.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 3.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 3.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 9 1 0 0 0 0 9 12 1 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 11 2 0 0 0 0 13 4 1 0 0 0 0 14 8 2 0 0 0 0 15 5 1 0 0 0 0 16 6 1 0 0 0 0 17 19 1 0 0 0 0 18 8 1 0 0 0 0 19 10 2 0 0 0 0 20 17 2 0 0 0 0 21 13 2 0 0 0 0 22 13 1 0 0 0 0 23 15 2 0 0 0 0 24 23 1 0 0 0 0 25 22 2 0 0 0 0 26 21 1 0 0 0 0 27 25 1 0 0 0 0 2 6 2 0 0 0 0 26 27 2 0 0 0 0 16 24 2 0 0 0 0 12 20 1 0 0 0 0 M END > (STT-00032989) STT-00032989 > (STT-00032989) 1500 $$$$ -ISIS- 02101918162D 21 23 0 0 0 0 0 0 0 0999 V2000 2.3500 0.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 2.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2625 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 0.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 2.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 0.9708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 -0.5167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 0.0708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 2 0 0 0 0 5 3 1 0 0 0 0 6 2 2 0 0 0 0 7 2 1 0 0 0 0 8 10 2 0 0 0 0 9 14 2 0 0 0 0 10 16 1 0 0 0 0 11 3 2 0 0 0 0 12 7 2 0 0 0 0 13 6 1 0 0 0 0 14 21 1 0 0 0 0 15 12 1 0 0 0 0 16 19 1 0 0 0 0 17 8 1 0 0 0 0 18 9 1 0 0 0 0 19 15 1 0 0 0 0 20 12 1 0 0 0 0 21 16 2 0 0 0 0 6 4 1 0 0 0 0 13 20 2 0 0 0 0 9 8 1 0 0 0 0 M END > (STT-00033070) STT-00033070 > (STT-00033070) 2000 $$$$ -ISIS- 02101918162D 33 36 0 0 0 0 0 0 0 0999 V2000 -3.7333 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8958 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4458 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6125 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1958 -1.5042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 -1.9167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 -1.0375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -0.3875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1708 -1.3292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5458 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1708 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 -0.6375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 -0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5625 -0.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7833 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7458 0.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3125 -1.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3958 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9125 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 -3.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 6 1 0 0 0 0 5 8 1 0 0 0 0 6 1 1 0 0 0 0 7 5 2 0 0 0 0 8 18 1 0 0 0 0 9 7 1 0 0 0 0 10 5 1 0 0 0 0 11 16 2 0 0 0 0 12 8 2 0 0 0 0 13 10 2 0 0 0 0 14 1 1 0 0 0 0 15 2 1 0 0 0 0 16 12 1 0 0 0 0 17 4 1 0 0 0 0 18 23 1 0 0 0 0 19 14 1 0 0 0 0 20 15 2 0 0 0 0 21 17 2 0 0 0 0 22 19 2 0 0 0 0 23 19 1 0 0 0 0 24 3 1 0 0 0 0 25 15 1 0 0 0 0 26 17 1 0 0 0 0 27 10 1 0 0 0 0 28 13 1 0 0 0 0 29 16 1 0 0 0 0 30 25 1 0 0 0 0 31 26 1 0 0 0 0 32 27 1 0 0 0 0 33 32 1 0 0 0 0 3 4 2 0 0 0 0 11 7 1 0 0 0 0 9 13 1 0 0 0 0 33 28 1 0 0 0 0 M END > (STT-00033270) STT-00033270 > (STT-00033270) 1000 $$$$ -ISIS- 02101918162D 19 21 0 0 0 0 0 0 0 0999 V2000 -2.2708 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 0.7708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.7958 -0.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 0.0500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1333 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 -0.0500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3958 1.8125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 1.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4708 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2333 2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 6 2 0 0 0 0 12 10 1 0 0 0 0 13 3 2 0 0 0 0 14 10 2 0 0 0 0 15 12 1 0 0 0 0 16 4 1 0 0 0 0 17 14 1 0 0 0 0 18 16 1 0 0 0 0 19 18 2 0 0 0 0 8 9 1 0 0 0 0 5 6 1 0 0 0 0 17 15 2 0 0 0 0 M END > (STT-00033314) STT-00033314 > (STT-00033314) 1500 $$$$ -ISIS- 02101918162D 17 17 0 0 0 0 0 0 0 0999 V2000 -0.7458 1.1125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3833 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7625 -0.3542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 1.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3458 1.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -1.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9458 0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 2 0 0 0 0 5 4 1 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 1 2 0 0 0 0 10 15 1 0 0 0 0 11 5 2 0 0 0 0 12 14 2 0 0 0 0 13 10 2 0 0 0 0 14 6 1 0 0 0 0 15 8 1 0 0 0 0 16 5 1 0 0 0 0 17 10 1 0 0 0 0 4 12 1 0 0 0 0 M CHG 2 1 1 7 -1 M END > (STT-00033360) STT-00033360 > (STT-00033360) 1000 $$$$ -ISIS- 02101918162D 23 26 0 0 0 0 0 0 0 0999 V2000 6.1417 -7.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1417 -6.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -8.0417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9000 -6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -7.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -6.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -8.0375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 -6.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -5.3292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7417 -5.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -4.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -6.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2875 -8.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 -2.8167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6167 -4.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6167 -2.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -6.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -7.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -3.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 10 1 0 0 0 0 9 12 1 0 0 0 0 10 7 2 0 0 0 0 11 14 1 0 0 0 0 12 6 1 0 0 0 0 13 11 1 0 0 0 0 14 9 2 0 0 0 0 15 4 1 0 0 0 0 16 5 1 0 0 0 0 17 13 1 0 0 0 0 18 11 2 0 0 0 0 19 13 2 0 0 0 0 20 15 1 0 0 0 0 21 16 1 0 0 0 0 22 18 1 0 0 0 0 23 22 2 0 0 0 0 5 4 2 0 0 0 0 6 8 2 0 0 0 0 21 20 1 0 0 0 0 23 19 1 0 0 0 0 M END > (STT-00033381) STT-00033381 > (STT-00033381) 1100 $$$$ -ISIS- 02101918162D 21 24 0 0 0 0 0 0 0 0999 V2000 0.1542 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -2.3042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 -1.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 -0.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 0.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5125 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 3.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 10 1 0 0 0 0 9 6 1 0 0 0 0 10 7 2 0 0 0 0 11 9 1 0 0 0 0 12 4 1 0 0 0 0 13 5 1 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 16 14 2 0 0 0 0 17 12 1 0 0 0 0 18 13 1 0 0 0 0 19 15 2 0 0 0 0 20 16 1 0 0 0 0 21 20 2 0 0 0 0 5 4 2 0 0 0 0 8 6 2 0 0 0 0 18 17 1 0 0 0 0 19 21 1 0 0 0 0 M END > (STT-00033386) STT-00033386 > (STT-00033386) 1000 $$$$ -ISIS- 02101918162D 17 17 0 0 0 0 0 0 0 0999 V2000 -0.7458 1.1125 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3833 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 0.7500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7625 -0.3542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 1.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3458 1.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -1.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9458 0.6708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 2 0 0 0 0 5 4 1 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 1 2 0 0 0 0 10 15 1 0 0 0 0 11 5 2 0 0 0 0 12 14 2 0 0 0 0 13 10 2 0 0 0 0 14 6 1 0 0 0 0 15 8 1 0 0 0 0 16 5 1 0 0 0 0 17 10 1 0 0 0 0 12 4 1 0 0 0 0 M CHG 2 1 1 7 -1 M END > (STT-00033393) STT-00033393 > (STT-00033393) 1000 $$$$ -ISIS- 02101918162D 32 33 0 0 0 0 0 0 0 0999 V2000 -4.4708 -1.9500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8000 1.1708 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.1208 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4292 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4458 -1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1208 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4458 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1333 -1.9167 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.5000 0.5833 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.4667 1.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1583 -2.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -1.3292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 2.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1458 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -0.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 1.6833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4042 2.3708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.1208 -0.8167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 10 2 0 0 0 0 6 3 1 0 0 0 0 7 9 1 0 0 0 0 8 24 1 0 0 0 0 9 6 2 0 0 0 0 10 8 1 0 0 0 0 11 3 2 0 0 0 0 12 21 1 0 0 0 0 13 1 1 0 0 0 0 14 2 1 0 0 0 0 15 2 2 0 0 0 0 16 1 2 0 0 0 0 17 7 2 0 0 0 0 18 8 2 0 0 0 0 19 22 2 0 0 0 0 20 10 1 0 0 0 0 21 20 2 0 0 0 0 22 11 1 0 0 0 0 23 7 1 0 0 0 0 24 27 1 0 0 0 0 25 12 1 0 0 0 0 26 11 1 0 0 0 0 27 30 1 0 0 0 0 28 23 1 0 0 0 0 29 28 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 29 1 0 0 0 0 19 9 1 0 0 0 0 12 4 2 0 0 0 0 M CHG 4 1 1 2 1 13 -1 14 -1 M END > (STT-00033457) STT-00033457 > (STT-00033457) 1000 $$$$ -ISIS- 02101918162D 13 14 0 0 0 0 0 0 0 0999 V2000 -1.6125 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6125 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 1.1958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 -0.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 0.1333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 8 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 3 2 0 0 0 0 10 6 1 0 0 0 0 11 4 2 0 0 0 0 12 11 1 0 0 0 0 13 3 1 0 0 0 0 7 10 1 0 0 0 0 8 12 2 0 0 0 0 M END > (STT-00033458) STT-00033458 > (STT-00033458) 2000 $$$$ -ISIS- 02101918162D 24 26 0 0 0 0 0 0 0 0999 V2000 -3.6458 -0.7167 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7125 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 0.1208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 -0.1792 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1000 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 1.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9708 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -0.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -0.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 -1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6833 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 2 1 0 0 0 0 4 13 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 15 2 0 0 0 0 8 3 1 0 0 0 0 9 1 1 0 0 0 0 10 23 1 0 0 0 0 11 5 1 0 0 0 0 12 1 2 0 0 0 0 13 22 2 0 0 0 0 14 10 1 0 0 0 0 15 8 1 0 0 0 0 16 11 1 0 0 0 0 17 3 2 0 0 0 0 18 4 2 0 0 0 0 19 6 1 0 0 0 0 20 6 2 0 0 0 0 21 19 2 0 0 0 0 22 20 1 0 0 0 0 23 24 2 0 0 0 0 24 15 1 0 0 0 0 13 21 1 0 0 0 0 10 5 2 0 0 0 0 16 14 1 0 0 0 0 M CHG 2 1 1 9 -1 M END > (STT-00033521) STT-00033521 > (STT-00033521) 1000 $$$$ -ISIS- 02101918162D 32 34 0 0 0 0 0 0 0 0999 V2000 -0.3708 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1125 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -1.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 -1.2292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0792 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -0.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -2.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 11 2 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 13 9 1 0 0 0 0 14 9 2 0 0 0 0 15 3 1 0 0 0 0 16 7 2 0 0 0 0 17 8 2 0 0 0 0 18 15 1 0 0 0 0 19 15 2 0 0 0 0 20 10 1 0 0 0 0 21 8 1 0 0 0 0 22 12 1 0 0 0 0 23 11 1 0 0 0 0 24 19 1 0 0 0 0 25 18 2 0 0 0 0 26 24 2 0 0 0 0 27 21 1 0 0 0 0 28 20 1 0 0 0 0 29 26 1 0 0 0 0 30 22 1 0 0 0 0 31 23 1 0 0 0 0 32 27 1 0 0 0 0 3 6 2 0 0 0 0 12 10 1 0 0 0 0 25 26 1 0 0 0 0 M END > (STT-00033548) STT-00033548 > (STT-00033548) 1000 $$$$ -ISIS- 02101918162D 30 33 0 0 0 0 0 0 0 0999 V2000 -0.5500 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 1.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -0.2042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0125 2.6208 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0333 -1.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3958 2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 3.3833 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.7333 2.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 -0.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 0.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7125 2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3125 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4375 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -3.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -3.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2792 -2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 10 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 17 2 0 0 0 0 11 7 1 0 0 0 0 12 7 2 0 0 0 0 13 4 2 0 0 0 0 14 23 1 0 0 0 0 15 6 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 18 9 1 0 0 0 0 19 9 2 0 0 0 0 20 8 1 0 0 0 0 21 14 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 24 20 2 0 0 0 0 25 20 1 0 0 0 0 26 21 1 0 0 0 0 27 21 2 0 0 0 0 28 26 2 0 0 0 0 29 27 1 0 0 0 0 30 29 2 0 0 0 0 6 3 2 0 0 0 0 10 16 1 0 0 0 0 22 14 2 0 0 0 0 28 30 1 0 0 0 0 M CHG 2 7 1 11 -1 M END > (STT-00033607) STT-00033607 > (STT-00033607) 1000 $$$$ -ISIS- 02101918162D 16 18 0 0 0 0 0 0 0 0999 V2000 2.8792 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -0.4292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6292 -0.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 0.6583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 1.7583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -2.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 2 1 0 0 0 0 8 9 1 0 0 0 0 9 5 2 0 0 0 0 10 3 1 0 0 0 0 11 7 2 0 0 0 0 12 10 1 0 0 0 0 13 10 2 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 14 2 0 0 0 0 4 6 2 0 0 0 0 7 8 1 0 0 0 0 16 15 1 0 0 0 0 M END > (STT-00033611) STT-00033611 > (STT-00033611) 1000 $$$$ -ISIS- 02101918162D 17 18 0 0 0 0 0 0 0 0999 V2000 1.2000 -1.8667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1333 0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 -1.0667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5292 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -3.2000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -2.6542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -0.4792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 3.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -1.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 3.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1333 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1333 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 2 2 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 1 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 5 2 0 0 0 0 13 3 1 0 0 0 0 14 6 1 0 0 0 0 15 10 1 0 0 0 0 16 14 2 0 0 0 0 17 15 2 0 0 0 0 6 10 1 0 0 0 0 16 17 1 0 0 0 0 M END > (STT-00033622) STT-00033622 > (STT-00033622) 1000 $$$$ -ISIS- 02101918162D 18 20 0 0 0 0 0 0 0 0999 V2000 0.0917 -0.4292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.8625 0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0458 0.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 -1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 1.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1875 2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 3.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -2.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 -3.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9792 -0.1042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -2.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 -3.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -3.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1333 -3.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0958 -5.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1458 -5.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 1 1 0 0 0 0 6 3 2 0 0 0 0 7 4 1 0 0 0 0 8 7 3 0 0 0 0 9 5 1 0 0 0 0 10 9 2 0 0 0 0 11 2 1 0 0 0 0 12 5 2 0 0 0 0 13 14 2 0 0 0 0 14 12 1 0 0 0 0 15 10 1 0 0 0 0 16 13 1 0 0 0 0 17 15 2 0 0 0 0 18 16 2 0 0 0 0 6 4 1 0 0 0 0 10 13 1 0 0 0 0 17 18 1 0 0 0 0 M END > (STT-00033704) STT-00033704 > (STT-00033704) 3000 $$$$ -ISIS- 02101918162D 18 20 0 0 0 0 0 0 0 0999 V2000 2.4000 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4125 -3.5750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4458 -2.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4375 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -3.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3708 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3708 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5833 -3.0708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3875 -3.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 0.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7875 -4.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4250 0.6250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3333 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3333 -3.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 4 1 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 5 1 0 0 0 0 10 5 2 0 0 0 0 11 9 1 0 0 0 0 12 7 2 0 0 0 0 13 10 1 0 0 0 0 14 7 1 0 0 0 0 15 6 2 0 0 0 0 16 8 2 0 0 0 0 17 15 1 0 0 0 0 18 17 2 0 0 0 0 2 3 2 0 0 0 0 18 16 1 0 0 0 0 13 11 2 0 0 0 0 M END > (STT-00033714) STT-00033714 > (STT-00033714) 1000 $$$$ -ISIS- 02101918162D 39 40 0 0 0 0 0 0 0 0999 V2000 -0.6000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 -0.1500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 0.4833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7625 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 -3.3667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8542 -1.8500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2167 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 2.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5125 0.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7000 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5625 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 2.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 -1.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -1.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8500 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8667 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 -1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5833 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6042 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 3.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 15 2 0 0 0 0 9 4 1 0 0 0 0 10 8 1 0 0 0 0 11 18 1 0 0 0 0 12 6 1 0 0 0 0 13 8 1 0 0 0 0 14 11 1 0 0 0 0 15 24 1 0 0 0 0 16 7 2 0 0 0 0 17 9 2 0 0 0 0 18 20 2 0 0 0 0 19 12 2 0 0 0 0 20 15 1 0 0 0 0 21 3 1 0 0 0 0 22 7 1 0 0 0 0 23 9 1 0 0 0 0 24 34 1 0 0 0 0 25 13 1 0 0 0 0 26 12 1 0 0 0 0 27 14 1 0 0 0 0 28 13 1 0 0 0 0 29 13 1 0 0 0 0 30 14 1 0 0 0 0 31 14 1 0 0 0 0 32 23 1 0 0 0 0 33 22 1 0 0 0 0 34 35 1 0 0 0 0 35 26 1 0 0 0 0 36 27 1 0 0 0 0 37 25 1 0 0 0 0 38 32 1 0 0 0 0 39 33 1 0 0 0 0 4 3 2 0 0 0 0 10 11 2 0 0 0 0 M END > (STT-00033716) STT-00033716 > (STT-00033716) 3000 $$$$ -ISIS- 02101918162D 27 28 0 0 0 0 0 0 0 0999 V2000 -0.4208 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -0.6500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -0.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -1.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 0.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 1.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 -1.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 -2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1208 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 7 2 0 0 0 0 12 8 2 0 0 0 0 13 9 2 0 0 0 0 14 10 2 0 0 0 0 15 3 1 0 0 0 0 16 9 1 0 0 0 0 17 10 1 0 0 0 0 18 8 1 0 0 0 0 19 12 1 0 0 0 0 20 12 1 0 0 0 0 21 17 1 0 0 0 0 22 16 1 0 0 0 0 23 19 1 0 0 0 0 24 18 2 0 0 0 0 25 21 1 0 0 0 0 26 22 1 0 0 0 0 27 24 1 0 0 0 0 4 3 2 0 0 0 0 20 27 2 0 0 0 0 M END > (STT-00033736) STT-00033736 > (STT-00033736) 1000 $$$$ -ISIS- 02101918162D 28 30 0 0 0 0 0 0 0 0999 V2000 3.6625 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3417 -1.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 -2.0750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -2.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -2.2667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.0500 -1.1125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.1625 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -1.9542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -3.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2917 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -0.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6250 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 13 1 0 0 0 0 10 19 1 0 0 0 0 11 5 1 0 0 0 0 12 3 1 0 0 0 0 13 8 1 0 0 0 0 14 7 2 0 0 0 0 15 8 2 0 0 0 0 16 9 1 0 0 0 0 17 9 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 7 1 0 0 0 0 21 10 1 0 0 0 0 22 11 2 0 0 0 0 23 11 1 0 0 0 0 24 20 1 0 0 0 0 25 24 1 0 0 0 0 26 23 2 0 0 0 0 27 22 1 0 0 0 0 28 26 1 0 0 0 0 3 5 2 0 0 0 0 10 18 1 0 0 0 0 28 27 2 0 0 0 0 M END > (STT-00033789) STT-00033789 > (STT-00033789) 2000 > (STT-00033789) (C2H2O4)2 $$$$ -ISIS- 02101918162D 26 28 0 0 0 0 0 0 0 0999 V2000 -2.3000 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 -0.0542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 0.5333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3833 -2.6667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4833 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 2.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 -2.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 1.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 -1.9167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.1208 -2.6667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.0458 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0458 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6833 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6833 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3625 -3.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 13 1 0 0 0 0 11 7 2 0 0 0 0 12 8 2 0 0 0 0 13 16 1 0 0 0 0 14 9 2 0 0 0 0 15 9 1 0 0 0 0 16 21 1 0 0 0 0 17 8 1 0 0 0 0 18 10 1 0 0 0 0 19 10 1 0 0 0 0 20 4 1 0 0 0 0 21 15 2 0 0 0 0 22 14 1 0 0 0 0 23 6 1 0 0 0 0 24 20 1 0 0 0 0 25 23 1 0 0 0 0 26 10 1 0 0 0 0 4 6 2 0 0 0 0 24 25 1 0 0 0 0 22 16 2 0 0 0 0 M END > (STT-00033820) STT-00033820 > (STT-00033820) 2000 $$$$ -ISIS- 02101918162D 22 23 0 0 0 0 0 0 0 0999 V2000 0.9292 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 -0.5167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -0.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 0.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 3 2 0 0 0 0 7 1 1 0 0 0 0 8 6 1 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 11 7 2 0 0 0 0 12 10 1 0 0 0 0 13 9 1 0 0 0 0 14 7 1 0 0 0 0 15 18 1 0 0 0 0 16 4 1 0 0 0 0 17 5 1 0 0 0 0 18 13 2 0 0 0 0 19 10 1 0 0 0 0 20 14 1 0 0 0 0 21 15 1 0 0 0 0 22 20 1 0 0 0 0 2 3 1 0 0 0 0 12 15 2 0 0 0 0 M END > (STT-00033851) STT-00033851 > (STT-00033851) 1000 $$$$ -ISIS- 02101918162D 11 12 0 0 0 0 0 0 0 0999 V2000 -0.2125 -0.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 0.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -0.3000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0792 0.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -1.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 2 0 0 0 0 7 3 2 0 0 0 0 8 5 1 0 0 0 0 9 5 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 4 5 1 0 0 0 0 10 11 1 0 0 0 0 M END > (STT-00033858) STT-00033858 > (STT-00033858) 1000 $$$$ -ISIS- 02101918162D 27 30 0 0 0 0 0 0 0 0999 V2000 -0.0125 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 1.3000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0667 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 1.3458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.9708 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5458 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 -0.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7458 -0.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 1.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 -0.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9333 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 0.5125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5125 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 4 1 0 0 0 0 6 21 1 0 0 0 0 7 13 2 0 0 0 0 8 19 2 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 1 2 0 0 0 0 12 9 1 0 0 0 0 13 17 1 0 0 0 0 14 3 1 0 0 0 0 15 3 1 0 0 0 0 16 5 2 0 0 0 0 17 18 1 0 0 0 0 18 6 1 0 0 0 0 19 23 1 0 0 0 0 20 14 1 0 0 0 0 21 15 1 0 0 0 0 22 5 1 0 0 0 0 23 17 2 0 0 0 0 24 2 1 0 0 0 0 25 4 1 0 0 0 0 26 24 2 0 0 0 0 27 26 1 0 0 0 0 20 6 1 0 0 0 0 27 25 2 0 0 0 0 7 8 1 0 0 0 0 10 12 1 0 0 0 0 M END > (STT-00033869) STT-00033869 > (STT-00033869) 1000 $$$$ -ISIS- 02101918162D 27 31 0 0 0 0 0 0 0 0999 V2000 0.7667 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 -0.5167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -0.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 1.1708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8042 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3458 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 5 2 0 0 0 0 9 7 1 0 0 0 0 10 3 1 0 0 0 0 11 13 2 0 0 0 0 12 11 1 0 0 0 0 13 17 1 0 0 0 0 14 16 2 0 0 0 0 15 10 1 0 0 0 0 16 15 1 0 0 0 0 17 15 2 0 0 0 0 18 5 1 0 0 0 0 19 8 1 0 0 0 0 20 9 1 0 0 0 0 21 12 1 0 0 0 0 22 12 2 0 0 0 0 23 18 1 0 0 0 0 24 23 1 0 0 0 0 25 22 1 0 0 0 0 26 21 2 0 0 0 0 27 25 2 0 0 0 0 8 4 1 0 0 0 0 6 9 2 0 0 0 0 19 24 1 0 0 0 0 14 11 1 0 0 0 0 26 27 1 0 0 0 0 M END > (STT-00033878) STT-00033878 > (STT-00033878) 1000 $$$$ -ISIS- 02101918162D 24 26 0 0 0 0 0 0 0 0999 V2000 1.1042 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 0.3458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -0.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2833 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6708 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5500 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4708 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9125 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 2.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 10 1 0 0 0 0 6 2 2 0 0 0 0 7 3 2 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 14 2 0 0 0 0 11 13 1 0 0 0 0 12 4 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 15 8 1 0 0 0 0 16 8 2 0 0 0 0 17 9 2 0 0 0 0 18 9 1 0 0 0 0 19 16 1 0 0 0 0 20 15 2 0 0 0 0 21 18 2 0 0 0 0 22 17 1 0 0 0 0 23 21 1 0 0 0 0 24 19 2 0 0 0 0 24 20 1 0 0 0 0 5 11 2 0 0 0 0 23 22 2 0 0 0 0 M END > (STT-00033899) STT-00033899 > (STT-00033899) 1000 $$$$ -ISIS- 02101918162D 22 25 0 0 0 0 0 0 0 0999 V2000 -1.3208 -1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -2.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 -1.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -0.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 -2.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6833 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4625 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 4 1 0 0 0 0 8 9 2 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 5 1 0 0 0 0 12 3 1 0 0 0 0 13 6 1 0 0 0 0 14 15 2 0 0 0 0 15 9 1 0 0 0 0 16 8 1 0 0 0 0 17 14 1 0 0 0 0 18 10 1 0 0 0 0 19 11 2 0 0 0 0 20 19 1 0 0 0 0 21 16 2 0 0 0 0 22 21 1 0 0 0 0 6 2 1 0 0 0 0 13 20 2 0 0 0 0 17 10 2 0 0 0 0 22 18 2 0 0 0 0 M END > (STT-00033900) STT-00033900 > (STT-00033900) 1000 $$$$ -ISIS- 02101918162D 30 34 0 0 0 0 0 0 0 0999 V2000 -1.3125 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -1.5792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.5458 -1.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 -0.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 -1.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 0.3208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -2.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 2.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 2.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 2.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 -2.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -3.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 -3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 9 2 0 0 0 0 8 2 2 0 0 0 0 9 16 1 0 0 0 0 10 6 1 0 0 0 0 11 3 1 0 0 0 0 12 17 2 0 0 0 0 13 5 1 0 0 0 0 14 7 1 0 0 0 0 15 12 1 0 0 0 0 16 10 1 0 0 0 0 17 18 1 0 0 0 0 18 16 2 0 0 0 0 19 14 1 0 0 0 0 20 15 1 0 0 0 0 21 11 2 0 0 0 0 22 11 1 0 0 0 0 23 13 1 0 0 0 0 24 13 2 0 0 0 0 25 22 2 0 0 0 0 26 23 2 0 0 0 0 27 24 1 0 0 0 0 28 21 1 0 0 0 0 29 25 1 0 0 0 0 30 27 2 0 0 0 0 4 3 1 0 0 0 0 26 30 1 0 0 0 0 7 12 1 0 0 0 0 29 28 2 0 0 0 0 19 20 1 0 0 0 0 M END > (STT-00033920) STT-00033920 > (STT-00033920) 960 $$$$ -ISIS- 02101918162D 23 26 0 0 0 0 0 0 0 0999 V2000 1.9292 2.1458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.3042 2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 2.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 3.2083 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 1.8208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 0.9625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -0.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 0.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -0.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 3.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 1 1 0 0 0 0 8 7 2 0 0 0 0 9 3 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 12 11 1 0 0 0 0 13 10 1 0 0 0 0 14 11 2 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 17 10 2 0 0 0 0 18 9 1 0 0 0 0 19 13 1 0 0 0 0 20 7 1 0 0 0 0 21 8 1 0 0 0 0 22 20 2 0 0 0 0 23 22 1 0 0 0 0 5 8 1 0 0 0 0 4 6 1 0 0 0 0 21 23 2 0 0 0 0 16 15 2 0 0 0 0 M END > (STT-00033936) STT-00033936 > (STT-00033936) 1000 $$$$ -ISIS- 02101918162D 17 17 0 0 0 0 0 0 0 0999 V2000 -0.9625 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 0.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2458 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 1.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -0.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -0.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2458 2.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 1.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 3.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3833 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 4 1 0 0 0 0 6 12 1 0 0 0 0 7 11 1 0 0 0 0 8 1 2 0 0 0 0 9 2 1 0 0 0 0 10 6 2 0 0 0 0 11 9 2 0 0 0 0 12 3 1 0 0 0 0 13 6 1 0 0 0 0 14 5 1 0 0 0 0 15 7 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 5 7 2 0 0 0 0 M END > (STT-00033960) STT-00033960 > (STT-00033960) 3000 $$$$ -ISIS- 02101918162D 19 19 0 0 0 0 0 0 0 0999 V2000 -2.6333 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 -1.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 1.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0792 -0.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 -1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 -2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0833 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 5 1 0 0 0 0 7 4 2 0 0 0 0 8 3 1 0 0 0 0 9 12 1 0 0 0 0 10 3 2 0 0 0 0 11 9 2 0 0 0 0 12 8 1 0 0 0 0 13 1 1 0 0 0 0 14 4 1 0 0 0 0 15 5 1 0 0 0 0 16 9 1 0 0 0 0 17 13 1 0 0 0 0 18 15 1 0 0 0 0 19 14 1 0 0 0 0 7 2 1 0 0 0 0 M END > (STT-00033970) STT-00033970 > (STT-00033970) 1000 $$$$ -ISIS- 02101918162D 13 14 0 0 0 0 0 0 0 0999 V2000 4.0292 -3.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -4.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3542 -3.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -4.9500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7167 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4500 -4.8667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -4.9500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -3.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9875 -4.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -3.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 9 2 2 0 0 0 0 10 4 2 0 0 0 0 11 8 1 0 0 0 0 12 7 2 0 0 0 0 13 12 1 0 0 0 0 3 5 1 0 0 0 0 13 11 2 0 0 0 0 M END > (STT-00033973) STT-00033973 > (STT-00033973) 1000 $$$$ -ISIS- 02101918162D 13 14 0 0 0 0 0 0 0 0999 V2000 -1.3833 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 0.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 0.3458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 1.1833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.3458 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 2.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 1.5458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9833 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 6 2 0 0 0 0 9 7 1 0 0 0 0 10 3 2 0 0 0 0 11 7 1 0 0 0 0 12 6 1 0 0 0 0 13 8 1 0 0 0 0 5 8 1 0 0 0 0 9 4 2 0 0 0 0 M END > (STT-00033974) STT-00033974 > (STT-00033974) 1000 $$$$ -ISIS- 02101918162D 24 25 0 0 0 0 0 0 0 0999 V2000 1.7500 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -0.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3958 1.1125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1000 -0.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 0.2958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 1.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0125 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9958 0.5458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.9708 1.6833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 1.6833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 2.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7792 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 -0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 2.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 3.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 9 1 0 0 0 0 7 3 2 0 0 0 0 8 1 1 0 0 0 0 9 12 1 0 0 0 0 10 7 1 0 0 0 0 11 8 2 0 0 0 0 12 16 2 0 0 0 0 13 6 1 0 0 0 0 14 6 1 0 0 0 0 15 6 1 0 0 0 0 16 10 1 0 0 0 0 17 8 1 0 0 0 0 18 4 1 0 0 0 0 19 5 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 16 1 0 0 0 0 23 17 1 0 0 0 0 24 23 1 0 0 0 0 2 3 1 0 0 0 0 20 9 2 0 0 0 0 M END > (STT-00033985) STT-00033985 > (STT-00033985) 1000 $$$$ -ISIS- 02101918162D 22 24 0 0 0 0 0 0 0 0999 V2000 0.2000 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -0.1292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 0.1625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 1.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 2.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3458 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -2.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 3.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 8 2 0 0 0 0 12 8 1 0 0 0 0 13 4 1 0 0 0 0 14 6 1 0 0 0 0 15 14 1 0 0 0 0 16 10 1 0 0 0 0 17 10 2 0 0 0 0 18 12 1 0 0 0 0 19 18 1 0 0 0 0 20 16 2 0 0 0 0 21 17 1 0 0 0 0 22 21 2 0 0 0 0 6 4 2 0 0 0 0 15 13 1 0 0 0 0 22 20 1 0 0 0 0 M END > (STT-00033991) STT-00033991 > (STT-00033991) 1000 $$$$ -ISIS- 02101918162D 17 19 0 0 0 0 0 0 0 0999 V2000 0.4292 1.2333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.2208 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 1.8125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 1.0958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 2.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 3.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 2 0 0 0 0 6 2 1 0 0 0 0 7 4 1 0 0 0 0 8 9 1 0 0 0 0 9 6 2 0 0 0 0 10 1 1 0 0 0 0 11 7 1 0 0 0 0 12 10 2 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 13 2 0 0 0 0 16 12 1 0 0 0 0 17 15 1 0 0 0 0 5 4 1 0 0 0 0 16 17 2 0 0 0 0 7 8 2 0 0 0 0 M END > (STT-00034028) STT-00034028 > (STT-00034028) 2000 $$$$ -ISIS- 02101918162D 18 19 0 0 0 0 0 0 0 0999 V2000 -2.1625 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5833 2.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 1.0958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 2.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 3.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 1.8333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 3.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6458 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6458 3.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0625 2.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 2 2 0 0 0 0 6 3 2 0 0 0 0 7 10 2 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 9 1 0 0 0 0 11 15 2 0 0 0 0 12 8 1 0 0 0 0 13 8 2 0 0 0 0 14 9 2 0 0 0 0 15 14 1 0 0 0 0 16 12 2 0 0 0 0 17 13 1 0 0 0 0 18 17 2 0 0 0 0 18 16 1 0 0 0 0 11 7 1 0 0 0 0 M END > (STT-00034029) STT-00034029 > (STT-00034029) 1000 $$$$ -ISIS- 02101918162D 19 19 0 0 0 0 0 0 0 0999 V2000 2.5667 0.2208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9917 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9917 -2.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 -3.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 1.0583 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 0.2208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 0.2208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2875 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -3.0917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.8542 -1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 3 1 0 0 0 0 6 5 2 0 0 0 0 7 2 2 0 0 0 0 8 1 1 0 0 0 0 9 1 1 0 0 0 0 10 1 1 0 0 0 0 11 2 1 0 0 0 0 12 11 1 0 0 0 0 13 3 2 0 0 0 0 14 13 1 0 0 0 0 15 14 2 0 0 0 0 16 12 1 0 0 0 0 17 12 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 6 15 1 0 0 0 0 M END > (STT-00034032) STT-00034032 > (STT-00034032) 1000 > (STT-00034032) C2H2O4 $$$$ -ISIS- 02101918162D 24 25 0 0 0 0 0 0 0 0999 V2000 5.9250 -0.4250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9250 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -3.8167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.4000 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4000 -2.9500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1375 -4.2417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7750 -0.4250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0917 -0.4250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 0.4208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -2.9583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -3.8167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 -3.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6542 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2125 -1.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2125 -2.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -2.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -4.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 5 7 1 0 0 0 0 6 2 1 0 0 0 0 7 6 2 0 0 0 0 8 4 2 0 0 0 0 9 1 1 0 0 0 0 10 1 1 0 0 0 0 11 1 1 0 0 0 0 12 23 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 15 22 1 0 0 0 0 16 4 1 0 0 0 0 17 3 1 0 0 0 0 18 3 1 0 0 0 0 19 2 2 0 0 0 0 20 19 1 0 0 0 0 21 20 2 0 0 0 0 22 13 1 0 0 0 0 23 18 1 0 0 0 0 24 17 1 0 0 0 0 7 21 1 0 0 0 0 24 12 1 0 0 0 0 M END > (STT-00034035) STT-00034035 > (STT-00034035) 1000 > (STT-00034035) (C2H2O4)2 $$$$ -ISIS- 02101918162D 22 23 0 0 0 0 0 0 0 0999 V2000 -3.2000 0.3333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9500 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 1.9125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 0.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -0.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 -0.1500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.6833 -0.4542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 0.7958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.1833 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 6 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 5 2 0 0 0 0 8 7 1 0 0 0 0 9 3 2 0 0 0 0 10 4 2 0 0 0 0 11 4 1 0 0 0 0 12 1 1 0 0 0 0 13 1 1 0 0 0 0 14 1 1 0 0 0 0 15 5 1 0 0 0 0 16 15 2 0 0 0 0 17 16 1 0 0 0 0 18 11 1 0 0 0 0 19 11 2 0 0 0 0 20 18 2 0 0 0 0 21 19 1 0 0 0 0 22 21 2 0 0 0 0 17 8 2 0 0 0 0 20 22 1 0 0 0 0 M END > (STT-00034036) STT-00034036 > (STT-00034036) 3000 $$$$ -ISIS- 02101918162D 25 27 0 0 0 0 0 0 0 0999 V2000 -1.5458 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 1.5208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1125 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 0.3208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2833 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1208 0.1000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7458 0.1833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5208 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9000 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 0.5208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7083 -0.3292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.5500 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.7333 -0.4500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.5500 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9208 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 3.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3458 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3458 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 9 1 0 0 0 0 8 4 1 0 0 0 0 9 13 1 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 8 1 0 0 0 0 13 12 2 0 0 0 0 14 6 1 0 0 0 0 15 7 1 0 0 0 0 16 7 1 0 0 0 0 17 7 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 12 1 0 0 0 0 21 10 2 0 0 0 0 22 10 1 0 0 0 0 23 22 2 0 0 0 0 24 21 1 0 0 0 0 25 23 1 0 0 0 0 3 6 2 0 0 0 0 25 24 2 0 0 0 0 18 9 2 0 0 0 0 M END > (STT-00034040) STT-00034040 > (STT-00034040) 2000 $$$$ -ISIS- 02101918162D 34 37 0 0 0 0 0 0 0 0999 V2000 -1.7333 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 2.3208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 1.2833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3958 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5333 0.3208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8500 2.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3708 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 1.5208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 2.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5333 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 0.1625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.6958 -0.3500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.2208 0.4833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 3.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8500 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6708 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0208 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 3.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 3.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 3.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3333 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 3.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 9 1 0 0 0 0 8 6 1 0 0 0 0 9 14 1 0 0 0 0 10 3 1 0 0 0 0 11 2 1 0 0 0 0 12 6 2 0 0 0 0 13 8 1 0 0 0 0 14 13 2 0 0 0 0 15 7 1 0 0 0 0 16 7 1 0 0 0 0 17 7 1 0 0 0 0 18 10 1 0 0 0 0 19 23 1 0 0 0 0 20 18 2 0 0 0 0 21 18 1 0 0 0 0 22 20 1 0 0 0 0 23 21 2 0 0 0 0 24 19 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 13 1 0 0 0 0 28 11 2 0 0 0 0 29 11 1 0 0 0 0 30 24 1 0 0 0 0 31 30 1 0 0 0 0 32 28 1 0 0 0 0 33 29 2 0 0 0 0 34 33 1 0 0 0 0 3 4 2 0 0 0 0 32 34 2 0 0 0 0 9 25 2 0 0 0 0 19 22 2 0 0 0 0 M END > (STT-00034048) STT-00034048 > (STT-00034048) 1000 $$$$ -ISIS- 02101918162D 26 28 0 0 0 0 0 0 0 0999 V2000 2.0167 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -0.2042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 0.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8500 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0500 -0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 2.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 2.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -3.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 -3.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -1.6292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -3.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 11 2 0 0 0 0 11 14 1 0 0 0 0 12 13 2 0 0 0 0 13 9 1 0 0 0 0 14 9 2 0 0 0 0 15 7 2 0 0 0 0 16 8 2 0 0 0 0 17 8 1 0 0 0 0 18 10 1 0 0 0 0 19 12 1 0 0 0 0 20 11 1 0 0 0 0 21 4 1 0 0 0 0 22 6 1 0 0 0 0 23 22 1 0 0 0 0 24 18 1 0 0 0 0 25 19 1 0 0 0 0 26 20 1 0 0 0 0 4 6 2 0 0 0 0 21 23 1 0 0 0 0 10 12 1 0 0 0 0 M END > (STT-00034050) STT-00034050 > (STT-00034050) 1000 $$$$ -ISIS- 02101918162D 25 29 0 0 0 0 0 0 0 0999 V2000 -2.0833 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3333 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -0.8042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7458 -0.0667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 0.1208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -1.0042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7000 -1.4000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6042 0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7125 -1.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 1.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 2.4583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6833 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1333 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4583 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6833 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 8 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 6 1 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 3 1 0 0 0 0 12 3 1 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 15 10 1 0 0 0 0 16 8 2 0 0 0 0 17 9 2 0 0 0 0 18 13 1 0 0 0 0 19 14 1 0 0 0 0 20 13 1 0 0 0 0 21 9 1 0 0 0 0 22 5 1 0 0 0 0 23 7 1 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 7 5 2 0 0 0 0 25 24 1 0 0 0 0 20 14 1 0 0 0 0 18 15 1 0 0 0 0 15 19 1 0 0 0 0 M END > (STT-00034051) STT-00034051 > (STT-00034051) 1000 $$$$ -ISIS- 02101918162D 31 34 0 0 0 0 0 0 0 0999 V2000 -1.7333 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 2.3208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 1.2833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3958 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5333 0.3208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8500 2.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3708 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 1.5208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 2.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 0.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5333 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7125 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 0.1625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.6958 -0.3500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.2208 0.4833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8500 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6708 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0208 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 3.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3333 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 3.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 9 1 0 0 0 0 8 6 1 0 0 0 0 9 14 1 0 0 0 0 10 3 1 0 0 0 0 11 2 1 0 0 0 0 12 6 2 0 0 0 0 13 8 1 0 0 0 0 14 13 2 0 0 0 0 15 7 1 0 0 0 0 16 7 1 0 0 0 0 17 7 1 0 0 0 0 18 10 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 13 1 0 0 0 0 22 11 2 0 0 0 0 23 11 1 0 0 0 0 24 18 1 0 0 0 0 25 18 2 0 0 0 0 26 22 1 0 0 0 0 27 23 2 0 0 0 0 28 24 2 0 0 0 0 29 25 1 0 0 0 0 30 29 2 0 0 0 0 31 27 1 0 0 0 0 4 3 2 0 0 0 0 31 26 2 0 0 0 0 19 9 2 0 0 0 0 28 30 1 0 0 0 0 M END > (STT-00034053) STT-00034053 > (STT-00034053) 1200 $$$$ -ISIS- 02101918162D 29 31 0 0 0 0 0 0 0 0999 V2000 -0.7333 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 0.2000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 0.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5708 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 1.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 0.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 -0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 1.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7833 -0.2042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6667 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4625 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 3.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 11 1 0 0 0 0 11 9 1 0 0 0 0 12 10 2 0 0 0 0 13 7 2 0 0 0 0 14 8 2 0 0 0 0 15 9 2 0 0 0 0 16 12 1 0 0 0 0 17 3 1 0 0 0 0 18 7 1 0 0 0 0 19 8 1 0 0 0 0 20 10 1 0 0 0 0 21 20 2 0 0 0 0 22 12 1 0 0 0 0 23 21 1 0 0 0 0 24 16 1 0 0 0 0 25 18 1 0 0 0 0 26 19 1 0 0 0 0 27 25 1 0 0 0 0 28 22 2 0 0 0 0 29 28 1 0 0 0 0 4 3 2 0 0 0 0 16 23 2 0 0 0 0 24 29 2 0 0 0 0 M END > (STT-00034058) STT-00034058 > (STT-00034058) 1000 $$$$ -ISIS- 02101918162D 37 39 0 0 0 0 0 0 0 0999 V2000 -0.0333 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 0.8458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -0.2667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 1.6000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8500 -3.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7500 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 0.6625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 -0.5500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9125 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -1.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 2.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 0.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 -3.2000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -2.8000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -3.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 2.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 1.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1125 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1125 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3125 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 11 7 1 0 0 0 0 12 7 1 0 0 0 0 13 5 1 0 0 0 0 14 18 2 0 0 0 0 15 2 1 0 0 0 0 16 5 2 0 0 0 0 17 13 1 0 0 0 0 18 17 1 0 0 0 0 19 11 2 0 0 0 0 20 12 2 0 0 0 0 21 8 1 0 0 0 0 22 8 1 0 0 0 0 23 8 1 0 0 0 0 24 11 1 0 0 0 0 25 12 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 17 2 0 0 0 0 29 15 1 0 0 0 0 30 15 2 0 0 0 0 31 25 1 0 0 0 0 32 24 1 0 0 0 0 33 32 1 0 0 0 0 34 31 1 0 0 0 0 35 30 1 0 0 0 0 36 29 2 0 0 0 0 37 35 2 0 0 0 0 3 4 2 0 0 0 0 36 37 1 0 0 0 0 14 26 1 0 0 0 0 M END > (STT-00034067) STT-00034067 > (STT-00034067) 3000 $$$$ -ISIS- 02101918162D 21 22 0 0 0 0 0 0 0 0999 V2000 -0.6500 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1125 0.2125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 1.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 0.0958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 1.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5333 2.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 3.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 2.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 3.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 8 2 0 0 0 0 10 14 2 0 0 0 0 11 7 2 0 0 0 0 12 6 2 0 0 0 0 13 3 1 0 0 0 0 14 11 1 0 0 0 0 15 6 1 0 0 0 0 16 9 1 0 0 0 0 17 10 1 0 0 0 0 18 15 1 0 0 0 0 19 16 1 0 0 0 0 20 17 1 0 0 0 0 21 18 1 0 0 0 0 4 5 1 0 0 0 0 10 9 1 0 0 0 0 M END > (STT-00034068) STT-00034068 > (STT-00034068) 2000 $$$$ -ISIS- 02101918162D 20 20 0 0 0 0 0 0 0 0999 V2000 0.1292 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -0.3542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -0.1792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -0.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 -0.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -1.0167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 9 2 0 0 0 0 13 3 1 0 0 0 0 14 7 1 0 0 0 0 15 8 1 0 0 0 0 16 17 1 0 0 0 0 17 9 1 0 0 0 0 18 14 1 0 0 0 0 19 15 1 0 0 0 0 20 18 1 0 0 0 0 3 4 2 0 0 0 0 M END > (STT-00034072) STT-00034072 > (STT-00034072) 1000 $$$$ -ISIS- 02101918162D 21 23 0 0 0 0 0 0 0 0999 V2000 -0.6833 0.0500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.0833 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 1.3708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 0.4708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 0.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5833 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1833 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8458 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1458 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6458 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9458 2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0208 1.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 2 0 0 0 0 8 1 1 0 0 0 0 9 3 2 0 0 0 0 10 17 2 0 0 0 0 11 6 1 0 0 0 0 12 16 2 0 0 0 0 13 11 1 0 0 0 0 14 11 2 0 0 0 0 15 13 2 0 0 0 0 16 14 1 0 0 0 0 17 8 1 0 0 0 0 18 12 1 0 0 0 0 19 21 2 0 0 0 0 20 8 2 0 0 0 0 21 20 1 0 0 0 0 4 5 1 0 0 0 0 10 19 1 0 0 0 0 12 15 1 0 0 0 0 M END > (STT-00034076) STT-00034076 > (STT-00034076) 1000 $$$$ -ISIS- 02101918162D 22 24 0 0 0 0 0 0 0 0999 V2000 -0.4458 0.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1500 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 1.4958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 0.6125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 0.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -1.6792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7458 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 2.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2208 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5208 1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0208 1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 2 2 0 0 0 0 8 1 1 0 0 0 0 9 3 2 0 0 0 0 10 17 2 0 0 0 0 11 6 1 0 0 0 0 12 15 1 0 0 0 0 13 11 2 0 0 0 0 14 11 1 0 0 0 0 15 14 2 0 0 0 0 16 13 1 0 0 0 0 17 8 1 0 0 0 0 18 12 1 0 0 0 0 19 22 2 0 0 0 0 20 8 2 0 0 0 0 21 18 1 0 0 0 0 22 20 1 0 0 0 0 4 5 1 0 0 0 0 10 19 1 0 0 0 0 12 16 2 0 0 0 0 M END > (STT-00034080) STT-00034080 > (STT-00034080) 1300 $$$$ -ISIS- 02101918162D 24 27 0 0 0 0 0 0 0 0999 V2000 -0.3833 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -2.2542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -2.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -1.8500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -0.9792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 -0.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 -0.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 0.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 2 1 0 0 0 0 8 3 2 0 0 0 0 9 3 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 12 8 1 0 0 0 0 13 11 2 0 0 0 0 14 10 2 0 0 0 0 15 17 2 0 0 0 0 16 18 2 0 0 0 0 17 16 1 0 0 0 0 18 14 1 0 0 0 0 19 5 1 0 0 0 0 20 11 1 0 0 0 0 21 6 1 0 0 0 0 22 20 1 0 0 0 0 23 19 1 0 0 0 0 24 23 1 0 0 0 0 6 4 1 0 0 0 0 7 12 2 0 0 0 0 21 24 1 0 0 0 0 13 16 1 0 0 0 0 M END > (STT-00034082) STT-00034082 > (STT-00034082) 1500 $$$$ -ISIS- 02101918162D 26 28 0 0 0 0 0 0 0 0999 V2000 0.7500 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 1.6833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.9500 0.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 2.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 -0.3000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 2.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 2.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 3.1208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.1500 0.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 1.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 3.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 3.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 3.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2125 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9958 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 6 2 0 0 0 0 11 6 1 0 0 0 0 12 8 2 0 0 0 0 13 11 1 0 0 0 0 14 3 2 0 0 0 0 15 13 2 0 0 0 0 16 18 2 0 0 0 0 17 11 2 0 0 0 0 18 17 1 0 0 0 0 19 12 1 0 0 0 0 20 7 1 0 0 0 0 21 15 1 0 0 0 0 22 16 1 0 0 0 0 23 19 1 0 0 0 0 24 19 1 0 0 0 0 25 21 1 0 0 0 0 26 22 1 0 0 0 0 10 9 1 0 0 0 0 5 7 2 0 0 0 0 15 16 1 0 0 0 0 M END > (STT-00034086) STT-00034086 > (STT-00034086) 1150 $$$$ -ISIS- 02101918162D 22 24 0 0 0 0 0 0 0 0999 V2000 -0.4333 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 1.3833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 0.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 3.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 0.8625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 2.7458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7125 2.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 15 2 0 0 0 0 13 8 1 0 0 0 0 14 4 1 0 0 0 0 15 9 1 0 0 0 0 16 6 1 0 0 0 0 17 9 2 0 0 0 0 18 16 1 0 0 0 0 19 21 2 0 0 0 0 20 13 1 0 0 0 0 21 17 1 0 0 0 0 22 20 1 0 0 0 0 4 6 2 0 0 0 0 14 18 1 0 0 0 0 12 19 1 0 0 0 0 M END > (STT-00034089) STT-00034089 > (STT-00034089) 1460 $$$$ -ISIS- 02101918162D 21 22 0 0 0 0 0 0 0 0999 V2000 -0.5500 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 1.2625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 1.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 0.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 3.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 0.9833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 2.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 3.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 3.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 12 14 2 0 0 0 0 13 8 1 0 0 0 0 14 9 1 0 0 0 0 15 4 1 0 0 0 0 16 6 1 0 0 0 0 17 9 2 0 0 0 0 18 20 2 0 0 0 0 19 13 1 0 0 0 0 20 17 1 0 0 0 0 21 19 1 0 0 0 0 6 4 2 0 0 0 0 18 12 1 0 0 0 0 M END > (STT-00034091) STT-00034091 > (STT-00034091) 2000 $$$$ -ISIS- 02101918162D 27 30 0 0 0 0 0 0 0 0999 V2000 0.7000 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 1.9583 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.1042 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 0.5708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -0.0042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 1.2958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4125 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 2.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 2.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7125 2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 1.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 3.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3125 2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 3.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 4.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 3.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 4.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 4 2 0 0 0 0 12 10 1 0 0 0 0 13 2 1 0 0 0 0 14 5 2 0 0 0 0 15 12 2 0 0 0 0 16 18 2 0 0 0 0 17 10 2 0 0 0 0 18 17 1 0 0 0 0 19 15 1 0 0 0 0 20 16 1 0 0 0 0 21 13 2 0 0 0 0 22 13 1 0 0 0 0 23 19 1 0 0 0 0 24 20 1 0 0 0 0 25 22 2 0 0 0 0 26 21 1 0 0 0 0 27 25 1 0 0 0 0 9 8 1 0 0 0 0 6 4 1 0 0 0 0 15 16 1 0 0 0 0 27 26 2 0 0 0 0 M END > (STT-00034094) STT-00034094 > (STT-00034094) 1600 $$$$ -ISIS- 02101918162D 24 26 0 0 0 0 0 0 0 0999 V2000 0.3667 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 2.2833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.5667 0.8833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 0.2833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 1.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 1.5458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 2.9833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 3.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 3.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 3.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 3.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0333 2.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5125 3.7708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5333 2.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2958 3.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 1 1 0 0 0 0 8 2 1 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 6 2 0 0 0 0 12 10 1 0 0 0 0 13 3 2 0 0 0 0 14 12 2 0 0 0 0 15 18 2 0 0 0 0 16 10 2 0 0 0 0 17 4 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 19 2 0 0 0 0 21 14 1 0 0 0 0 22 15 1 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 9 8 1 0 0 0 0 5 6 1 0 0 0 0 14 15 1 0 0 0 0 M END > (STT-00034095) STT-00034095 > (STT-00034095) 1000 $$$$ -ISIS- 02101918162D 20 20 0 0 0 0 0 0 0 0999 V2000 0.4500 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 1.4708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 -1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -0.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 1.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 1.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 2.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5667 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 5 3 0 0 0 0 7 4 2 0 0 0 0 8 7 1 0 0 0 0 9 12 1 0 0 0 0 10 4 1 0 0 0 0 11 3 2 0 0 0 0 12 10 2 0 0 0 0 13 3 1 0 0 0 0 14 8 1 0 0 0 0 15 2 1 0 0 0 0 16 9 1 0 0 0 0 17 13 1 0 0 0 0 18 14 1 0 0 0 0 19 16 1 0 0 0 0 20 17 1 0 0 0 0 8 9 2 0 0 0 0 M END > (STT-00034102) STT-00034102 > (STT-00034102) 1000 $$$$ -ISIS- 02101918162D 19 20 0 0 0 0 0 0 0 0999 V2000 0.4667 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 0.8458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 0.9625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 2.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 2.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -0.5042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 7 2 0 0 0 0 10 8 1 0 0 0 0 11 8 2 0 0 0 0 12 7 1 0 0 0 0 13 4 1 0 0 0 0 14 5 1 0 0 0 0 15 16 1 0 0 0 0 16 10 1 0 0 0 0 17 14 1 0 0 0 0 18 12 1 0 0 0 0 19 18 1 0 0 0 0 5 4 2 0 0 0 0 13 17 1 0 0 0 0 M END > (STT-00034103) STT-00034103 > (STT-00034103) 1000 $$$$ -ISIS- 02101918162D 21 23 0 0 0 0 0 0 0 0999 V2000 -0.7458 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -0.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 -1.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 -2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 3 2 0 0 0 0 7 1 2 0 0 0 0 8 5 2 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 11 3 1 0 0 0 0 12 2 2 0 0 0 0 13 4 2 0 0 0 0 14 6 1 0 0 0 0 15 11 2 0 0 0 0 16 15 1 0 0 0 0 17 9 1 0 0 0 0 18 12 1 0 0 0 0 19 18 2 0 0 0 0 20 14 2 0 0 0 0 21 20 1 0 0 0 0 9 16 2 0 0 0 0 13 19 1 0 0 0 0 21 17 2 0 0 0 0 M END > (STT-00034113) STT-00034113 > (STT-00034113) 1000 $$$$ -ISIS- 02101918162D 19 22 0 0 0 0 0 0 0 0999 V2000 0.9167 1.0708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8792 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -0.8375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 -0.7667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1667 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5333 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 3.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 -2.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0208 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0208 -3.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6167 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4000 2.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 4 2 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 3 2 0 0 0 0 12 10 1 0 0 0 0 13 10 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 7 2 0 0 0 0 17 9 2 0 0 0 0 18 16 1 0 0 0 0 19 18 2 0 0 0 0 9 5 1 0 0 0 0 4 6 1 0 0 0 0 17 19 1 0 0 0 0 15 14 2 0 0 0 0 M END > (STT-00034141) STT-00034141 > (STT-00034141) 1000 $$$$ -ISIS- 02101918162D 24 27 0 0 0 0 0 0 0 0999 V2000 -0.7625 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 1.1208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.7625 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 0.4208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.5208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4625 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 0.4208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 1.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 1.5625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 1.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 2.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 2.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 7 2 0 0 0 0 10 7 1 0 0 0 0 11 4 2 0 0 0 0 12 2 1 0 0 0 0 13 5 2 0 0 0 0 14 10 1 0 0 0 0 15 14 1 0 0 0 0 16 10 2 0 0 0 0 17 12 2 0 0 0 0 18 12 1 0 0 0 0 19 14 2 0 0 0 0 20 16 1 0 0 0 0 21 17 1 0 0 0 0 22 20 2 0 0 0 0 23 18 2 0 0 0 0 24 23 1 0 0 0 0 8 9 1 0 0 0 0 6 4 1 0 0 0 0 19 22 1 0 0 0 0 21 24 2 0 0 0 0 M END > (STT-00034146) STT-00034146 > (STT-00034146) 2000 $$$$ -ISIS- 02101918162D 32 35 0 0 0 0 0 0 0 0999 V2000 -0.3500 -0.5667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.3333 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 -0.8042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 -0.8375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1333 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 -1.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 0.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 -0.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6333 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 0.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9333 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8458 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7458 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 10 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 4 1 0 0 0 0 10 13 1 0 0 0 0 11 7 1 0 0 0 0 12 2 1 0 0 0 0 13 14 1 0 0 0 0 14 1 1 0 0 0 0 15 6 1 0 0 0 0 16 5 2 0 0 0 0 17 4 2 0 0 0 0 18 12 2 0 0 0 0 19 13 2 0 0 0 0 20 15 1 0 0 0 0 21 15 2 0 0 0 0 22 12 1 0 0 0 0 23 21 1 0 0 0 0 24 20 2 0 0 0 0 25 23 2 0 0 0 0 26 9 1 0 0 0 0 27 8 1 0 0 0 0 28 22 1 0 0 0 0 29 25 1 0 0 0 0 30 26 2 0 0 0 0 31 27 2 0 0 0 0 32 28 1 0 0 0 0 9 8 2 0 0 0 0 30 31 1 0 0 0 0 6 11 2 0 0 0 0 25 24 1 0 0 0 0 M END > (STT-00034262) STT-00034262 > (STT-00034262) 1000 $$$$ -ISIS- 02101918162D 25 27 0 0 0 0 0 0 0 0999 V2000 6.0625 4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3167 4.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2542 5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2000 6.2917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 6.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6542 5.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8500 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 4.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1125 7.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2042 3.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 2.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6375 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2125 4.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3667 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6125 3.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9792 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1667 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3792 1.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 10 2 0 0 0 0 8 3 2 0 0 0 0 9 11 2 0 0 0 0 10 12 1 0 0 0 0 11 6 1 0 0 0 0 12 6 2 0 0 0 0 13 5 2 0 0 0 0 14 8 1 0 0 0 0 15 7 1 0 0 0 0 16 9 1 0 0 0 0 17 10 1 0 0 0 0 18 14 2 0 0 0 0 19 14 1 0 0 0 0 20 15 1 0 0 0 0 21 16 1 0 0 0 0 22 17 1 0 0 0 0 23 18 1 0 0 0 0 24 19 2 0 0 0 0 25 24 1 0 0 0 0 3 5 1 0 0 0 0 7 9 1 0 0 0 0 23 25 2 0 0 0 0 M END > (STT-00045098) STT-00045098 > (STT-00045098) 1400 $$$$ -ISIS- 02101918162D 30 33 0 0 0 0 0 0 0 0999 V2000 2.4167 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9250 -1.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9292 -2.5750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -1.9125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6500 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -2.6292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2375 -3.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 -0.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -2.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7125 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -3.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -1.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2167 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8875 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8792 -4.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1167 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1292 -1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -0.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -4.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 10 6 2 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 9 1 0 0 0 0 14 8 1 0 0 0 0 15 4 1 0 0 0 0 16 7 1 0 0 0 0 17 12 2 0 0 0 0 18 12 1 0 0 0 0 19 13 2 0 0 0 0 20 13 1 0 0 0 0 21 14 1 0 0 0 0 22 15 1 0 0 0 0 23 16 1 0 0 0 0 24 21 1 0 0 0 0 25 18 2 0 0 0 0 26 19 1 0 0 0 0 27 20 2 0 0 0 0 28 17 1 0 0 0 0 29 25 1 0 0 0 0 30 27 1 0 0 0 0 7 4 2 0 0 0 0 23 22 1 0 0 0 0 30 26 2 0 0 0 0 29 28 2 0 0 0 0 M END > (STT-00079177) STT-00079177 > (STT-00079177) 1000 $$$$ -ISIS- 02101918162D 26 28 0 0 0 0 0 0 0 0999 V2000 -3.7958 6.1375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.6750 6.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2625 6.5292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 5.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1333 6.1417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4208 5.4792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7375 4.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 6.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0833 4.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5208 7.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 4.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1958 6.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7708 5.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0583 4.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 3.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6833 4.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4083 3.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6583 3.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3750 3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1083 7.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6458 7.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8333 7.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3583 6.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9750 2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2833 5.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3208 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 4 1 0 0 0 0 7 13 1 0 0 0 0 8 2 1 0 0 0 0 9 7 1 0 0 0 0 10 21 1 0 0 0 0 11 7 2 0 0 0 0 12 1 1 0 0 0 0 13 6 1 0 0 0 0 14 9 1 0 0 0 0 15 19 2 0 0 0 0 16 14 1 0 0 0 0 17 14 2 0 0 0 0 18 16 2 0 0 0 0 19 17 1 0 0 0 0 20 22 1 0 0 0 0 21 23 2 0 0 0 0 22 8 2 0 0 0 0 23 8 1 0 0 0 0 24 15 1 0 0 0 0 25 12 1 0 0 0 0 26 24 1 0 0 0 0 3 5 1 0 0 0 0 20 10 2 0 0 0 0 18 15 1 0 0 0 0 M END > (STT-00084335) STT-00084335 > (STT-00084335) 1000 $$$$ -ISIS- 02101918162D 17 19 0 0 0 0 0 0 0 0999 V2000 1.2292 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -2.3542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6750 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5125 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1875 -0.2542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5167 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -0.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 -1.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7875 -2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 6 1 0 0 0 0 9 6 1 0 0 0 0 10 4 2 0 0 0 0 11 7 2 0 0 0 0 12 9 1 0 0 0 0 13 8 1 0 0 0 0 14 10 1 0 0 0 0 15 14 2 0 0 0 0 16 12 1 0 0 0 0 17 13 1 0 0 0 0 2 7 1 0 0 0 0 15 11 1 0 0 0 0 17 16 1 0 0 0 0 M END > (STT-00108425) STT-00108425 > (STT-00108425) 900 $$$$ -ISIS- 02101918162D 16 18 0 0 0 0 0 0 0 0999 V2000 2.9542 -0.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6917 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -1.3542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -1.5167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7667 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 0.1458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7917 0.7250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -1.2750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -1.5250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 5 1 0 0 0 0 11 9 1 0 0 0 0 12 7 2 0 0 0 0 13 6 2 0 0 0 0 14 8 1 0 0 0 0 15 7 1 0 0 0 0 16 13 1 0 0 0 0 3 2 2 0 0 0 0 11 10 2 0 0 0 0 12 13 1 0 0 0 0 M END > (STT-00108727) STT-00108727 > (STT-00108727) 1000 $$$$ -ISIS- 02101918162D 21 22 0 0 0 0 0 0 0 0999 V2000 3.6542 -3.6750 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.5917 -2.8500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.2667 -2.3667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6625 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -4.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 -3.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -3.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -5.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 -4.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -3.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 -5.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6667 -2.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0167 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2417 -6.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -6.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -6.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3917 -7.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 6 2 0 0 0 0 10 13 2 0 0 0 0 11 4 2 0 0 0 0 12 5 2 0 0 0 0 13 11 1 0 0 0 0 14 2 1 0 0 0 0 15 5 1 0 0 0 0 16 3 1 0 0 0 0 17 9 1 0 0 0 0 18 10 1 0 0 0 0 19 14 1 0 0 0 0 20 17 1 0 0 0 0 21 18 1 0 0 0 0 16 19 1 0 0 0 0 9 10 1 0 0 0 0 M END > (STT-00138434) STT-00138434 > (STT-00138434) 1000 $$$$ -ISIS- 02101918162D 15 16 0 0 0 0 0 0 0 0999 V2000 -1.2000 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 0.4875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -0.8625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.4833 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -0.1792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2792 -1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0417 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -0.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9125 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9125 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 9 1 0 0 0 0 8 7 2 0 0 0 0 9 6 1 0 0 0 0 10 3 1 0 0 0 0 11 7 1 0 0 0 0 12 4 2 0 0 0 0 13 5 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 5 4 1 0 0 0 0 15 14 2 0 0 0 0 M END > (STT-00139053) STT-00139053 > (STT-00139053) 5520 $$$$ -ISIS- 02101918162D 17 18 0 0 0 0 0 0 0 0999 V2000 5.2167 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9375 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -3.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9375 -3.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -0.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 -0.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3625 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 -2.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3542 -3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 -2.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 4 2 0 0 0 0 8 2 2 0 0 0 0 9 5 2 0 0 0 0 10 5 1 0 0 0 0 11 3 1 0 0 0 0 12 7 1 0 0 0 0 13 10 2 0 0 0 0 14 10 1 0 0 0 0 15 14 2 0 0 0 0 16 13 1 0 0 0 0 17 15 1 0 0 0 0 7 6 1 0 0 0 0 16 17 2 0 0 0 0 M END > (STT-00156456) STT-00156456 > (STT-00156456) 1000 $$$$ -ISIS- 02101918162D 31 33 0 0 0 0 0 0 0 0999 V2000 -0.1625 1.5125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.1625 2.3333 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.6333 0.7000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.5375 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 2.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 3.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 0.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -2.0042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 0.9333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 1.5333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -0.1292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4458 2.3125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -2.2792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 6 1 0 0 0 0 9 5 1 0 0 0 0 10 2 2 0 0 0 0 11 2 2 0 0 0 0 12 3 2 0 0 0 0 13 3 2 0 0 0 0 14 7 2 0 0 0 0 15 9 2 0 0 0 0 16 8 2 0 0 0 0 17 4 2 0 0 0 0 18 24 2 0 0 0 0 19 23 2 0 0 0 0 20 25 2 0 0 0 0 21 6 2 0 0 0 0 22 5 2 0 0 0 0 23 17 1 0 0 0 0 24 21 1 0 0 0 0 25 22 1 0 0 0 0 26 16 1 0 0 0 0 27 15 1 0 0 0 0 28 14 1 0 0 0 0 29 19 1 0 0 0 0 30 20 1 0 0 0 0 31 18 1 0 0 0 0 14 19 1 0 0 0 0 16 18 1 0 0 0 0 20 15 1 0 0 0 0 M END > (STT-00156590) STT-00156590 > (STT-00156590) 1870 $$$$ -ISIS- 02101918162D 13 14 0 0 0 0 0 0 0 0999 V2000 -1.9500 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 -0.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5125 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5125 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 0.0125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6500 0.0125 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 2 1 0 0 0 0 5 1 2 0 0 0 0 6 3 2 0 0 0 0 7 1 1 0 0 0 0 8 5 1 0 0 0 0 9 4 2 0 0 0 0 10 7 2 0 0 0 0 11 10 1 0 0 0 0 12 10 1 0 0 0 0 13 3 1 0 0 0 0 8 11 2 0 0 0 0 6 4 1 0 0 0 0 M END > (STT-00156594) STT-00156594 > (STT-00156594) 2450 $$$$ -ISIS- 02101918162D 29 31 0 0 0 0 0 0 0 0999 V2000 -1.0500 2.3125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.0500 -0.4500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.9500 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -1.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 1.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3958 3.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -2.8042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3125 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2958 3.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 2.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 3.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -2.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8292 -0.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 0.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 1.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 3.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7708 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7333 3.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 3 2 0 0 0 0 9 5 2 0 0 0 0 10 7 2 0 0 0 0 11 8 1 0 0 0 0 12 22 1 0 0 0 0 13 1 2 0 0 0 0 14 1 2 0 0 0 0 15 5 1 0 0 0 0 16 11 2 0 0 0 0 17 2 2 0 0 0 0 18 2 2 0 0 0 0 19 9 1 0 0 0 0 20 15 1 0 0 0 0 21 6 1 0 0 0 0 22 25 2 0 0 0 0 23 24 1 0 0 0 0 24 21 2 0 0 0 0 25 21 1 0 0 0 0 26 8 1 0 0 0 0 27 7 1 0 0 0 0 28 10 1 0 0 0 0 29 11 1 0 0 0 0 12 23 2 0 0 0 0 16 10 1 0 0 0 0 20 19 2 0 0 0 0 M END > (STT-00156598) STT-00156598 > (STT-00156598) 1340 $$$$ -ISIS- 02101918162D 31 35 0 0 0 0 0 0 0 0999 V2000 -2.9708 0.0833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.5708 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3333 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6125 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 1.7833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 0.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5708 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5333 -1.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 0.9458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 2.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2208 -2.4000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.3708 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 -3.1167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 3.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 5 2 0 0 0 0 5 12 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 9 2 0 0 0 0 11 1 1 0 0 0 0 12 18 1 0 0 0 0 13 19 2 0 0 0 0 14 11 2 0 0 0 0 15 12 2 0 0 0 0 16 2 1 0 0 0 0 17 14 1 0 0 0 0 18 22 1 0 0 0 0 19 15 1 0 0 0 0 20 24 1 0 0 0 0 21 11 1 0 0 0 0 22 16 1 0 0 0 0 23 16 2 0 0 0 0 24 21 2 0 0 0 0 25 3 1 0 0 0 0 26 17 1 0 0 0 0 27 6 1 0 0 0 0 28 9 1 0 0 0 0 29 20 1 0 0 0 0 30 10 1 0 0 0 0 31 28 1 0 0 0 0 2 7 1 0 0 0 0 20 17 2 0 0 0 0 13 4 1 0 0 0 0 8 10 1 0 0 0 0 30 31 1 0 0 0 0 M END > (STT-00156602) STT-00156602 > (STT-00156602) 1100 $$$$ -ISIS- 02101918162D 30 34 0 0 0 0 0 0 0 0999 V2000 -2.9500 0.1000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.5500 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3333 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5708 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3333 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 1.7458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2500 0.3458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 0.0208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5708 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 0.9208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 2.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5333 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3125 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 3.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1958 -2.3167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 5 2 0 0 0 0 5 12 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 9 2 0 0 0 0 11 1 1 0 0 0 0 12 17 1 0 0 0 0 13 18 2 0 0 0 0 14 12 2 0 0 0 0 15 2 1 0 0 0 0 16 11 2 0 0 0 0 17 19 1 0 0 0 0 18 14 1 0 0 0 0 19 15 1 0 0 0 0 20 15 2 0 0 0 0 21 16 1 0 0 0 0 22 3 1 0 0 0 0 23 6 1 0 0 0 0 24 9 1 0 0 0 0 25 10 1 0 0 0 0 26 11 1 0 0 0 0 27 21 1 0 0 0 0 28 24 1 0 0 0 0 29 26 2 0 0 0 0 30 29 1 0 0 0 0 7 2 1 0 0 0 0 21 30 2 0 0 0 0 4 13 1 0 0 0 0 10 8 1 0 0 0 0 28 25 1 0 0 0 0 M END > (STT-00156603) STT-00156603 > (STT-00156603) 960 $$$$ -ISIS- 02101918162D 23 25 0 0 0 0 0 0 0 0999 V2000 1.8375 0.5958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.5792 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 1.7458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 1.3958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 0.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 1.4208 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 0.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 1.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9833 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 -0.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7000 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 11 1 0 0 0 0 8 1 1 0 0 0 0 9 7 1 0 0 0 0 10 7 2 0 0 0 0 11 6 1 0 0 0 0 12 9 1 0 0 0 0 13 16 1 0 0 0 0 14 12 2 0 0 0 0 15 12 1 0 0 0 0 16 15 2 0 0 0 0 17 14 1 0 0 0 0 18 8 2 0 0 0 0 19 8 1 0 0 0 0 20 13 1 0 0 0 0 21 18 1 0 0 0 0 22 19 2 0 0 0 0 23 22 1 0 0 0 0 4 3 1 0 0 0 0 23 21 2 0 0 0 0 13 17 2 0 0 0 0 M END > (STT-00156607) STT-00156607 > (STT-00156607) 1000 $$$$ -ISIS- 02101918162D 29 32 0 0 0 0 0 0 0 0999 V2000 -0.6208 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0625 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6792 0.8458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2375 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0625 -1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 0.3208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 -0.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -0.7167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 0.0833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 1.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -1.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 4 2 0 0 0 0 4 12 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 8 2 0 0 0 0 10 5 1 0 0 0 0 11 1 1 0 0 0 0 12 17 1 0 0 0 0 13 2 1 0 0 0 0 14 18 2 0 0 0 0 15 12 2 0 0 0 0 16 11 1 0 0 0 0 17 21 1 0 0 0 0 18 15 1 0 0 0 0 19 13 2 0 0 0 0 20 16 2 0 0 0 0 21 16 1 0 0 0 0 22 13 1 0 0 0 0 23 8 1 0 0 0 0 24 9 1 0 0 0 0 25 6 1 0 0 0 0 26 10 1 0 0 0 0 27 23 1 0 0 0 0 28 22 1 0 0 0 0 29 28 1 0 0 0 0 10 6 2 0 0 0 0 3 14 1 0 0 0 0 7 9 1 0 0 0 0 24 27 1 0 0 0 0 M END > (STT-00156632) STT-00156632 > (STT-00156632) 1120 $$$$ -ISIS- 02101918162D 37 40 0 0 0 0 0 0 0 0999 V2000 -0.8625 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 0.4625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 1.2000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.0167 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 0.1458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 0.8625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 1.5833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 0.8833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 1.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -0.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 1.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 0.1000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 2.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 0.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7542 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7167 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 21 2 0 0 0 0 11 20 1 0 0 0 0 12 6 1 0 0 0 0 13 11 1 0 0 0 0 14 10 1 0 0 0 0 15 19 1 0 0 0 0 16 10 1 0 0 0 0 17 4 2 0 0 0 0 18 26 1 0 0 0 0 19 18 1 0 0 0 0 20 15 2 0 0 0 0 21 15 1 0 0 0 0 22 5 1 0 0 0 0 23 13 2 0 0 0 0 24 14 2 0 0 0 0 25 18 2 0 0 0 0 26 12 1 0 0 0 0 27 22 1 0 0 0 0 28 27 2 0 0 0 0 29 8 1 0 0 0 0 30 14 1 0 0 0 0 31 13 1 0 0 0 0 32 9 1 0 0 0 0 33 29 1 0 0 0 0 34 30 1 0 0 0 0 35 31 1 0 0 0 0 36 35 1 0 0 0 0 37 34 1 0 0 0 0 7 9 1 0 0 0 0 32 33 1 0 0 0 0 6 3 2 0 0 0 0 16 11 2 0 0 0 0 M END > (STT-00156636) STT-00156636 > (STT-00156636) 1280 $$$$ -ISIS- 02101918162D 19 20 0 0 0 0 0 0 0 0999 V2000 -1.4000 2.3208 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.4000 1.5625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.6458 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 2.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 3.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 0.0458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.7458 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 2.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 2.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7458 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 0.9833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6542 2.3458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 14 1 0 0 0 0 9 2 1 0 0 0 0 10 2 1 0 0 0 0 11 13 1 0 0 0 0 12 3 1 0 0 0 0 13 12 2 0 0 0 0 14 10 1 0 0 0 0 15 9 1 0 0 0 0 16 5 1 0 0 0 0 17 11 1 0 0 0 0 18 8 1 0 0 0 0 19 18 1 0 0 0 0 8 15 1 0 0 0 0 11 5 2 0 0 0 0 M END > (STT-00156641) STT-00156641 > (STT-00156641) 3300 $$$$ -ISIS- 02101918162D 26 29 0 0 0 0 0 0 0 0999 V2000 -2.4000 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 -1.2292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 -1.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 -0.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3458 0.1958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5458 1.0708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5208 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 1.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1458 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 2.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 2.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6625 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5833 3.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 10 1 0 0 0 0 9 6 1 0 0 0 0 10 7 2 0 0 0 0 11 14 1 0 0 0 0 12 11 1 0 0 0 0 13 11 2 0 0 0 0 14 9 1 0 0 0 0 15 12 1 0 0 0 0 16 4 1 0 0 0 0 17 5 1 0 0 0 0 18 21 2 0 0 0 0 19 15 1 0 0 0 0 20 15 2 0 0 0 0 21 20 1 0 0 0 0 22 19 2 0 0 0 0 23 18 1 0 0 0 0 24 17 1 0 0 0 0 25 23 1 0 0 0 0 26 25 1 0 0 0 0 4 5 2 0 0 0 0 6 8 2 0 0 0 0 16 24 1 0 0 0 0 18 22 1 0 0 0 0 M END > (STT-00156653) STT-00156653 > (STT-00156653) 1090 $$$$ -ISIS- 02101918162D 34 38 0 0 0 0 0 0 0 0999 V2000 -1.7000 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 0.7708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.0458 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -1.5500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5625 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7458 -1.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 -0.9042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 -0.5042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 0.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 2.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 -1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0833 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 2 0 0 0 0 5 11 1 0 0 0 0 6 7 2 0 0 0 0 7 1 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 9 2 0 0 0 0 11 17 1 0 0 0 0 12 18 2 0 0 0 0 13 11 2 0 0 0 0 14 1 1 0 0 0 0 15 19 1 0 0 0 0 16 3 1 0 0 0 0 17 20 1 0 0 0 0 18 13 1 0 0 0 0 19 25 1 0 0 0 0 20 14 1 0 0 0 0 21 15 2 0 0 0 0 22 14 2 0 0 0 0 23 16 2 0 0 0 0 24 16 1 0 0 0 0 25 24 2 0 0 0 0 26 23 1 0 0 0 0 27 2 1 0 0 0 0 28 9 1 0 0 0 0 29 6 1 0 0 0 0 30 15 1 0 0 0 0 31 10 1 0 0 0 0 32 28 1 0 0 0 0 33 30 1 0 0 0 0 34 33 1 0 0 0 0 6 3 1 0 0 0 0 19 26 2 0 0 0 0 12 4 1 0 0 0 0 10 8 1 0 0 0 0 32 31 1 0 0 0 0 M END > (STT-00156656) STT-00156656 > (STT-00156656) 1110 $$$$ -ISIS- 02101918162D 25 27 0 0 0 0 0 0 0 0999 V2000 -1.3708 2.4125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.3708 1.6500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.6333 2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 0.1708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.2500 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 3.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 2.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0125 1.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0125 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0125 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 1.1125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 2.4125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0125 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 -2.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 13 1 0 0 0 0 5 3 2 0 0 0 0 6 5 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 2 1 0 0 0 0 10 2 1 0 0 0 0 11 4 1 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 16 1 0 0 0 0 15 3 1 0 0 0 0 16 15 2 0 0 0 0 17 11 1 0 0 0 0 18 11 2 0 0 0 0 19 6 1 0 0 0 0 20 14 1 0 0 0 0 21 22 2 0 0 0 0 22 18 1 0 0 0 0 23 17 2 0 0 0 0 24 21 1 0 0 0 0 25 24 1 0 0 0 0 12 4 1 0 0 0 0 6 14 2 0 0 0 0 23 21 1 0 0 0 0 M END > (STT-00156659) STT-00156659 > (STT-00156659) 2360 $$$$ -ISIS- 02101918162D 16 16 0 0 0 0 0 0 0 0999 V2000 -1.1625 2.4125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.4000 2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 1.6500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7375 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 3.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 2.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 1.0500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 2.4333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 10 1 0 0 0 0 9 2 1 0 0 0 0 10 9 2 0 0 0 0 11 5 1 0 0 0 0 12 8 1 0 0 0 0 13 4 1 0 0 0 0 14 4 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 5 8 2 0 0 0 0 M END > (STT-00156663) STT-00156663 > (STT-00156663) 1160 $$$$ -ISIS- 02101918162D 20 20 0 0 0 0 0 0 0 0999 V2000 -1.8625 1.6708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -2.6000 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9708 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6833 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 0.9458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 1.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 2.3625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0500 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9708 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 1.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6833 1.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0208 2.9000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.7708 1.6208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 2.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2625 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 2.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 1 1 0 0 0 0 8 16 1 0 0 0 0 9 12 1 0 0 0 0 10 2 1 0 0 0 0 11 8 2 0 0 0 0 12 10 2 0 0 0 0 13 4 1 0 0 0 0 14 9 1 0 0 0 0 15 8 1 0 0 0 0 16 18 1 0 0 0 0 17 7 1 0 0 0 0 18 20 1 0 0 0 0 19 17 1 0 0 0 0 20 19 1 0 0 0 0 4 9 2 0 0 0 0 M END > (STT-00156672) STT-00156672 > (STT-00156672) 1100 $$$$ -ISIS- 02101918162D 18 19 0 0 0 0 0 0 0 0999 V2000 0.3042 0.3833 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.4333 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 1.1208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.7958 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 0.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -0.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 1.6625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 0.3833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 2.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 10 1 0 0 0 0 9 2 1 0 0 0 0 10 9 2 0 0 0 0 11 5 1 0 0 0 0 12 8 1 0 0 0 0 13 3 1 0 0 0 0 14 3 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 16 1 0 0 0 0 18 15 1 0 0 0 0 18 17 1 0 0 0 0 8 5 2 0 0 0 0 M END > (STT-00156674) STT-00156674 > (STT-00156674) 1690 $$$$ -ISIS- 02101918162D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.1625 0.6958 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.1625 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 0.6958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.5000 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 -0.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 0.6958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 2.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 2.9708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 3.7333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 10 1 0 0 0 0 9 2 1 0 0 0 0 10 9 2 0 0 0 0 11 5 1 0 0 0 0 12 8 1 0 0 0 0 13 3 1 0 0 0 0 14 3 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 16 1 0 0 0 0 15 17 1 0 0 0 0 5 8 2 0 0 0 0 M END > (STT-00156676) STT-00156676 > (STT-00156676) 1300 $$$$ -ISIS- 02101918162D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.1500 0.7000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.3958 0.7000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.1500 1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 2.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 0.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 2.9833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 3.7458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 10 1 0 0 0 0 9 3 1 0 0 0 0 10 9 2 0 0 0 0 11 17 1 0 0 0 0 12 2 1 0 0 0 0 13 2 1 0 0 0 0 14 5 1 0 0 0 0 15 8 1 0 0 0 0 16 12 1 0 0 0 0 17 13 1 0 0 0 0 11 16 1 0 0 0 0 8 5 2 0 0 0 0 M END > (STT-00156678) STT-00156678 > (STT-00156678) 1660 $$$$ -ISIS- 02101918162D 16 16 0 0 0 0 0 0 0 0999 V2000 -1.1833 0.3500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.9333 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -0.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 0.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 1.0958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4458 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 1.6125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.1958 0.3000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 1.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0875 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 1 1 0 0 0 0 8 10 1 0 0 0 0 9 2 1 0 0 0 0 10 9 2 0 0 0 0 11 4 1 0 0 0 0 12 8 1 0 0 0 0 13 7 1 0 0 0 0 14 15 1 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 8 4 2 0 0 0 0 M END > (STT-00156685) STT-00156685 > (STT-00156685) 1130 $$$$ -ISIS- 02101918162D 19 20 0 0 0 0 0 0 0 0999 V2000 0.2667 1.4333 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.9167 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 0.7708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 -0.4542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 2.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 1.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 0.7708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5542 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 7 3 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 8 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 14 2 0 0 0 0 11 10 1 0 0 0 0 12 9 1 0 0 0 0 13 9 2 0 0 0 0 14 13 1 0 0 0 0 15 12 2 0 0 0 0 16 2 1 0 0 0 0 17 8 1 0 0 0 0 18 16 2 0 0 0 0 19 18 1 0 0 0 0 10 15 1 0 0 0 0 17 19 2 0 0 0 0 M END > (STT-00156686) STT-00156686 > (STT-00156686) 1730 $$$$ -ISIS- 02101918162D 22 25 0 0 0 0 0 0 0 0999 V2000 0.2375 1.5458 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.0708 0.9125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 0.8708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8375 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 -0.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 2.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 1.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 1.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4208 -0.1542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2333 0.5958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2958 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5708 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 8 3 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 4 2 0 0 0 0 10 13 1 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 13 3 1 0 0 0 0 14 3 1 0 0 0 0 15 3 1 0 0 0 0 16 11 1 0 0 0 0 17 11 1 0 0 0 0 18 12 1 0 0 0 0 19 4 1 0 0 0 0 20 9 1 0 0 0 0 21 19 2 0 0 0 0 22 21 1 0 0 0 0 20 22 2 0 0 0 0 17 10 1 0 0 0 0 12 16 1 0 0 0 0 18 10 1 0 0 0 0 M END > (STT-00156688) STT-00156688 > (STT-00156688) 1220 $$$$ -ISIS- 02101918162D 16 16 0 0 0 0 0 0 0 0999 V2000 1.2667 0.0333 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.5500 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -0.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 0.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1875 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 2.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 1.2958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.6125 0.0333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 2.1958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 5 1 0 0 0 0 10 13 1 0 0 0 0 11 2 1 0 0 0 0 12 9 2 0 0 0 0 13 11 2 0 0 0 0 14 6 1 0 0 0 0 15 10 1 0 0 0 0 16 9 1 0 0 0 0 10 6 2 0 0 0 0 M END > (STT-00156712) STT-00156712 > (STT-00156712) 1000 $$$$ -ISIS- 02101918162D 24 26 0 0 0 0 0 0 0 0999 V2000 -1.1125 -1.7542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.3708 -1.7542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1125 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 -1.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1125 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1125 1.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -1.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1125 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 2.6625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3958 1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3958 2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0333 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0333 2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 10 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 8 1 0 0 0 0 8 17 1 0 0 0 0 9 4 1 0 0 0 0 10 2 1 0 0 0 0 11 4 2 0 0 0 0 12 9 1 0 0 0 0 13 7 2 0 0 0 0 14 11 1 0 0 0 0 15 3 2 0 0 0 0 16 3 1 0 0 0 0 17 20 1 0 0 0 0 18 13 1 0 0 0 0 19 15 1 0 0 0 0 20 16 2 0 0 0 0 21 7 1 0 0 0 0 22 13 1 0 0 0 0 23 21 2 0 0 0 0 24 23 1 0 0 0 0 19 17 2 0 0 0 0 12 14 2 0 0 0 0 24 22 2 0 0 0 0 M END > (STT-00156714) STT-00156714 > (STT-00156714) 1100 $$$$ -ISIS- 02101918162D 19 20 0 0 0 0 0 0 0 0999 V2000 -1.5625 0.2833 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -2.2625 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 0.6833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.0208 -0.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 -0.3542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 1.4625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.0625 1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 1.4833 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 -0.9167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6208 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2833 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2833 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 11 1 0 0 0 0 7 3 1 0 0 0 0 8 3 1 0 0 0 0 9 2 2 0 0 0 0 10 2 1 0 0 0 0 11 8 1 0 0 0 0 12 7 1 0 0 0 0 13 9 1 0 0 0 0 14 10 1 0 0 0 0 15 6 1 0 0 0 0 16 17 1 0 0 0 0 17 10 2 0 0 0 0 18 9 1 0 0 0 0 19 15 1 0 0 0 0 12 6 1 0 0 0 0 16 18 2 0 0 0 0 M END > (STT-00156718) STT-00156718 > (STT-00156718) 1280 $$$$ -ISIS- 02101918162D 20 21 0 0 0 0 0 0 0 0999 V2000 -1.1958 -0.0292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.8708 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 -0.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -0.7042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 0.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 2.0333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.2125 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 2.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 -1.2042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 1.1708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 1.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2333 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1667 2.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5875 3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 13 1 0 0 0 0 7 2 1 0 0 0 0 8 2 2 0 0 0 0 9 19 1 0 0 0 0 10 5 1 0 0 0 0 11 7 1 0 0 0 0 12 8 1 0 0 0 0 13 10 1 0 0 0 0 14 6 1 0 0 0 0 15 6 1 0 0 0 0 16 18 2 0 0 0 0 17 7 2 0 0 0 0 18 8 1 0 0 0 0 19 15 1 0 0 0 0 20 14 1 0 0 0 0 16 17 1 0 0 0 0 20 9 1 0 0 0 0 M END > (STT-00156720) STT-00156720 > (STT-00156720) 1770 $$$$ -ISIS- 02101918162D 16 16 0 0 0 0 0 0 0 0999 V2000 -1.4833 0.3125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -2.1625 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 0.9958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 -0.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 0.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 -0.8500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 1.5125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1625 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1458 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 1.0125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3000 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 13 2 0 0 0 0 12 6 2 0 0 0 0 13 7 1 0 0 0 0 14 8 1 0 0 0 0 15 14 1 0 0 0 0 16 14 1 0 0 0 0 12 11 1 0 0 0 0 M END > (STT-00156721) STT-00156721 > (STT-00156721) 1550 $$$$ -ISIS- 02101918162D 37 40 0 0 0 0 0 0 0 0999 V2000 -1.0833 1.0458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.0833 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 1.0458 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.3625 1.0458 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.5458 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -0.7542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.8208 -0.8167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.8000 1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 0.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 1.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 0.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -0.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 3.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7375 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 2.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 3.2083 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8167 -0.2167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 1.0458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 3.9208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -1.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -2.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -2.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 2 2 0 0 0 0 7 6 1 0 0 0 0 8 5 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 10 1 0 0 0 0 12 9 1 0 0 0 0 13 3 2 0 0 0 0 14 4 2 0 0 0 0 15 3 2 0 0 0 0 16 4 2 0 0 0 0 17 11 2 0 0 0 0 18 12 2 0 0 0 0 19 5 2 0 0 0 0 20 8 1 0 0 0 0 21 26 2 0 0 0 0 22 25 2 0 0 0 0 23 10 2 0 0 0 0 24 9 2 0 0 0 0 25 24 1 0 0 0 0 26 23 1 0 0 0 0 27 7 1 0 0 0 0 28 6 1 0 0 0 0 29 18 1 0 0 0 0 30 17 1 0 0 0 0 31 21 1 0 0 0 0 32 22 1 0 0 0 0 33 20 2 0 0 0 0 34 20 1 0 0 0 0 35 34 2 0 0 0 0 36 33 1 0 0 0 0 37 35 1 0 0 0 0 7 8 1 0 0 0 0 21 17 1 0 0 0 0 18 22 1 0 0 0 0 37 36 2 0 0 0 0 M END > (STT-00156725) STT-00156725 > (STT-00156725) 1200 $$$$ -ISIS- 02101918162D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.4500 0.7333 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -2.1500 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 1.1333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.9125 0.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 0.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 1.9333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -0.4667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 2.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 1.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5125 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1708 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1708 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 2.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 2 2 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 9 1 0 0 0 0 13 8 1 0 0 0 0 14 12 1 0 0 0 0 15 16 1 0 0 0 0 16 7 2 0 0 0 0 17 6 1 0 0 0 0 18 14 1 0 0 0 0 17 15 2 0 0 0 0 14 13 1 0 0 0 0 M END > (STT-00156736) STT-00156736 > (STT-00156736) 1560 $$$$ -ISIS- 02101918162D 20 20 0 0 0 0 0 0 0 0999 V2000 -0.3208 -0.4042 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.3208 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -0.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 -0.9042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1542 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -0.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 -0.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -0.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 0.2125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 0.2125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 2 1 0 0 0 0 9 2 2 0 0 0 0 10 5 2 0 0 0 0 11 5 1 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 4 1 0 0 0 0 15 17 2 0 0 0 0 16 8 2 0 0 0 0 17 9 1 0 0 0 0 18 14 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 15 16 1 0 0 0 0 M END > (STT-00156753) STT-00156753 > (STT-00156753) 1000 $$$$ -ISIS- 02101918162D 21 22 0 0 0 0 0 0 0 0999 V2000 -0.1458 -0.6042 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.1458 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -0.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -1.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 -0.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -0.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 -0.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 -0.0042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 2 2 0 0 0 0 10 2 1 0 0 0 0 11 6 2 0 0 0 0 12 6 1 0 0 0 0 13 10 1 0 0 0 0 14 9 1 0 0 0 0 15 4 2 0 0 0 0 16 5 2 0 0 0 0 17 18 1 0 0 0 0 18 10 2 0 0 0 0 19 9 1 0 0 0 0 20 21 2 0 0 0 0 21 16 1 0 0 0 0 17 19 2 0 0 0 0 15 20 1 0 0 0 0 M END > (STT-00156755) STT-00156755 > (STT-00156755) 1090 $$$$ -ISIS- 02101918162D 16 16 0 0 0 0 0 0 0 0999 V2000 0.2542 -0.0042 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.2542 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -0.6042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 -0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -0.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 0.6125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 0.6125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -1.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -2.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 5 1 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 13 6 2 0 0 0 0 14 7 1 0 0 0 0 15 10 1 0 0 0 0 16 12 1 0 0 0 0 11 13 1 0 0 0 0 M END > (STT-00156759) STT-00156759 > (STT-00156759) 1080 $$$$ -ISIS- 02101918162D 18 19 0 0 0 0 0 0 0 0999 V2000 0.8167 0.4208 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.8167 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 0.4208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 0.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 -0.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8375 -0.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 -1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 1.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 1.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 1.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 10 1 0 0 0 0 7 2 2 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 10 3 1 0 0 0 0 11 6 2 0 0 0 0 12 9 1 0 0 0 0 13 11 1 0 0 0 0 14 8 1 0 0 0 0 15 7 1 0 0 0 0 16 18 1 0 0 0 0 17 7 1 0 0 0 0 18 8 2 0 0 0 0 16 17 2 0 0 0 0 12 13 2 0 0 0 0 M END > (STT-00156760) STT-00156760 > (STT-00156760) 1310 $$$$ -ISIS- 02101918162D 25 27 0 0 0 0 0 0 0 0999 V2000 1.5042 1.3125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 1.5042 1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 0.8708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.4667 -0.0500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.9875 1.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1875 0.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9042 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 1.8958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 1.8500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -1.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3500 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7500 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4042 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 13 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 3 1 0 0 0 0 10 2 1 0 0 0 0 11 2 2 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 7 1 0 0 0 0 15 10 1 0 0 0 0 16 11 1 0 0 0 0 17 14 1 0 0 0 0 18 7 2 0 0 0 0 19 20 2 0 0 0 0 20 11 1 0 0 0 0 21 10 2 0 0 0 0 22 14 2 0 0 0 0 23 17 1 0 0 0 0 24 18 1 0 0 0 0 25 24 2 0 0 0 0 12 4 1 0 0 0 0 19 21 1 0 0 0 0 25 22 1 0 0 0 0 M END > (STT-00156761) STT-00156761 > (STT-00156761) 1670 $$$$ -ISIS- 02101918162D 20 20 0 0 0 0 0 0 0 0999 V2000 -0.3333 -0.4167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.3042 -0.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 -0.9542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2292 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 -1.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 -0.4542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 1.4000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 -1.5167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 2.0625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5292 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 13 1 0 0 0 0 11 6 2 0 0 0 0 12 3 1 0 0 0 0 13 12 2 0 0 0 0 14 7 1 0 0 0 0 15 6 1 0 0 0 0 16 10 1 0 0 0 0 17 4 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 7 10 2 0 0 0 0 M END > (STT-00156764) STT-00156764 > (STT-00156764) 1060 $$$$ -ISIS- 02101918162D 20 21 0 0 0 0 0 0 0 0999 V2000 -2.3208 1.0625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -2.3208 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 1.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 0.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 0.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2833 1.6208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 1.6000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 2.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 2 2 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 5 1 0 0 0 0 11 15 1 0 0 0 0 12 14 2 0 0 0 0 13 6 2 0 0 0 0 14 7 1 0 0 0 0 15 10 1 0 0 0 0 16 11 1 0 0 0 0 17 11 2 0 0 0 0 18 16 2 0 0 0 0 19 17 1 0 0 0 0 20 19 2 0 0 0 0 12 13 1 0 0 0 0 18 20 1 0 0 0 0 M END > (STT-00156780) STT-00156780 > (STT-00156780) 1080 $$$$ -ISIS- 02101918162D 46 51 0 0 0 0 0 0 0 0999 V2000 -1.7000 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 1.5833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.0000 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 0.9625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 0.8458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9792 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 1.2625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0375 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 1.0833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 1.1833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 2.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3458 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 0.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 1.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6000 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 0.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1292 -0.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6833 1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9833 1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3625 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 6 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 8 2 0 0 0 0 8 15 1 0 0 0 0 9 1 1 0 0 0 0 10 2 1 0 0 0 0 11 9 2 0 0 0 0 12 7 1 0 0 0 0 13 8 1 0 0 0 0 14 13 1 0 0 0 0 15 18 1 0 0 0 0 16 7 1 0 0 0 0 17 4 1 0 0 0 0 18 25 1 0 0 0 0 19 3 1 0 0 0 0 20 6 2 0 0 0 0 21 12 1 0 0 0 0 22 9 1 0 0 0 0 23 16 2 0 0 0 0 24 18 2 0 0 0 0 25 17 1 0 0 0 0 26 21 2 0 0 0 0 27 21 1 0 0 0 0 28 16 1 0 0 0 0 29 11 1 0 0 0 0 30 31 1 0 0 0 0 31 27 2 0 0 0 0 32 26 1 0 0 0 0 33 30 1 0 0 0 0 34 19 2 0 0 0 0 35 19 1 0 0 0 0 36 22 1 0 0 0 0 37 22 2 0 0 0 0 38 28 1 0 0 0 0 39 33 1 0 0 0 0 40 38 1 0 0 0 0 41 34 1 0 0 0 0 42 35 2 0 0 0 0 43 36 2 0 0 0 0 44 37 1 0 0 0 0 45 44 2 0 0 0 0 46 42 1 0 0 0 0 10 11 1 0 0 0 0 4 5 2 0 0 0 0 45 43 1 0 0 0 0 46 41 2 0 0 0 0 14 12 2 0 0 0 0 30 32 2 0 0 0 0 M END > (STT-00156826) STT-00156826 > (STT-00156826) 970 $$$$ -ISIS- 02101918162D 21 23 0 0 0 0 0 0 0 0999 V2000 -2.1208 -1.3375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.7458 -1.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -1.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -1.7792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 -1.8000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 -0.5542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5833 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 1.1625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 1.6458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9208 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1625 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3833 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5208 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 11 16 2 0 0 0 0 12 13 1 0 0 0 0 13 6 1 0 0 0 0 14 8 1 0 0 0 0 15 9 1 0 0 0 0 16 12 1 0 0 0 0 17 7 2 0 0 0 0 18 7 1 0 0 0 0 19 17 1 0 0 0 0 20 18 2 0 0 0 0 21 20 1 0 0 0 0 4 3 1 0 0 0 0 19 21 2 0 0 0 0 9 8 2 0 0 0 0 M END > (STT-00156829) STT-00156829 > (STT-00156829) 1140 $$$$ -ISIS- 02101918162D 18 19 0 0 0 0 0 0 0 0999 V2000 -1.2458 0.3500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.2458 -0.5667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.2458 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 0.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 0.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 -1.0292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0458 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 1.2500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 1.2708 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 3.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 3 2 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 2 1 0 0 0 0 10 7 1 0 0 0 0 11 6 1 0 0 0 0 12 13 1 0 0 0 0 13 7 2 0 0 0 0 14 6 1 0 0 0 0 15 8 1 0 0 0 0 16 8 1 0 0 0 0 17 9 1 0 0 0 0 18 17 1 0 0 0 0 12 14 2 0 0 0 0 18 16 1 0 0 0 0 M END > (STT-00156832) STT-00156832 > (STT-00156832) 1070 $$$$ -ISIS- 02101918162D 28 31 0 0 0 0 0 0 0 0999 V2000 1.2167 -0.6000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.4625 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -1.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1125 -1.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5125 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7875 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 2.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8042 -1.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -0.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 2.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 2.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 0.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5208 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9292 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0833 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 2 0 0 0 0 3 10 2 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 1 0 0 0 0 7 6 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 12 1 0 0 0 0 11 1 1 0 0 0 0 12 6 2 0 0 0 0 13 16 1 0 0 0 0 14 1 2 0 0 0 0 15 1 2 0 0 0 0 16 17 2 0 0 0 0 17 11 1 0 0 0 0 18 13 2 0 0 0 0 19 13 1 0 0 0 0 20 12 1 0 0 0 0 21 8 1 0 0 0 0 22 11 2 0 0 0 0 23 9 1 0 0 0 0 24 25 2 0 0 0 0 25 22 1 0 0 0 0 26 20 1 0 0 0 0 27 21 2 0 0 0 0 28 23 2 0 0 0 0 16 24 1 0 0 0 0 3 2 1 0 0 0 0 9 8 2 0 0 0 0 28 27 1 0 0 0 0 M END > (STT-00156864) STT-00156864 > (STT-00156864) 980 $$$$ -ISIS- 02101918162D 31 35 0 0 0 0 0 0 0 0999 V2000 -2.8333 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1708 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 1.5458 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.1708 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5333 -0.8167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5333 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 -0.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 -0.3167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1708 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 0.2833 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1708 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4958 1.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5125 2.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1333 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7708 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1125 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 2.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1333 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 2.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 6 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 16 1 0 0 0 0 7 8 2 0 0 0 0 8 1 1 0 0 0 0 9 5 1 0 0 0 0 10 3 1 0 0 0 0 11 14 2 0 0 0 0 12 6 2 0 0 0 0 13 10 2 0 0 0 0 14 12 1 0 0 0 0 15 1 1 0 0 0 0 16 18 1 0 0 0 0 17 4 1 0 0 0 0 18 15 1 0 0 0 0 19 15 2 0 0 0 0 20 17 2 0 0 0 0 21 17 1 0 0 0 0 22 2 1 0 0 0 0 23 7 1 0 0 0 0 24 10 1 0 0 0 0 25 13 1 0 0 0 0 26 21 2 0 0 0 0 27 20 1 0 0 0 0 28 26 1 0 0 0 0 29 24 1 0 0 0 0 30 14 1 0 0 0 0 31 28 1 0 0 0 0 7 4 1 0 0 0 0 28 27 2 0 0 0 0 5 11 1 0 0 0 0 13 9 1 0 0 0 0 29 25 1 0 0 0 0 M END > (STT-00156891) STT-00156891 > (STT-00156891) 1120 $$$$ -ISIS- 02101918162D 33 37 0 0 0 0 0 0 0 0999 V2000 -2.6833 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9833 2.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3208 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3208 0.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0208 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7625 2.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6625 0.2708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6625 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0208 0.2125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8625 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2458 2.5708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 2.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9833 1.9958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3458 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 1.2958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2833 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 3.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 2.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 1.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 2.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8833 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2083 0.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2083 1.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 3.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6208 3.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 3.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 1 0 0 0 0 4 3 2 0 0 0 0 5 17 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 16 2 0 0 0 0 10 5 2 0 0 0 0 11 8 2 0 0 0 0 12 2 1 0 0 0 0 13 6 2 0 0 0 0 14 2 1 0 0 0 0 15 1 1 0 0 0 0 16 10 1 0 0 0 0 17 22 1 0 0 0 0 18 14 1 0 0 0 0 19 6 1 0 0 0 0 20 15 2 0 0 0 0 21 18 2 0 0 0 0 22 18 1 0 0 0 0 23 15 1 0 0 0 0 24 8 1 0 0 0 0 25 11 1 0 0 0 0 26 24 1 0 0 0 0 27 16 1 0 0 0 0 28 19 2 0 0 0 0 29 19 1 0 0 0 0 30 23 1 0 0 0 0 31 29 2 0 0 0 0 32 28 1 0 0 0 0 33 31 1 0 0 0 0 12 13 1 0 0 0 0 32 33 2 0 0 0 0 4 9 1 0 0 0 0 11 7 1 0 0 0 0 26 25 1 0 0 0 0 M END > (STT-00156903) STT-00156903 > (STT-00156903) 1200 $$$$ -ISIS- 02101918162D 28 31 0 0 0 0 0 0 0 0999 V2000 -3.9333 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9333 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6125 0.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2958 -0.2542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2958 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6125 -0.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 0.2458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4958 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9333 1.9208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9500 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5958 1.5625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6125 0.8000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9125 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2333 1.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 1.9000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 2.3000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.3125 1.9458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.9333 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5208 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8500 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 1.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3125 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8500 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9958 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 5 2 0 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 11 7 1 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 14 3 1 0 0 0 0 15 20 1 0 0 0 0 16 15 2 0 0 0 0 17 9 1 0 0 0 0 18 9 1 0 0 0 0 19 9 1 0 0 0 0 20 14 1 0 0 0 0 21 5 1 0 0 0 0 22 8 1 0 0 0 0 23 10 2 0 0 0 0 24 12 2 0 0 0 0 25 21 1 0 0 0 0 26 11 1 0 0 0 0 27 28 2 0 0 0 0 28 24 1 0 0 0 0 8 4 1 0 0 0 0 25 22 1 0 0 0 0 6 11 2 0 0 0 0 27 23 1 0 0 0 0 M END > (STT-00156906) STT-00156906 > (STT-00156906) 1000 $$$$ -ISIS- 02101918162D 32 36 0 0 0 0 0 0 0 0999 V2000 -3.1958 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8333 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8333 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5125 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1125 0.8000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1708 -0.4167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1708 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5125 -0.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2125 0.0833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3708 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4958 1.3000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2125 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4958 0.6000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7958 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5125 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5333 1.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0958 1.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7958 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 1.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3958 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7208 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 0.5208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.7208 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1333 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 7 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 8 1 0 0 0 0 7 17 1 0 0 0 0 8 1 1 0 0 0 0 9 4 1 0 0 0 0 10 3 1 0 0 0 0 11 16 2 0 0 0 0 12 7 2 0 0 0 0 13 10 2 0 0 0 0 14 1 1 0 0 0 0 15 2 1 0 0 0 0 16 12 1 0 0 0 0 17 23 1 0 0 0 0 18 14 1 0 0 0 0 19 5 1 0 0 0 0 20 6 1 0 0 0 0 21 15 2 0 0 0 0 22 18 2 0 0 0 0 23 18 1 0 0 0 0 24 15 1 0 0 0 0 25 19 1 0 0 0 0 26 10 1 0 0 0 0 27 13 1 0 0 0 0 28 20 1 0 0 0 0 29 26 1 0 0 0 0 30 16 1 0 0 0 0 31 24 1 0 0 0 0 32 28 1 0 0 0 0 6 5 2 0 0 0 0 25 28 1 0 0 0 0 11 4 1 0 0 0 0 9 13 1 0 0 0 0 27 29 1 0 0 0 0 M END > (STT-00156907) STT-00156907 > (STT-00156907) 1050 $$$$ -ISIS- 02101918162D 26 29 0 0 0 0 0 0 0 0999 V2000 -3.5125 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5125 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1958 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 -0.6875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8500 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1958 -0.7667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8708 -0.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0500 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8708 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 1.0708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1708 0.3500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4708 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4708 1.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7958 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4708 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4708 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0958 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4125 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4125 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5125 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7958 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 5 2 0 0 0 0 9 7 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 12 3 1 0 0 0 0 13 17 1 0 0 0 0 14 10 2 0 0 0 0 15 10 1 0 0 0 0 16 13 2 0 0 0 0 17 12 1 0 0 0 0 18 14 1 0 0 0 0 19 15 2 0 0 0 0 20 5 1 0 0 0 0 21 8 1 0 0 0 0 22 19 1 0 0 0 0 23 20 1 0 0 0 0 24 9 1 0 0 0 0 25 14 1 0 0 0 0 26 19 1 0 0 0 0 4 8 1 0 0 0 0 21 23 1 0 0 0 0 9 6 2 0 0 0 0 22 18 2 0 0 0 0 M END > (STT-00156908) STT-00156908 > (STT-00156908) 1120 $$$$ -ISIS- 02101918162D 27 30 0 0 0 0 0 0 0 0999 V2000 -2.5208 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -0.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 -0.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2000 -0.9042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 -0.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 0.8958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 0.1958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7833 0.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4833 0.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 1.2125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.8208 1.2333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 2.3125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6000 -0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 5 2 0 0 0 0 9 13 1 0 0 0 0 10 7 1 0 0 0 0 11 9 2 0 0 0 0 12 9 1 0 0 0 0 13 17 1 0 0 0 0 14 3 1 0 0 0 0 15 11 1 0 0 0 0 16 12 2 0 0 0 0 17 20 1 0 0 0 0 18 16 1 0 0 0 0 19 17 2 0 0 0 0 20 14 1 0 0 0 0 21 11 1 0 0 0 0 22 12 1 0 0 0 0 23 5 1 0 0 0 0 24 18 1 0 0 0 0 25 8 1 0 0 0 0 26 23 1 0 0 0 0 27 10 1 0 0 0 0 8 4 1 0 0 0 0 26 25 1 0 0 0 0 6 10 2 0 0 0 0 15 18 2 0 0 0 0 M END > (STT-00156910) STT-00156910 > (STT-00156910) 1080 $$$$ -ISIS- 02101918162D 32 36 0 0 0 0 0 0 0 0999 V2000 -3.1833 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8208 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5208 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 0.7958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1458 -0.3875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1458 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7625 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5208 -0.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2208 0.0708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3458 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 1.2958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2208 -0.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 0.5958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7833 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5625 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 1.8333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0833 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7833 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 1.8333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3625 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6625 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6625 0.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9208 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2208 0.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0208 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -0.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 -0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 1 0 0 0 0 4 3 2 0 0 0 0 5 17 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 11 16 2 0 0 0 0 12 5 2 0 0 0 0 13 9 2 0 0 0 0 14 1 1 0 0 0 0 15 2 1 0 0 0 0 16 12 1 0 0 0 0 17 22 1 0 0 0 0 18 14 1 0 0 0 0 19 10 1 0 0 0 0 20 15 2 0 0 0 0 21 18 2 0 0 0 0 22 18 1 0 0 0 0 23 15 1 0 0 0 0 24 9 1 0 0 0 0 25 13 1 0 0 0 0 26 24 1 0 0 0 0 27 16 1 0 0 0 0 28 19 1 0 0 0 0 29 19 2 0 0 0 0 30 28 2 0 0 0 0 31 29 1 0 0 0 0 32 31 2 0 0 0 0 7 10 2 0 0 0 0 32 30 1 0 0 0 0 4 11 1 0 0 0 0 13 8 1 0 0 0 0 26 25 1 0 0 0 0 M END > (STT-00156911) STT-00156911 > (STT-00156911) 1020 $$$$ -ISIS- 02101918162D 34 38 0 0 0 0 0 0 0 0999 V2000 -2.8125 1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0958 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7333 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7333 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4333 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0500 -0.3667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0500 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4333 -0.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1333 0.0958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2500 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0125 0.8125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3958 1.3125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1333 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4125 0.6125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6958 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5125 1.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9958 1.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6958 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0125 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1125 1.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2708 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5708 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 1.2125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.5708 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1125 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 1 0 0 0 0 4 3 2 0 0 0 0 5 17 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 16 2 0 0 0 0 10 5 2 0 0 0 0 11 8 2 0 0 0 0 12 2 1 0 0 0 0 13 6 2 0 0 0 0 14 2 1 0 0 0 0 15 1 1 0 0 0 0 16 10 1 0 0 0 0 17 22 1 0 0 0 0 18 14 1 0 0 0 0 19 6 1 0 0 0 0 20 15 2 0 0 0 0 21 18 2 0 0 0 0 22 18 1 0 0 0 0 23 19 1 0 0 0 0 24 19 2 0 0 0 0 25 15 1 0 0 0 0 26 30 2 0 0 0 0 27 8 1 0 0 0 0 28 11 1 0 0 0 0 29 23 2 0 0 0 0 30 24 1 0 0 0 0 31 26 1 0 0 0 0 32 27 1 0 0 0 0 33 16 1 0 0 0 0 34 25 1 0 0 0 0 12 13 1 0 0 0 0 26 29 1 0 0 0 0 4 9 1 0 0 0 0 11 7 1 0 0 0 0 32 28 1 0 0 0 0 M END > (STT-00156912) STT-00156912 > (STT-00156912) 970 $$$$ -ISIS- 02101918162D 33 37 0 0 0 0 0 0 0 0999 V2000 -3.1833 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5208 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1000 0.8708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1208 -0.2667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1208 0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7625 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5208 -0.3292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2458 0.1958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3000 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4625 1.3708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2458 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 0.6958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7625 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5625 0.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5625 1.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0458 1.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7833 0.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1458 1.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3458 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6208 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6458 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1208 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 5 1 0 0 0 0 4 3 2 0 0 0 0 5 17 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 6 1 0 0 0 0 11 16 2 0 0 0 0 12 5 2 0 0 0 0 13 9 2 0 0 0 0 14 1 1 0 0 0 0 15 2 1 0 0 0 0 16 12 1 0 0 0 0 17 22 1 0 0 0 0 18 14 1 0 0 0 0 19 10 1 0 0 0 0 20 15 2 0 0 0 0 21 18 2 0 0 0 0 22 18 1 0 0 0 0 23 15 1 0 0 0 0 24 9 1 0 0 0 0 25 13 1 0 0 0 0 26 24 1 0 0 0 0 27 16 1 0 0 0 0 28 19 1 0 0 0 0 29 19 2 0 0 0 0 30 23 1 0 0 0 0 31 29 1 0 0 0 0 32 28 2 0 0 0 0 33 31 2 0 0 0 0 10 7 2 0 0 0 0 32 33 1 0 0 0 0 11 4 1 0 0 0 0 8 13 1 0 0 0 0 25 26 1 0 0 0 0 M END > (STT-00156915) STT-00156915 > (STT-00156915) 1230 $$$$ -ISIS- 02101918162D 26 27 0 0 0 0 0 0 0 0999 V2000 -2.5458 0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1625 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 -0.3667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -0.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5625 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 0.0500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6833 -0.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -0.4500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0167 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 0.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -1.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7625 1.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1458 -0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5208 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6625 1.5333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7458 -0.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2708 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 2 0 0 0 0 5 2 1 0 0 0 0 6 7 2 0 0 0 0 7 10 1 0 0 0 0 8 6 1 0 0 0 0 9 6 1 0 0 0 0 10 2 1 0 0 0 0 11 1 1 0 0 0 0 12 4 1 0 0 0 0 13 14 1 0 0 0 0 14 9 1 0 0 0 0 15 8 1 0 0 0 0 16 8 2 0 0 0 0 17 9 2 0 0 0 0 18 11 2 0 0 0 0 19 12 2 0 0 0 0 20 3 1 0 0 0 0 21 11 1 0 0 0 0 22 12 1 0 0 0 0 23 13 1 0 0 0 0 24 13 1 0 0 0 0 25 21 1 0 0 0 0 26 22 1 0 0 0 0 4 5 1 0 0 0 0 15 13 1 0 0 0 0 M END > (STT-00156930) STT-00156930 > (STT-00156930) 1003 $$$$ -ISIS- 02101918162D 19 20 0 0 0 0 0 0 0 0999 V2000 -1.1333 -0.8375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.1333 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 -1.4375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6458 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0958 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 0.9458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 1.4958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -2.6167 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3875 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -2.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 10 1 0 0 0 0 9 2 1 0 0 0 0 10 9 2 0 0 0 0 11 3 1 0 0 0 0 12 5 1 0 0 0 0 13 19 1 0 0 0 0 14 8 1 0 0 0 0 15 13 1 0 0 0 0 16 11 2 0 0 0 0 17 11 1 0 0 0 0 18 16 1 0 0 0 0 19 17 2 0 0 0 0 13 18 2 0 0 0 0 5 8 2 0 0 0 0 M END > (STT-00156935) STT-00156935 > (STT-00156935) 970 $$$$ -ISIS- 02101918162D 25 27 0 0 0 0 0 0 0 0999 V2000 -0.9708 0.9125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.9708 0.3125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.9708 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -0.8500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5875 1.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 0.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 0.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 -1.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 2.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 2.3958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 2.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9708 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 14 1 0 0 0 0 5 10 3 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 6 1 0 0 0 0 11 2 1 0 0 0 0 12 2 1 0 0 0 0 13 11 1 0 0 0 0 14 12 1 0 0 0 0 15 7 2 0 0 0 0 16 15 1 0 0 0 0 17 3 2 0 0 0 0 18 7 1 0 0 0 0 19 6 2 0 0 0 0 20 15 1 0 0 0 0 21 16 1 0 0 0 0 22 17 1 0 0 0 0 23 18 2 0 0 0 0 24 22 2 0 0 0 0 25 23 1 0 0 0 0 4 13 1 0 0 0 0 19 24 1 0 0 0 0 20 25 2 0 0 0 0 M END > (STT-00156944) STT-00156944 > (STT-00156944) 1020 $$$$ -ISIS- 02101918162D 24 25 0 0 0 0 0 0 0 0999 V2000 -0.2000 0.3708 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.2000 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -0.1875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7375 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 0.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 0.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7792 0.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -0.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 0.9125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 0.9500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 12 2 0 0 0 0 5 13 1 0 0 0 0 6 5 1 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 5 2 0 0 0 0 12 8 1 0 0 0 0 13 8 2 0 0 0 0 14 2 1 0 0 0 0 15 2 2 0 0 0 0 16 6 2 0 0 0 0 17 7 2 0 0 0 0 18 6 1 0 0 0 0 19 7 1 0 0 0 0 20 14 1 0 0 0 0 21 15 1 0 0 0 0 22 24 2 0 0 0 0 23 14 2 0 0 0 0 24 15 1 0 0 0 0 23 22 1 0 0 0 0 11 4 1 0 0 0 0 M END > (STT-00156946) STT-00156946 > (STT-00156946) 1040 $$$$ -ISIS- 02101918162D 20 21 0 0 0 0 0 0 0 0999 V2000 0.0542 0.4625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.0542 -0.0917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 0.7833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 0.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 0.4625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 -1.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 -1.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -2.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 7 3 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 8 1 0 0 0 0 8 3 2 0 0 0 0 9 2 1 0 0 0 0 10 9 1 0 0 0 0 11 10 2 0 0 0 0 12 11 1 0 0 0 0 13 3 1 0 0 0 0 14 16 1 0 0 0 0 15 8 1 0 0 0 0 16 9 2 0 0 0 0 17 14 2 0 0 0 0 18 12 1 0 0 0 0 19 13 2 0 0 0 0 20 19 1 0 0 0 0 20 15 2 0 0 0 0 17 11 1 0 0 0 0 M END > (STT-00156950) STT-00156950 > (STT-00156950) 1050 $$$$ -ISIS- 02101918162D 20 21 0 0 0 0 0 0 0 0999 V2000 -0.2125 0.2958 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.2125 -0.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 0.5958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 0.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 0.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -1.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 -0.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 8 3 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 9 1 0 0 0 0 9 3 1 0 0 0 0 10 4 1 0 0 0 0 11 10 1 0 0 0 0 12 4 2 0 0 0 0 13 3 2 0 0 0 0 14 9 2 0 0 0 0 15 10 2 0 0 0 0 16 11 1 0 0 0 0 17 12 1 0 0 0 0 18 13 1 0 0 0 0 19 18 2 0 0 0 0 20 17 2 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 M END > (STT-00156955) STT-00156955 > (STT-00156955) 1020 $$$$ -ISIS- 02101918162D 21 22 0 0 0 0 0 0 0 0999 V2000 1.4542 -0.4250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1875 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0500 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -0.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -3.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1292 -2.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1542 -3.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8792 -1.1667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 -0.8625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 0.3083 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -1.2542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7500 -0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4292 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1625 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9000 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 8 1 0 0 0 0 5 18 1 0 0 0 0 6 5 1 0 0 0 0 7 2 2 0 0 0 0 8 7 1 0 0 0 0 9 5 2 0 0 0 0 10 6 1 0 0 0 0 11 9 1 0 0 0 0 12 3 2 0 0 0 0 13 1 1 0 0 0 0 14 1 1 0 0 0 0 15 1 1 0 0 0 0 16 17 1 0 0 0 0 17 3 1 0 0 0 0 18 16 1 0 0 0 0 19 2 1 0 0 0 0 20 19 2 0 0 0 0 21 20 1 0 0 0 0 21 8 2 0 0 0 0 10 11 2 0 0 0 0 M END > (STT-00156959) STT-00156959 > (STT-00156959) 1230 > (STT-00156959) C2H2O4 $$$$ -ISIS- 02101918162D 34 37 0 0 0 0 0 0 0 0999 V2000 -0.8958 0.1208 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4125 0.7208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.8125 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 -0.6375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.5333 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -0.6375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 2.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 -1.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4333 -0.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 2.0833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 2.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1833 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7708 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 2.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 2.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 12 1 0 0 0 0 6 1 1 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 5 1 0 0 0 0 10 4 1 0 0 0 0 11 2 1 0 0 0 0 12 7 1 0 0 0 0 13 6 1 0 0 0 0 14 3 2 0 0 0 0 15 4 2 0 0 0 0 16 9 2 0 0 0 0 17 19 1 0 0 0 0 18 10 1 0 0 0 0 19 8 2 0 0 0 0 20 11 1 0 0 0 0 21 8 1 0 0 0 0 22 9 1 0 0 0 0 23 28 1 0 0 0 0 24 18 2 0 0 0 0 25 18 1 0 0 0 0 26 20 1 0 0 0 0 27 20 2 0 0 0 0 28 21 2 0 0 0 0 29 24 1 0 0 0 0 30 26 2 0 0 0 0 31 27 1 0 0 0 0 32 25 2 0 0 0 0 33 32 1 0 0 0 0 34 31 2 0 0 0 0 5 13 1 0 0 0 0 33 29 2 0 0 0 0 34 30 1 0 0 0 0 23 17 2 0 0 0 0 M END > (STT-00156979) STT-00156979 > (STT-00156979) 1520 $$$$ -ISIS- 02101918162D 31 32 0 0 0 0 0 0 0 0999 V2000 -2.4708 2.5458 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -2.3125 2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 1.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0292 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 2.7083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.9958 2.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 3.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 1.2000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 0.8458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 0.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6125 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7667 1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0125 0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 1.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8125 3.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 2.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 1.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2125 3.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 2 0 0 0 0 4 11 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 2 1 0 0 0 0 10 3 1 0 0 0 0 11 15 1 0 0 0 0 12 2 2 0 0 0 0 13 5 1 0 0 0 0 14 5 2 0 0 0 0 15 9 2 0 0 0 0 16 10 2 0 0 0 0 17 12 1 0 0 0 0 18 13 1 0 0 0 0 19 17 2 0 0 0 0 20 18 1 0 0 0 0 21 6 1 0 0 0 0 22 6 1 0 0 0 0 23 10 1 0 0 0 0 24 12 1 0 0 0 0 25 20 2 0 0 0 0 26 20 1 0 0 0 0 27 22 1 0 0 0 0 28 21 1 0 0 0 0 29 25 1 0 0 0 0 30 26 2 0 0 0 0 31 30 1 0 0 0 0 15 19 1 0 0 0 0 31 29 2 0 0 0 0 M END > (STT-00156989) STT-00156989 > (STT-00156989) 960 $$$$ -ISIS- 02101918162D 25 27 0 0 0 0 0 0 0 0999 V2000 -0.9500 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 0.2833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.1500 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 0.8208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 0.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -0.2167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5708 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7125 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 1.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 2.0458 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0500 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0125 2.1833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1125 2.4208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2333 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4667 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6125 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 3 2 0 0 0 0 7 6 1 0 0 0 0 8 1 2 0 0 0 0 9 7 1 0 0 0 0 10 9 2 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 2 1 0 0 0 0 14 12 1 0 0 0 0 15 12 1 0 0 0 0 16 5 1 0 0 0 0 17 9 1 0 0 0 0 18 10 1 0 0 0 0 19 13 2 0 0 0 0 20 13 1 0 0 0 0 21 17 2 0 0 0 0 22 21 1 0 0 0 0 23 19 1 0 0 0 0 24 20 2 0 0 0 0 25 24 1 0 0 0 0 4 5 2 0 0 0 0 23 25 2 0 0 0 0 18 22 2 0 0 0 0 M END > (STT-00156991) STT-00156991 > (STT-00156991) 1030 $$$$ -ISIS- 02101918162D 19 20 0 0 0 0 0 0 0 0999 V2000 -0.6500 -0.1292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.5208 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 -0.1167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.5125 1.3625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6500 0.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 2.1333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 0.9333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2833 1.8125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -0.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8458 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5292 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 -0.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 5 1 0 0 0 0 9 5 1 0 0 0 0 10 5 1 0 0 0 0 11 16 1 0 0 0 0 12 4 1 0 0 0 0 13 4 1 0 0 0 0 14 3 1 0 0 0 0 15 2 1 0 0 0 0 16 13 1 0 0 0 0 17 12 1 0 0 0 0 18 19 1 0 0 0 0 19 15 2 0 0 0 0 17 11 1 0 0 0 0 18 14 2 0 0 0 0 M END > (STT-00157032) STT-00157032 > (STT-00157032) 1100 $$$$ -ISIS- 02101918162D 23 24 0 0 0 0 0 0 0 0999 V2000 0.1167 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9167 0.5208 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.0458 1.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 1.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 0.4000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -0.2792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5167 2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7167 0.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 1.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 2.0833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5833 1.4833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2625 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 3.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 0.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1792 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 3.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -1.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 -1.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 6 1 0 0 0 0 10 2 2 0 0 0 0 11 2 2 0 0 0 0 12 8 2 0 0 0 0 13 9 2 0 0 0 0 14 4 1 0 0 0 0 15 8 1 0 0 0 0 16 9 1 0 0 0 0 17 7 1 0 0 0 0 18 7 1 0 0 0 0 19 16 1 0 0 0 0 20 15 1 0 0 0 0 21 17 1 0 0 0 0 22 18 1 0 0 0 0 23 22 1 0 0 0 0 6 4 2 0 0 0 0 21 23 1 0 0 0 0 M END > (STT-00157058) STT-00157058 > (STT-00157058) 970 $$$$ -ISIS- 02101918162D 19 20 0 0 0 0 0 0 0 0999 V2000 0.3000 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3833 0.1458 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8208 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 0.4208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 2.8625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -0.6167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 2.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -1.2000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7792 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 2.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 7 3 0 0 0 0 9 6 1 0 0 0 0 10 9 2 0 0 0 0 11 4 1 0 0 0 0 12 5 1 0 0 0 0 13 15 1 0 0 0 0 14 9 1 0 0 0 0 15 16 1 0 0 0 0 16 14 1 0 0 0 0 17 11 1 0 0 0 0 18 12 1 0 0 0 0 19 18 1 0 0 0 0 4 5 2 0 0 0 0 17 19 1 0 0 0 0 M END > (STT-00157068) STT-00157068 > (STT-00157068) 3000 $$$$ -ISIS- 02101918162D 19 20 0 0 0 0 0 0 0 0999 V2000 -0.8833 0.0500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.1458 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 1.3333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8833 -0.7042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.6208 0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 0.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 1.9958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 1.7125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 1.3333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 -0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 -2.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 1 0 0 0 0 9 4 1 0 0 0 0 10 4 1 0 0 0 0 11 3 2 0 0 0 0 12 2 2 0 0 0 0 13 5 1 0 0 0 0 14 5 1 0 0 0 0 15 18 2 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 18 12 1 0 0 0 0 19 17 1 0 0 0 0 19 16 1 0 0 0 0 15 11 1 0 0 0 0 M END > (STT-00157090) STT-00157090 > (STT-00157090) 1010 $$$$ -ISIS- 02101918162D 20 21 0 0 0 0 0 0 0 0999 V2000 -0.8833 0.8125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.1458 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 0.0500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.1458 2.0958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6208 0.8125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 1.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 2.0958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 2.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 2.4708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2458 -1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2167 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 -1.4042 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8833 -2.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 5 1 0 0 0 0 12 5 1 0 0 0 0 13 3 2 0 0 0 0 14 8 1 0 0 0 0 15 9 1 0 0 0 0 16 2 2 0 0 0 0 17 15 1 0 0 0 0 18 17 1 0 0 0 0 19 20 2 0 0 0 0 20 16 1 0 0 0 0 14 17 1 0 0 0 0 13 19 1 0 0 0 0 M END > (STT-00157091) STT-00157091 > (STT-00157091) 1320 $$$$ -ISIS- 02101918162D 21 22 0 0 0 0 0 0 0 0999 V2000 -1.1333 0.7125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.4958 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 0.7125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.1667 2.9708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1333 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 0.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 -0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 3.6333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 3.3708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 2.3125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 3.7125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7500 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 0.7125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8667 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 13 1 0 0 0 0 10 3 1 0 0 0 0 11 3 1 0 0 0 0 12 5 1 0 0 0 0 13 12 2 0 0 0 0 14 4 1 0 0 0 0 15 4 1 0 0 0 0 16 4 1 0 0 0 0 17 9 1 0 0 0 0 18 10 1 0 0 0 0 19 11 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 9 2 2 0 0 0 0 18 20 1 0 0 0 0 M END > (STT-00157118) STT-00157118 > (STT-00157118) 1480 $$$$ -ISIS- 02101918162D 25 26 0 0 0 0 0 0 0 0999 V2000 -1.2958 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6333 0.0625 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.2958 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 0.2000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6708 1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 0.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1708 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -0.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 -0.6000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 1.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5333 1.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 2.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5333 0.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2958 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 2.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 3 1 0 0 0 0 8 2 1 0 0 0 0 9 6 1 0 0 0 0 10 2 2 0 0 0 0 11 2 2 0 0 0 0 12 7 2 0 0 0 0 13 9 2 0 0 0 0 14 8 1 0 0 0 0 15 4 1 0 0 0 0 16 7 1 0 0 0 0 17 9 1 0 0 0 0 18 21 2 0 0 0 0 19 14 1 0 0 0 0 20 14 2 0 0 0 0 21 20 1 0 0 0 0 22 19 2 0 0 0 0 23 18 1 0 0 0 0 24 17 1 0 0 0 0 25 16 1 0 0 0 0 6 4 2 0 0 0 0 18 22 1 0 0 0 0 M END > (STT-00157119) STT-00157119 > (STT-00157119) 1210 $$$$ -ISIS- 02101918162D 19 20 0 0 0 0 0 0 0 0999 V2000 -1.1833 0.6958 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.5000 2.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 2.9958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1625 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 0.6708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.5000 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9458 0.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 3.6708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 3.3958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 2.3125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1625 3.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 1.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8167 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 4 2 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 11 1 0 0 0 0 10 4 1 0 0 0 0 11 10 2 0 0 0 0 12 3 1 0 0 0 0 13 3 1 0 0 0 0 14 3 1 0 0 0 0 15 9 1 0 0 0 0 16 5 1 0 0 0 0 17 5 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 18 19 1 0 0 0 0 2 9 2 0 0 0 0 M END > (STT-00157121) STT-00157121 > (STT-00157121) 1100 $$$$ -ISIS- 02101918162D 20 21 0 0 0 0 0 0 0 0999 V2000 -1.1500 0.7125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.5125 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 2.9708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1500 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 0.7125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.5125 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 0.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 2.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7958 2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 3.6333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 3.3708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 2.3125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 3.7125 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7292 0.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 0.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 4 2 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 11 1 0 0 0 0 10 4 1 0 0 0 0 11 10 2 0 0 0 0 12 3 1 0 0 0 0 13 3 1 0 0 0 0 14 3 1 0 0 0 0 15 9 1 0 0 0 0 16 5 1 0 0 0 0 17 5 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 19 1 0 0 0 0 20 18 1 0 0 0 0 2 9 2 0 0 0 0 M END > (STT-00157124) STT-00157124 > (STT-00157124) 1070 $$$$ -ISIS- 02101918162D 26 27 0 0 0 0 0 0 0 0999 V2000 1.5042 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 2.1208 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.9042 -1.9792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7042 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 0.7625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2333 2.8000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.2333 1.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5042 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 2.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 2.8000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5875 -1.5792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -2.6542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -2.3792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 1.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7042 0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -1.9792 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 1 1 0 0 0 0 4 5 1 0 0 0 0 5 10 1 0 0 0 0 6 4 1 0 0 0 0 7 20 1 0 0 0 0 8 1 2 0 0 0 0 9 1 1 0 0 0 0 10 14 1 0 0 0 0 11 2 1 0 0 0 0 12 2 2 0 0 0 0 13 6 1 0 0 0 0 14 9 2 0 0 0 0 15 5 2 0 0 0 0 16 6 2 0 0 0 0 17 3 1 0 0 0 0 18 3 1 0 0 0 0 19 3 1 0 0 0 0 20 23 2 0 0 0 0 21 22 1 0 0 0 0 22 13 2 0 0 0 0 23 13 1 0 0 0 0 24 8 1 0 0 0 0 25 14 1 0 0 0 0 26 8 1 0 0 0 0 24 25 2 0 0 0 0 21 7 2 0 0 0 0 M CHG 2 2 1 11 -1 M END > (STT-00157152) STT-00157152 > (STT-00157152) 1700 $$$$ -ISIS- 02101918162D 23 24 0 0 0 0 0 0 0 0999 V2000 -0.2833 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 0.9833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9458 -0.2792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6625 0.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5375 -0.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 1.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0458 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7167 1.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9542 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 2.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3792 0.7000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.5792 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 2.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 3.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 1.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2625 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 10 7 2 0 0 0 0 11 8 1 0 0 0 0 12 8 2 0 0 0 0 13 7 1 0 0 0 0 14 5 1 0 0 0 0 15 16 1 0 0 0 0 16 11 1 0 0 0 0 17 9 2 0 0 0 0 18 9 1 0 0 0 0 19 13 1 0 0 0 0 20 19 1 0 0 0 0 21 18 2 0 0 0 0 22 17 1 0 0 0 0 23 21 1 0 0 0 0 5 3 2 0 0 0 0 23 22 2 0 0 0 0 M END > (STT-00157157) STT-00157157 > (STT-00157157) 1140 $$$$ -ISIS- 02101918162D 23 23 0 0 0 0 0 0 0 0999 V2000 -1.9708 -1.4167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.3208 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 0.8000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9708 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3208 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 -2.1542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7000 -1.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2208 -1.4167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 1.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 1.1833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 0.1625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 1.4625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 1.5458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -0.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 0.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1208 -0.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 16 1 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 1 1 0 0 0 0 10 19 1 0 0 0 0 11 4 1 0 0 0 0 12 10 2 0 0 0 0 13 3 1 0 0 0 0 14 3 1 0 0 0 0 15 3 1 0 0 0 0 16 11 2 0 0 0 0 17 6 1 0 0 0 0 18 10 1 0 0 0 0 19 21 1 0 0 0 0 20 9 1 0 0 0 0 21 23 1 0 0 0 0 22 20 1 0 0 0 0 23 22 1 0 0 0 0 6 2 2 0 0 0 0 M END > (STT-00157171) STT-00157171 > (STT-00157171) 1050 $$$$ -ISIS- 02101918162D 17 18 0 0 0 0 0 0 0 0999 V2000 -1.0500 1.0000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.0500 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 0.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 -0.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 -0.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1125 -1.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 -1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1667 1.7208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 2.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 2.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 2.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 3.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 9 1 0 0 0 0 7 6 1 0 0 0 0 8 2 2 0 0 0 0 9 3 1 0 0 0 0 10 6 2 0 0 0 0 11 7 1 0 0 0 0 12 10 1 0 0 0 0 13 8 1 0 0 0 0 14 2 1 0 0 0 0 15 8 1 0 0 0 0 16 14 2 0 0 0 0 17 16 1 0 0 0 0 15 17 2 0 0 0 0 12 11 2 0 0 0 0 M END > (STT-00157201) STT-00157201 > (STT-00157201) 1120 $$$$ -ISIS- 02101918162D 22 24 0 0 0 0 0 0 0 0999 V2000 -2.8833 1.5625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2833 1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 0.5458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7208 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 0.8833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4625 1.9000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0375 -1.5167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 0.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 -2.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2625 2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0375 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 2.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 2.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 3 2 0 0 0 0 5 6 2 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 8 5 1 0 0 0 0 9 2 1 0 0 0 0 10 8 2 0 0 0 0 11 9 1 0 0 0 0 12 1 1 0 0 0 0 13 4 1 0 0 0 0 14 1 2 0 0 0 0 15 7 2 0 0 0 0 16 2 2 0 0 0 0 17 3 1 0 0 0 0 18 9 2 0 0 0 0 19 20 1 0 0 0 0 20 17 2 0 0 0 0 21 16 1 0 0 0 0 22 21 2 0 0 0 0 18 22 1 0 0 0 0 7 4 1 0 0 0 0 13 19 2 0 0 0 0 M CHG 2 1 1 12 -1 M END > (STT-00157211) STT-00157211 > (STT-00157211) 2560 $$$$ -ISIS- 02101918162D 22 22 0 0 0 0 0 0 0 0999 V2000 -0.5833 -0.8375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.2000 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 -0.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5833 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 -1.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -0.8375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6167 1.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -0.7167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 -0.4167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 0.5458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 0.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4542 -0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -0.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5833 1.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5167 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 1 1 0 0 0 0 8 16 1 0 0 0 0 9 8 2 0 0 0 0 10 3 1 0 0 0 0 11 3 1 0 0 0 0 12 3 1 0 0 0 0 13 2 2 0 0 0 0 14 8 1 0 0 0 0 15 4 2 0 0 0 0 16 18 1 0 0 0 0 17 7 1 0 0 0 0 18 21 1 0 0 0 0 19 17 1 0 0 0 0 20 22 2 0 0 0 0 21 19 1 0 0 0 0 22 15 1 0 0 0 0 13 20 1 0 0 0 0 M END > (STT-00157226) STT-00157226 > (STT-00157226) 1000 $$$$ -ISIS- 02101918162D 27 29 0 0 0 0 0 0 0 0999 V2000 -1.9500 -1.9167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.3125 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 -1.9167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.6958 0.2625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9500 -1.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6708 -1.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -2.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5708 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5708 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3125 -0.3792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 0.8833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 0.6208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 0.9625 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -1.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -2.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -1.9167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3042 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -0.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 13 1 0 0 0 0 10 3 1 0 0 0 0 11 3 1 0 0 0 0 12 5 1 0 0 0 0 13 12 2 0 0 0 0 14 4 1 0 0 0 0 15 4 1 0 0 0 0 16 4 1 0 0 0 0 17 9 1 0 0 0 0 18 21 1 0 0 0 0 19 11 1 0 0 0 0 20 10 1 0 0 0 0 21 19 1 0 0 0 0 22 18 1 0 0 0 0 23 22 1 0 0 0 0 24 22 2 0 0 0 0 25 23 2 0 0 0 0 26 24 1 0 0 0 0 27 26 2 0 0 0 0 9 2 2 0 0 0 0 21 20 1 0 0 0 0 27 25 1 0 0 0 0 M END > (STT-00157239) STT-00157239 > (STT-00157239) 1010 $$$$ -ISIS- 02101918162D 27 29 0 0 0 0 0 0 0 0999 V2000 -1.9333 -1.8292 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.2125 -1.8042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.7125 0.3333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9333 -1.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -1.8042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.3333 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9292 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 -1.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9125 -2.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 0.6958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3333 -0.3042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 0.9500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -3.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5708 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9875 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -3.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 6 1 0 0 0 0 4 1 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 7 5 1 0 0 0 0 8 4 2 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 2 1 0 0 0 0 12 2 1 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 15 7 1 0 0 0 0 16 3 1 0 0 0 0 17 3 1 0 0 0 0 18 3 1 0 0 0 0 19 15 1 0 0 0 0 20 4 1 0 0 0 0 21 22 1 0 0 0 0 22 20 2 0 0 0 0 23 7 2 0 0 0 0 24 15 2 0 0 0 0 25 19 1 0 0 0 0 26 23 1 0 0 0 0 27 26 2 0 0 0 0 14 5 1 0 0 0 0 6 21 2 0 0 0 0 24 27 1 0 0 0 0 M END > (STT-00157241) STT-00157241 > (STT-00157241) 1240 $$$$ -ISIS- 02101918162D 22 23 0 0 0 0 0 0 0 0999 V2000 -0.8125 -0.7542 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.3958 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9958 -0.0917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8333 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -1.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -0.7792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -0.7375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2042 -1.8375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.5708 -0.4375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3125 0.4833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 -2.9542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3958 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8875 -2.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2042 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 -2.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 1.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 1 1 0 0 0 0 8 15 1 0 0 0 0 9 3 1 0 0 0 0 10 3 1 0 0 0 0 11 3 1 0 0 0 0 12 20 1 0 0 0 0 13 7 1 0 0 0 0 14 2 2 0 0 0 0 15 13 1 0 0 0 0 16 4 2 0 0 0 0 17 8 1 0 0 0 0 18 8 1 0 0 0 0 19 17 1 0 0 0 0 20 18 1 0 0 0 0 21 22 2 0 0 0 0 22 16 1 0 0 0 0 21 14 1 0 0 0 0 19 12 1 0 0 0 0 M END > (STT-00157243) STT-00157243 > (STT-00157243) 3000 $$$$ -ISIS- 02101918162D 31 33 0 0 0 0 0 0 0 0999 V2000 1.7167 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 1.1333 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.1292 1.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 1.9708 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 2.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 0.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.6792 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -0.0042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.1000 2.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5375 0.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2542 1.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3375 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4167 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 1.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 3.4333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 2.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0542 2.2333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 2.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6542 -1.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8542 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -1.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 2.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 2.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 17 1 0 0 0 0 10 6 1 0 0 0 0 11 2 2 0 0 0 0 12 2 2 0 0 0 0 13 9 1 0 0 0 0 14 7 1 0 0 0 0 15 7 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 8 2 0 0 0 0 19 10 2 0 0 0 0 20 13 1 0 0 0 0 21 4 1 0 0 0 0 22 8 1 0 0 0 0 23 10 1 0 0 0 0 24 20 1 0 0 0 0 25 13 2 0 0 0 0 26 20 2 0 0 0 0 27 23 1 0 0 0 0 28 22 1 0 0 0 0 29 24 1 0 0 0 0 30 25 1 0 0 0 0 31 30 2 0 0 0 0 6 4 2 0 0 0 0 16 9 1 0 0 0 0 31 26 1 0 0 0 0 M END > (STT-00157265) STT-00157265 > (STT-00157265) 1070 $$$$ -ISIS- 02101918162D 25 26 0 0 0 0 0 0 0 0999 V2000 -1.1958 -0.9042 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.5333 -0.9042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 -1.4667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3333 1.1500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1958 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7500 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -1.5667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 -0.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 -2.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 -0.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9125 1.5125 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6958 0.5958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 1.7333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 -2.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 -2.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 0.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -3.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 7 1 0 0 0 0 5 1 1 0 0 0 0 6 3 1 0 0 0 0 7 10 2 0 0 0 0 8 1 2 0 0 0 0 9 1 2 0 0 0 0 10 5 1 0 0 0 0 11 3 1 0 0 0 0 12 6 2 0 0 0 0 13 4 1 0 0 0 0 14 4 1 0 0 0 0 15 4 1 0 0 0 0 16 6 1 0 0 0 0 17 11 1 0 0 0 0 18 5 2 0 0 0 0 19 20 2 0 0 0 0 20 18 1 0 0 0 0 21 17 2 0 0 0 0 22 17 1 0 0 0 0 23 22 2 0 0 0 0 24 21 1 0 0 0 0 25 23 1 0 0 0 0 19 7 1 0 0 0 0 25 24 2 0 0 0 0 M END > (STT-00157275) STT-00157275 > (STT-00157275) 1230 $$$$ -ISIS- 02101918162D 28 29 0 0 0 0 0 0 0 0999 V2000 -2.7458 -0.9000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.0375 1.3833 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -2.7458 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4208 -0.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 1.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 -1.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -0.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 1.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3208 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9208 -0.2167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 0.7000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 0.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0167 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6000 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0208 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3375 0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6833 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4375 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 0.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7208 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 2 2 0 0 0 0 6 1 2 0 0 0 0 7 2 2 0 0 0 0 8 1 2 0 0 0 0 9 1 1 0 0 0 0 10 17 1 0 0 0 0 11 4 2 0 0 0 0 12 3 1 0 0 0 0 13 12 1 0 0 0 0 14 11 1 0 0 0 0 15 4 1 0 0 0 0 16 3 2 0 0 0 0 17 22 1 0 0 0 0 18 9 1 0 0 0 0 19 12 2 0 0 0 0 20 11 1 0 0 0 0 21 18 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 21 1 0 0 0 0 25 15 2 0 0 0 0 26 16 1 0 0 0 0 27 26 2 0 0 0 0 28 25 1 0 0 0 0 27 19 1 0 0 0 0 20 28 2 0 0 0 0 M END > (STT-00157285) STT-00157285 > (STT-00157285) 970 $$$$ -ISIS- 02101918162D 21 22 0 0 0 0 0 0 0 0999 V2000 5.2667 -3.0167 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.0292 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4417 -4.4417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4417 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0917 -3.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -2.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2667 -3.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -5.0917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -5.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -4.5792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -3.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7875 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5750 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5750 -3.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9875 -2.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 3 1 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 12 2 2 0 0 0 0 13 11 1 0 0 0 0 14 4 2 0 0 0 0 15 13 2 0 0 0 0 16 13 1 0 0 0 0 17 18 2 0 0 0 0 18 14 1 0 0 0 0 19 16 2 0 0 0 0 20 15 1 0 0 0 0 21 19 1 0 0 0 0 17 12 1 0 0 0 0 21 20 2 0 0 0 0 M END > (STT-00157289) STT-00157289 > (STT-00157289) 1190 $$$$ -ISIS- 02101918162D 22 23 0 0 0 0 0 0 0 0999 V2000 -2.3000 1.0458 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.8458 1.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 1.6000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3000 1.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 1.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6458 0.6208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 0.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1000 2.0833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 1.1208 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 1.3458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8625 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4833 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7833 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6458 0.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4208 0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3458 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7833 2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4375 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 1 1 0 0 0 0 8 3 1 0 0 0 0 9 3 1 0 0 0 0 10 3 1 0 0 0 0 11 2 1 0 0 0 0 12 7 1 0 0 0 0 13 4 1 0 0 0 0 14 15 1 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 17 14 2 0 0 0 0 18 19 1 0 0 0 0 19 13 2 0 0 0 0 20 16 2 0 0 0 0 21 17 1 0 0 0 0 22 21 2 0 0 0 0 11 18 2 0 0 0 0 20 22 1 0 0 0 0 M END > (STT-00157291) STT-00157291 > (STT-00157291) 1580 $$$$ -ISIS- 02101918162D 18 18 0 0 0 0 0 0 0 0999 V2000 -1.8708 -1.3667 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -0.6500 0.7708 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8958 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -1.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2708 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 -1.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 -2.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 1.1500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 0.1500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 1.3958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5125 -0.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5125 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1125 -0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2500 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 3 2 0 0 0 0 7 1 2 0 0 0 0 8 1 2 0 0 0 0 9 2 1 0 0 0 0 10 2 1 0 0 0 0 11 2 1 0 0 0 0 12 4 1 0 0 0 0 13 3 1 0 0 0 0 14 15 1 0 0 0 0 15 13 2 0 0 0 0 16 12 1 0 0 0 0 17 16 1 0 0 0 0 18 16 1 0 0 0 0 14 5 2 0 0 0 0 M END > (STT-00157296) STT-00157296 > (STT-00157296) 1150 $$$$ -ISIS- 02101918162D 24 26 0 0 0 0 0 0 0 0999 V2000 -1.5625 0.1500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.5625 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8833 0.1500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.4792 0.1500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.5625 -0.5500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2458 0.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 -0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1375 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 0.8333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1542 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 -1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 1.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 2.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 11 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 4 1 0 0 0 0 8 3 1 0 0 0 0 9 3 1 0 0 0 0 10 2 1 0 0 0 0 11 9 1 0 0 0 0 12 8 1 0 0 0 0 13 7 1 0 0 0 0 14 10 1 0 0 0 0 15 2 2 0 0 0 0 16 13 1 0 0 0 0 17 7 2 0 0 0 0 18 10 2 0 0 0 0 19 13 2 0 0 0 0 20 16 1 0 0 0 0 21 15 1 0 0 0 0 22 17 1 0 0 0 0 23 22 2 0 0 0 0 24 21 2 0 0 0 0 12 4 1 0 0 0 0 24 18 1 0 0 0 0 19 23 1 0 0 0 0 M END > (STT-00157301) STT-00157301 > (STT-00157301) 1270 $$$$ -ISIS- 02101918162D 18 18 0 0 0 0 0 0 0 0999 V2000 -2.3208 -0.4875 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -2.8625 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 0.1500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3208 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -0.4875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9625 -0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3208 -1.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9458 0.4500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 -0.4875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.9458 -0.1542 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 -1.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 0.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 -1.0292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3208 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 3 1 0 0 0 0 9 3 1 0 0 0 0 10 3 1 0 0 0 0 11 5 1 0 0 0 0 12 2 2 0 0 0 0 13 4 2 0 0 0 0 14 11 1 0 0 0 0 15 18 2 0 0 0 0 16 14 1 0 0 0 0 17 14 1 0 0 0 0 18 13 1 0 0 0 0 12 15 1 0 0 0 0 M END > (STT-00157346) STT-00157346 > (STT-00157346) 1160 $$$$ -ISIS- 02101918162D 29 31 0 0 0 0 0 0 0 0999 V2000 -0.8125 -0.8500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -2.8208 -2.0500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3833 -0.5042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1458 -2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -1.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 -0.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 2.1500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 3.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8458 -1.3875 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 -2.7292 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4833 -2.0667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3833 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9208 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9083 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4208 3.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9833 3.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 2.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 3.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 8 1 0 0 0 0 6 1 2 0 0 0 0 7 1 2 0 0 0 0 8 4 2 0 0 0 0 9 10 1 0 0 0 0 10 16 1 0 0 0 0 11 9 1 0 0 0 0 12 2 1 0 0 0 0 13 2 1 0 0 0 0 14 2 1 0 0 0 0 15 3 1 0 0 0 0 16 19 1 0 0 0 0 17 15 2 0 0 0 0 18 15 1 0 0 0 0 19 18 2 0 0 0 0 20 17 1 0 0 0 0 21 11 1 0 0 0 0 22 4 1 0 0 0 0 23 24 1 0 0 0 0 24 22 2 0 0 0 0 25 9 2 0 0 0 0 26 11 2 0 0 0 0 27 21 1 0 0 0 0 28 25 1 0 0 0 0 29 28 2 0 0 0 0 5 23 2 0 0 0 0 16 20 2 0 0 0 0 26 29 1 0 0 0 0 M END > (STT-00157348) STT-00157348 > (STT-00157348) 1150 $$$$ -ISIS- 02101918162D 10 11 0 0 0 0 0 0 0 0999 V2000 -2.0708 1.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 1.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 0.1708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 1.1958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 0.2958 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 1.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1125 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 2.2333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 5 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 8 2 0 0 0 0 10 3 2 0 0 0 0 9 7 1 0 0 0 0 4 6 2 0 0 0 0 M END > (STT-00157362) STT-00157362 > (STT-00157362) 2000 $$$$ -ISIS- 02101918162D 17 17 0 0 0 0 0 0 0 0999 V2000 -2.3500 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9708 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1625 0.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1625 0.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7625 0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3333 1.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2708 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2333 2.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8833 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 1.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9958 -1.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 -0.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 2.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1125 -2.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 6 1 1 0 0 0 0 7 3 1 0 0 0 0 8 6 2 0 0 0 0 9 7 2 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 2 1 0 0 0 0 13 15 1 0 0 0 0 14 11 1 0 0 0 0 15 14 1 0 0 0 0 16 10 1 0 0 0 0 17 13 1 0 0 0 0 4 3 1 0 0 0 0 M END > (STT-00157363) STT-00157363 > (STT-00157363) 1000 $$$$ -ISIS- 02101918162D 29 33 0 0 0 0 0 0 0 0999 V2000 -0.2958 1.4500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -2.7958 1.8125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.9708 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 1.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 1.9583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5667 0.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2042 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 1.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4333 1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3875 0.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8292 -0.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2958 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4125 2.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 2.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 0.6958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 0.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6667 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3875 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6958 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9958 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 14 2 0 0 0 0 4 13 2 0 0 0 0 5 6 2 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 1 1 0 0 0 0 9 7 1 0 0 0 0 10 9 2 0 0 0 0 11 1 2 0 0 0 0 12 1 2 0 0 0 0 13 21 1 0 0 0 0 14 16 1 0 0 0 0 15 20 2 0 0 0 0 16 8 1 0 0 0 0 17 10 1 0 0 0 0 18 15 1 0 0 0 0 19 7 2 0 0 0 0 20 19 1 0 0 0 0 21 16 2 0 0 0 0 22 2 1 0 0 0 0 23 5 1 0 0 0 0 24 6 1 0 0 0 0 25 17 1 0 0 0 0 26 18 1 0 0 0 0 27 22 1 0 0 0 0 28 24 2 0 0 0 0 29 28 1 0 0 0 0 10 15 1 0 0 0 0 4 3 1 0 0 0 0 5 2 1 0 0 0 0 26 25 1 0 0 0 0 23 29 2 0 0 0 0 M END > (STT-00157497) STT-00157497 > (STT-00157497) 1300 $$$$ -ISIS- 02101918162D 23 25 0 0 0 0 0 0 0 0999 V2000 0.9042 -1.6000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 -1.0542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6000 -0.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0708 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9375 -2.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -1.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4000 -0.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1667 -0.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -1.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -1.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3833 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 -0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2042 -2.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0708 -0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 14 2 0 0 0 0 9 6 2 0 0 0 0 10 7 1 0 0 0 0 11 7 2 0 0 0 0 12 4 1 0 0 0 0 13 10 2 0 0 0 0 14 11 1 0 0 0 0 15 8 1 0 0 0 0 16 6 1 0 0 0 0 17 15 1 0 0 0 0 18 15 2 0 0 0 0 19 16 1 0 0 0 0 20 19 1 0 0 0 0 21 18 1 0 0 0 0 22 17 2 0 0 0 0 23 21 2 0 0 0 0 4 5 2 0 0 0 0 8 13 1 0 0 0 0 23 22 1 0 0 0 0 M END > (STT-00157555) STT-00157555 > (STT-00157555) 1550 $$$$ -ISIS- 02101918162D 27 28 0 0 0 0 0 0 0 0999 V2000 -0.2333 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4042 -1.3500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7500 -1.9042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3875 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -1.5875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -0.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0333 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 -2.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 -1.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6292 -0.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -2.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3958 -0.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -0.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3125 0.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -1.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0958 -2.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6125 -2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0667 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 1.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 -3.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 4 2 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 10 2 0 0 0 0 10 3 1 0 0 0 0 11 2 1 0 0 0 0 12 5 1 0 0 0 0 13 8 1 0 0 0 0 14 11 2 0 0 0 0 15 12 2 0 0 0 0 16 13 2 0 0 0 0 17 9 1 0 0 0 0 18 6 1 0 0 0 0 19 11 1 0 0 0 0 20 12 1 0 0 0 0 21 13 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 24 19 1 0 0 0 0 25 24 1 0 0 0 0 26 23 1 0 0 0 0 27 22 1 0 0 0 0 8 6 2 0 0 0 0 5 9 1 0 0 0 0 M END > (STT-00157557) STT-00157557 > (STT-00157557) 1400 $$$$ -ISIS- 02101918162D 25 27 0 0 0 0 0 0 0 0999 V2000 -1.5458 -1.5500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -2.0625 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 -1.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2625 -2.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 1.0708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5625 -1.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 1.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 -0.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0458 0.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5625 -0.9667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 0.4958 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 -0.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5625 -2.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0208 2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4792 1.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 -2.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 7 1 0 0 0 0 7 11 1 0 0 0 0 8 2 2 0 0 0 0 9 6 2 0 0 0 0 10 3 1 0 0 0 0 11 18 2 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 14 2 1 0 0 0 0 15 10 1 0 0 0 0 16 10 2 0 0 0 0 17 15 2 0 0 0 0 18 16 1 0 0 0 0 19 6 1 0 0 0 0 20 8 1 0 0 0 0 21 9 1 0 0 0 0 22 14 2 0 0 0 0 23 19 2 0 0 0 0 24 23 1 0 0 0 0 25 22 1 0 0 0 0 17 11 1 0 0 0 0 20 25 2 0 0 0 0 21 24 2 0 0 0 0 M END > (STT-00157602) STT-00157602 > (STT-00157602) 1000 $$$$ -ISIS- 02101918162D 23 24 0 0 0 0 0 0 0 0999 V2000 -1.1958 -0.8500 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 -1.1958 -1.4292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1708 0.8958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6958 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 -0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 -0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -3.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 1.1708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 0.3708 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4708 1.3958 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 -2.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 0.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 -1.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 0.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6958 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3292 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 4 1 0 0 0 0 8 11 2 0 0 0 0 9 1 2 0 0 0 0 10 1 2 0 0 0 0 11 6 1 0 0 0 0 12 7 2 0 0 0 0 13 3 1 0 0 0 0 14 3 1 0 0 0 0 15 3 1 0 0 0 0 16 7 1 0 0 0 0 17 4 2 0 0 0 0 18 6 2 0 0 0 0 19 5 2 0 0 0 0 20 21 2 0 0 0 0 21 18 1 0 0 0 0 22 23 2 0 0 0 0 23 19 1 0 0 0 0 20 8 1 0 0 0 0 22 17 1 0 0 0 0 M END > (STT-00157603) STT-00157603 > (STT-00157603) 1000 $$$$ -ISIS- 02101918162D 14 16 0 0 0 0 0 0 0 0999 V2000 -0.1500 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -0.8375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 0.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7125 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7125 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -0.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8333 -0.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3958 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3958 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 7 2 0 0 0 0 9 6 2 0 0 0 0 10 1 2 0 0 0 0 11 8 1 0 0 0 0 12 9 1 0 0 0 0 13 12 2 0 0 0 0 14 11 2 0 0 0 0 5 4 2 0 0 0 0 8 9 1 0 0 0 0 14 13 1 0 0 0 0 M END > (STT-00157743) STT-00157743 > (STT-00157743) 2000 $$$$ -ISIS- 02101918162D 10 10 0 0 0 0 0 0 0 0999 V2000 1.5000 0.0333 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2125 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 0.8583 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7792 -0.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9167 0.8625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2125 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9250 -1.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6417 -1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 5 1 0 0 0 0 7 2 2 0 0 0 0 8 5 2 0 0 0 0 9 7 1 0 0 0 0 10 9 2 0 0 0 0 10 8 1 0 0 0 0 M CHG 2 1 1 3 -1 M END > (STT-00159740) STT-00159740 > (STT-00159740) 2000 $$$$ -ISIS- 02101918162D 17 19 0 0 0 0 0 0 0 0999 V2000 3.0917 -1.1667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.5542 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1292 -2.3875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2292 -0.7417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -1.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 0.1583 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4667 1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7292 1.5708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7292 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9542 2.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 -2.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0875 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -2.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 6 3 2 0 0 0 0 7 1 1 0 0 0 0 8 7 2 0 0 0 0 9 3 1 0 0 0 0 10 12 1 0 0 0 0 11 10 2 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 7 1 0 0 0 0 15 8 1 0 0 0 0 16 14 2 0 0 0 0 17 16 1 0 0 0 0 8 5 1 0 0 0 0 4 6 1 0 0 0 0 15 17 2 0 0 0 0 M END > (STT-00167506) STT-00167506 > (STT-00167506) 1000 $$$$ -ISIS- 02101918162D 25 26 0 0 0 0 0 0 0 0999 V2000 -0.2333 1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3667 1.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 1.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 0.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 1.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 2.6833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 1.0458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -0.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -0.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 -0.1792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.0500 0.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0667 -1.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 0.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0500 -1.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8333 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -0.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -0.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 2 2 0 0 0 0 6 1 1 0 0 0 0 7 6 3 0 0 0 0 8 5 1 0 0 0 0 9 13 2 0 0 0 0 10 8 2 0 0 0 0 11 3 1 0 0 0 0 12 15 2 0 0 0 0 13 14 1 0 0 0 0 14 10 1 0 0 0 0 15 17 1 0 0 0 0 16 21 1 0 0 0 0 17 14 2 0 0 0 0 18 9 1 0 0 0 0 19 11 1 0 0 0 0 20 12 1 0 0 0 0 21 19 1 0 0 0 0 22 16 1 0 0 0 0 23 16 1 0 0 0 0 24 18 1 0 0 0 0 25 20 1 0 0 0 0 5 4 1 0 0 0 0 9 12 1 0 0 0 0 M END > (STT-00167777) STT-00167777 > (STT-00167777) 1150 $$$$ -ISIS- 02101918162D 13 14 0 0 0 0 0 0 0 0999 V2000 4.2042 -0.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -0.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2042 -1.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 -1.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9667 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5792 0.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8167 -1.4792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1292 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 5 1 0 0 0 0 7 3 2 0 0 0 0 8 2 2 0 0 0 0 9 4 2 0 0 0 0 10 6 2 0 0 0 0 11 7 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 0 0 0 0 3 6 1 0 0 0 0 11 12 2 0 0 0 0 M END > (STT-00190114) STT-00190114 > (STT-00190114) 4050 $$$$ -ISIS- 02101918162D 14 14 0 0 0 0 0 0 0 0999 V2000 1.1167 0.5833 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.1167 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0792 1.5333 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 0.4667 -0.5417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -0.1667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7000 1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7667 -0.5417 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 1.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 2.3333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7625 1.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 2.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 -0.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 8 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 1 1 0 0 0 0 8 7 1 0 0 0 0 9 2 2 0 0 0 0 10 4 2 0 0 0 0 11 4 2 0 0 0 0 12 3 2 0 0 0 0 13 4 1 0 0 0 0 14 6 1 0 0 0 0 5 6 1 0 0 0 0 M END > (STT-00205391) STT-00205391 > (STT-00205391) 1046 $$$$ -ISIS- 02101918162D 18 19 0 0 0 0 0 0 0 0999 V2000 -0.0208 -0.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -0.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -2.2250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 -1.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4458 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1583 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6875 0.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1583 -2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7375 0.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8708 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8708 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5875 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5875 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 -0.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 7 5 1 0 0 0 0 8 3 2 0 0 0 0 9 4 2 0 0 0 0 10 7 2 0 0 0 0 11 2 1 0 0 0 0 12 8 1 0 0 0 0 13 4 1 0 0 0 0 14 10 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 7 3 1 0 0 0 0 14 12 2 0 0 0 0 M END > (STT-00217670) STT-00217670 > (STT-00217670) 1000 $$$$ -ISIS- 02101918162D 12 12 0 0 0 0 0 0 0 0999 V2000 3.0042 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2875 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -2.9167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4292 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1708 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 0.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 -2.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8958 -1.4167 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9875 1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 3.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 2 1 0 0 0 0 6 7 1 0 0 0 0 7 5 2 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 1 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 8 6 2 0 0 0 0 M END > (STT-00236921) STT-00236921 > (STT-00236921) 5000 $$$$ -ISIS- 02101918162D 21 24 0 0 0 0 0 0 0 0999 V2000 -1.4583 2.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 2.7958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 1.7333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.6333 2.1333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9458 1.4458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 2.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 1.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1500 2.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7458 2.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7375 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3125 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2292 0.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8417 -0.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 3.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6917 -0.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4583 2.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4583 1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 2.5333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 7 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 8 1 0 0 0 0 7 4 1 0 0 0 0 8 4 1 0 0 0 0 9 2 1 0 0 0 0 10 5 1 0 0 0 0 11 3 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 14 6 2 0 0 0 0 15 12 2 0 0 0 0 16 13 1 0 0 0 0 17 15 1 0 0 0 0 18 9 2 0 0 0 0 19 10 2 0 0 0 0 20 19 1 0 0 0 0 21 18 1 0 0 0 0 9 10 1 0 0 0 0 3 6 1 0 0 0 0 21 20 2 0 0 0 0 17 16 2 0 0 0 0 M END > (STT-00242823) STT-00242823 > (STT-00242823) 1076 $$$$ -ISIS- 02101918162D 15 16 0 0 0 0 0 0 0 0999 V2000 1.9667 -2.9167 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.5292 -2.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -3.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2417 -2.4750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7542 -3.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9625 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7417 -1.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -3.3292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5292 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2417 -1.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 -3.7042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -3.0250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.3208 -4.1792 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -3.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 -4.5667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 5 2 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 6 2 0 0 0 0 8 2 1 0 0 0 0 9 10 2 0 0 0 0 10 6 1 0 0 0 0 11 8 1 0 0 0 0 12 8 1 0 0 0 0 13 8 1 0 0 0 0 14 5 1 0 0 0 0 15 14 1 0 0 0 0 7 4 1 0 0 0 0 9 2 1 0 0 0 0 M END > (STT-00257989) STT-00257989 > (STT-00257989) 50000 > (STT-00257989) 2HCl $$$$ -ISIS- 02101918162D 16 17 0 0 0 0 0 0 0 0999 V2000 5.3875 -2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -2.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -2.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -2.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -1.2292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7042 -2.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2667 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5125 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 -4.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9500 -4.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 1 2 0 0 0 0 5 2 2 0 0 0 0 6 2 1 0 0 0 0 7 3 2 0 0 0 0 8 4 1 0 0 0 0 9 3 1 0 0 0 0 10 8 1 0 0 0 0 11 8 2 0 0 0 0 12 6 2 0 0 0 0 13 6 1 0 0 0 0 14 13 2 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 7 11 1 0 0 0 0 15 16 2 0 0 0 0 M END > (STT-00260842) STT-00260842 > (STT-00260842) 2650 > (STT-00260842) 2HCl $$$$ -ISIS- 02101918162D 23 26 0 0 0 0 0 0 0 0999 V2000 2.0292 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3667 0.2708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.7042 0.2458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 1.0375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 -2.3042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.6375 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -1.0542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4042 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7167 -1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5542 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 1.6708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3917 -3.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1292 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -2.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 -2.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 -2.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 -1.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8625 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -2.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -1.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 3 1 0 0 0 0 5 9 1 0 0 0 0 6 2 1 0 0 0 0 7 1 1 0 0 0 0 8 5 1 0 0 0 0 9 7 1 0 0 0 0 10 2 1 0 0 0 0 11 6 1 0 0 0 0 12 8 2 0 0 0 0 13 8 1 0 0 0 0 14 10 2 0 0 0 0 15 14 1 0 0 0 0 16 18 1 0 0 0 0 17 7 1 0 0 0 0 18 17 1 0 0 0 0 19 13 2 0 0 0 0 20 13 1 0 0 0 0 21 20 2 0 0 0 0 22 19 1 0 0 0 0 23 21 1 0 0 0 0 4 6 2 0 0 0 0 16 5 1 0 0 0 0 11 15 2 0 0 0 0 22 23 2 0 0 0 0 M END > (STT-00271066) STT-00271066 > (STT-00271066) 1000 $$$$ -ISIS- 02101918162D 23 25 0 0 0 0 0 0 0 0999 V2000 5.9417 -2.7375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.4917 0.5125 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7500 0.1500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1792 0.7375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 1.4708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9417 -1.9125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 -3.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1167 -2.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7625 -2.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2250 -0.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9375 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -3.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2167 -4.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 -4.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 -6.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9250 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6417 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6500 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -6.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 9 1 0 0 0 0 3 2 1 0 0 0 0 4 3 2 0 0 0 0 5 7 2 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 12 1 0 0 0 0 10 1 2 0 0 0 0 11 1 2 0 0 0 0 12 13 2 0 0 0 0 13 6 1 0 0 0 0 14 8 2 0 0 0 0 15 8 1 0 0 0 0 16 17 1 0 0 0 0 17 15 2 0 0 0 0 18 14 1 0 0 0 0 19 16 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 13 1 0 0 0 0 23 19 1 0 0 0 0 18 16 2 0 0 0 0 9 20 2 0 0 0 0 4 5 1 0 0 0 0 M END > (STT-00271224) STT-00271224 > (STT-00271224) 1120 $$$$ -ISIS- 02101918162D 18 20 0 0 0 0 0 0 0 0999 V2000 0.6042 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1417 3.2958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 2.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 -0.4042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.3167 3.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3167 0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -1.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1833 -0.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6625 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 -0.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 2.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0292 1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1083 4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 7 1 0 0 0 0 3 1 1 0 0 0 0 4 6 1 0 0 0 0 5 3 2 0 0 0 0 6 8 1 0 0 0 0 7 1 1 0 0 0 0 8 9 1 0 0 0 0 9 1 2 0 0 0 0 10 11 2 0 0 0 0 11 4 1 0 0 0 0 12 4 1 0 0 0 0 13 12 2 0 0 0 0 14 6 2 0 0 0 0 15 7 2 0 0 0 0 16 8 2 0 0 0 0 17 3 1 0 0 0 0 18 5 1 0 0 0 0 2 5 1 0 0 0 0 16 15 1 0 0 0 0 10 13 1 0 0 0 0 M END > (STT-00271251) STT-00271251 > (STT-00271251) 1210 $$$$ -ISIS- 02101918162D 19 21 0 0 0 0 0 0 0 0999 V2000 6.3042 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0167 -2.8917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.7292 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7292 -1.6542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0167 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5875 -1.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5875 -2.8917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -1.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8750 -2.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4417 -2.8917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0167 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 -0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2917 -0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0917 -2.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 1 2 0 0 0 0 8 2 2 0 0 0 0 9 7 1 0 0 0 0 10 9 2 0 0 0 0 11 7 1 0 0 0 0 12 4 2 0 0 0 0 13 6 2 0 0 0 0 14 11 2 0 0 0 0 15 3 1 0 0 0 0 16 11 1 0 0 0 0 17 9 1 0 0 0 0 18 10 1 0 0 0 0 19 17 1 0 0 0 0 10 8 1 0 0 0 0 4 3 1 0 0 0 0 18 19 1 0 0 0 0 M END > (STT-00296878) STT-00296878 > (STT-00296878) 1000 $$$$ -ISIS- 02101918162D 26 29 0 0 0 0 0 0 0 0999 V2000 -4.5375 2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5375 3.8083 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.8625 4.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2083 2.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8958 3.7958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8625 2.6083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1750 3.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8958 3.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1750 2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8583 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2083 1.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5333 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8833 1.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8958 5.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2083 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9458 7.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5333 0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8833 0.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2083 -0.5667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.6083 6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1875 6.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6333 7.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2208 7.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9750 8.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4625 2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2833 8.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 2 1 0 0 0 0 6 1 1 0 0 0 0 7 9 1 0 0 0 0 8 4 1 0 0 0 0 9 6 2 0 0 0 0 10 3 1 0 0 0 0 11 4 1 0 0 0 0 12 11 1 0 0 0 0 13 11 2 0 0 0 0 14 10 1 0 0 0 0 15 18 2 0 0 0 0 16 23 1 0 0 0 0 17 12 2 0 0 0 0 18 13 1 0 0 0 0 19 15 1 0 0 0 0 20 14 2 0 0 0 0 21 14 1 0 0 0 0 22 20 1 0 0 0 0 23 21 2 0 0 0 0 24 16 1 0 0 0 0 25 9 1 0 0 0 0 26 24 1 0 0 0 0 8 5 2 0 0 0 0 3 7 2 0 0 0 0 15 17 1 0 0 0 0 22 16 2 0 0 0 0 M END > (STT-00304901) STT-00304901 > (STT-00304901) 1000 $$$$ -ISIS- 02101918162D 16 16 0 0 0 0 0 0 0 0999 V2000 3.7542 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0375 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8917 -0.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6125 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -1.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1792 0.2708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4667 -0.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 -0.5542 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5333 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0417 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3167 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6042 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -0.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8917 -0.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 4 1 0 0 0 0 4 6 1 0 0 0 0 5 2 1 0 0 0 0 6 5 2 0 0 0 0 7 1 2 0 0 0 0 8 3 2 0 0 0 0 9 1 1 0 0 0 0 10 11 1 0 0 0 0 11 3 1 0 0 0 0 12 2 2 0 0 0 0 13 12 1 0 0 0 0 14 13 2 0 0 0 0 15 9 1 0 0 0 0 16 15 1 0 0 0 0 6 14 1 0 0 0 0 M END > (STT-00358860) STT-00358860 > (STT-00358860) 1000 $$$$ -ISIS- 02101918162D 33 35 0 0 0 0 0 0 0 0999 V2000 4.4750 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 -1.9625 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 -0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -1.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2792 -1.7000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7625 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -1.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5167 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -3.6750 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.9542 -4.1042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.1792 -2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -2.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 -2.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 -2.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4542 0.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7917 -1.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 -3.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5167 -3.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9667 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 -3.0417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5792 -4.4542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7417 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3917 -4.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5500 -0.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1917 -3.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7667 -4.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0625 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -3.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -2.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3417 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8792 0.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 10 19 1 0 0 0 0 11 24 1 0 0 0 0 12 8 2 0 0 0 0 13 12 1 0 0 0 0 14 9 1 0 0 0 0 15 20 1 0 0 0 0 16 7 2 0 0 0 0 17 8 1 0 0 0 0 18 9 2 0 0 0 0 19 14 1 0 0 0 0 20 17 2 0 0 0 0 21 10 1 0 0 0 0 22 10 1 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 25 7 1 0 0 0 0 26 13 1 0 0 0 0 27 15 1 0 0 0 0 28 11 1 0 0 0 0 29 25 1 0 0 0 0 30 26 1 0 0 0 0 31 27 1 0 0 0 0 32 28 1 0 0 0 0 33 29 1 0 0 0 0 4 5 2 0 0 0 0 13 15 2 0 0 0 0 23 11 1 0 0 0 0 M END > (STT-00399544) STT-00399544 > (STT-00399544) 1600 > (STT-00399544) (C2H2O4)2 $$$$ -ISIS- 02101918162D 21 24 0 0 0 0 0 0 0 0999 V2000 3.9500 -0.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7833 -0.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9417 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7833 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0167 -0.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8333 -0.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -2.1042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8458 -2.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4833 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -1.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8083 -0.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -2.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8083 -2.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 -0.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 -0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0042 -1.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8458 -1.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 12 1 0 0 0 0 3 1 2 0 0 0 0 4 14 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 5 1 0 0 0 0 11 1 1 0 0 0 0 12 17 2 0 0 0 0 13 3 1 0 0 0 0 14 19 2 0 0 0 0 15 21 1 0 0 0 0 16 11 2 0 0 0 0 17 20 1 0 0 0 0 18 16 1 0 0 0 0 19 17 1 0 0 0 0 20 15 1 0 0 0 0 21 16 1 0 0 0 0 7 10 1 0 0 0 0 13 18 2 0 0 0 0 4 2 2 0 0 0 0 9 8 1 0 0 0 0 M END > (STT-00399558) STT-00399558 > (STT-00399558) 1080 $$$$ -ISIS- 02101918162D 21 20 0 0 0 0 0 0 0 0999 V2000 2.2542 -2.9375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 4.3292 -3.6375 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 3.1042 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5292 -3.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -3.7667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2542 -2.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -2.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3292 -4.4667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -2.9375 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1667 -3.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6125 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3917 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5792 -0.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9125 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3500 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4167 -2.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8375 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6792 -2.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1167 -1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8042 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 4 1 0 0 0 0 3 1 1 0 0 0 0 4 3 1 0 0 0 0 5 1 2 0 0 0 0 6 1 2 0 0 0 0 7 2 2 0 0 0 0 8 2 2 0 0 0 0 9 1 1 0 0 0 0 10 2 1 0 0 0 0 11 10 1 0 0 0 0 12 13 1 0 0 0 0 13 16 1 0 0 0 0 14 20 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 17 11 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 12 1 0 0 0 0 M END > (STT-00399559) STT-00399559 > (STT-00399559) 1350 $$$$ -ISIS- 02101918162D 25 27 0 0 0 0 0 0 0 0999 V2000 -1.7833 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8458 -1.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -0.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 0.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7083 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -2.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7083 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -1.3542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8667 -2.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9417 -4.0292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6333 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -2.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6333 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5583 -1.3667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8625 1.8458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 -1.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4833 -0.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6917 0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6375 -0.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6292 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 1 2 0 0 0 0 7 14 1 0 0 0 0 8 5 2 0 0 0 0 9 4 2 0 0 0 0 10 3 1 0 0 0 0 11 7 1 0 0 0 0 12 7 2 0 0 0 0 13 6 1 0 0 0 0 14 10 1 0 0 0 0 15 13 2 0 0 0 0 16 11 1 0 0 0 0 17 16 1 0 0 0 0 18 13 1 0 0 0 0 19 5 1 0 0 0 0 20 17 2 0 0 0 0 21 17 1 0 0 0 0 22 18 1 0 0 0 0 23 21 2 0 0 0 0 24 20 1 0 0 0 0 25 23 1 0 0 0 0 9 15 1 0 0 0 0 3 8 1 0 0 0 0 24 25 2 0 0 0 0 M END > (STT-00399571) STT-00399571 > (STT-00399571) 1000 $$$$ -ISIS- 02101918162D 26 29 0 0 0 0 0 0 0 0999 V2000 0.1167 -2.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1042 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1042 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 -1.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1167 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0917 1.7333 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.1167 -4.0542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.0917 2.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -5.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 0.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1167 -2.3167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8958 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 2.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 -5.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1125 -3.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -5.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0917 1.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1042 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0917 3.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 -0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8958 -1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 4 1 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 22 1 0 0 0 0 12 23 1 0 0 0 0 13 3 1 0 0 0 0 14 4 1 0 0 0 0 15 6 2 0 0 0 0 16 5 2 0 0 0 0 17 9 1 0 0 0 0 18 10 1 0 0 0 0 19 9 1 0 0 0 0 20 10 1 0 0 0 0 21 18 1 0 0 0 0 22 19 1 0 0 0 0 23 20 1 0 0 0 0 24 17 1 0 0 0 0 25 26 2 0 0 0 0 26 15 1 0 0 0 0 2 3 2 0 0 0 0 12 21 1 0 0 0 0 25 16 1 0 0 0 0 11 24 1 0 0 0 0 M END > (STT-00399583) STT-00399583 > (STT-00399583) 1000 $$$$ -ISIS- 02101918162D 28 31 0 0 0 0 0 0 0 0999 V2000 5.5750 -2.8000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5667 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -1.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2875 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8542 -2.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 0.1000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.2875 -4.0375 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5750 -3.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 -1.1292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 -2.7917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9875 -0.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2625 0.9208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -4.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9792 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9917 -5.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7042 -4.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 -2.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1375 -1.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7000 0.9333 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7042 -4.8667 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4167 -5.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4167 1.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -1.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4167 -2.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 5 1 0 0 0 0 3 4 1 0 0 0 0 4 1 2 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 9 1 1 0 0 0 0 10 2 1 0 0 0 0 11 3 1 0 0 0 0 12 4 1 0 0 0 0 13 7 1 0 0 0 0 14 7 1 0 0 0 0 15 8 1 0 0 0 0 16 8 1 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 19 16 1 0 0 0 0 20 13 1 0 0 0 0 21 6 2 0 0 0 0 22 5 2 0 0 0 0 23 17 1 0 0 0 0 24 19 1 0 0 0 0 25 24 1 0 0 0 0 26 23 1 0 0 0 0 27 28 2 0 0 0 0 28 21 1 0 0 0 0 3 2 2 0 0 0 0 22 27 1 0 0 0 0 18 24 1 0 0 0 0 20 23 1 0 0 0 0 M END > (STT-00399585) STT-00399585 > (STT-00399585) 1000 $$$$ -ISIS- 02101918162D 17 18 0 0 0 0 0 0 0 0999 V2000 3.5125 -2.9542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -2.5875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3667 -1.3792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2167 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5125 -1.0125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.7333 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3292 -3.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -2.5875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3292 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3042 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7333 -4.3792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 0.1333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7708 -2.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 -1.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 -1.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 1.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 2 0 0 0 0 5 4 1 0 0 0 0 6 8 1 0 0 0 0 7 2 1 0 0 0 0 8 7 1 0 0 0 0 9 3 1 0 0 0 0 10 8 1 0 0 0 0 11 6 2 0 0 0 0 12 5 1 0 0 0 0 13 6 1 0 0 0 0 14 4 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 15 1 0 0 0 0 5 3 1 0 0 0 0 10 9 1 0 0 0 0 M END > (STT-00399614) STT-00399614 > (STT-00399614) 1000 $$$$ -ISIS- 02101918162D 41 43 0 0 0 0 0 0 0 0999 V2000 3.4500 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3167 -1.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9000 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2792 -3.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5250 -0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6917 -2.6750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0667 -4.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9417 0.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 0.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -1.8792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.7625 0.2208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3042 -1.8792 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.0750 -3.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -0.2167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5542 0.4333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6917 -1.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3250 -0.2875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0167 -0.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3875 1.6083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7375 -0.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 -3.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6500 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3792 0.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2667 -2.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.4542 -4.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -5.4292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 1.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 -2.6792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7042 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9667 -2.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5792 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8792 -1.1625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 -1.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7667 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -3.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -3.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 2 1 0 0 0 0 4 7 1 0 0 0 0 5 1 2 0 0 0 0 6 10 1 0 0 0 0 7 3 1 0 0 0 0 8 5 1 0 0 0 0 9 4 2 0 0 0 0 10 18 1 0 0 0 0 11 27 1 0 0 0 0 12 1 1 0 0 0 0 13 1 1 0 0 0 0 14 11 1 0 0 0 0 15 8 1 0 0 0 0 16 4 1 0 0 0 0 17 12 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 20 3 2 0 0 0 0 21 6 2 0 0 0 0 22 24 1 0 0 0 0 23 11 2 0 0 0 0 24 12 2 0 0 0 0 25 16 2 0 0 0 0 26 9 1 0 0 0 0 27 17 1 0 0 0 0 28 16 1 0 0 0 0 29 25 1 0 0 0 0 30 26 1 0 0 0 0 31 32 1 0 0 0 0 32 39 2 0 0 0 0 33 13 1 0 0 0 0 34 15 1 0 0 0 0 35 13 1 0 0 0 0 36 13 1 0 0 0 0 37 15 1 0 0 0 0 38 15 1 0 0 0 0 39 19 1 0 0 0 0 40 33 1 0 0 0 0 41 34 1 0 0 0 0 22 8 2 0 0 0 0 10 31 2 0 0 0 0 26 29 2 0 0 0 0 M END > (STT-00399626) STT-00399626 > (STT-00399626) 2000 $$$$ -ISIS- 02101918162D 21 24 0 0 0 0 0 0 0 0999 V2000 4.9042 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -5.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -4.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7167 -6.0542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2417 -6.3542 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8292 -5.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0167 -4.6417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5667 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2792 -5.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 -6.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9542 -3.6792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7500 -6.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4750 -7.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4625 -6.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2875 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0792 -5.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3292 -6.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2667 -4.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 -6.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -4.6292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -5.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 9 1 0 0 0 0 8 5 1 0 0 0 0 9 4 2 0 0 0 0 10 17 1 0 0 0 0 11 3 2 0 0 0 0 12 10 1 0 0 0 0 13 10 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 9 1 0 0 0 0 17 16 1 0 0 0 0 18 6 1 0 0 0 0 19 8 1 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 6 8 2 0 0 0 0 7 3 1 0 0 0 0 21 20 1 0 0 0 0 14 15 2 0 0 0 0 M END > (STT-00399728) STT-00399728 > (STT-00399728) 3000 $$$$ -ISIS- 02101918162D 34 36 0 0 0 0 0 0 0 0999 V2000 3.2875 -6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -5.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3750 -5.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 -6.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -6.7750 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4667 -6.4667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -7.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 -7.7750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9917 -4.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4125 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 -6.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -7.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3083 -6.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2167 -7.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 -8.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 -6.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3583 -7.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8542 -6.8167 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -5.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 -6.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7750 -7.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0500 -8.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4125 -7.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8625 -4.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6125 -8.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2500 -4.0875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5792 -7.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -9.7000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8583 -5.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9625 -7.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0542 -3.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1083 -9.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3125 -3.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1292 -8.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 6 1 1 0 0 0 0 7 8 2 0 0 0 0 8 11 1 0 0 0 0 9 2 1 0 0 0 0 10 4 1 0 0 0 0 11 18 1 0 0 0 0 12 13 2 0 0 0 0 13 16 1 0 0 0 0 14 6 1 0 0 0 0 15 7 1 0 0 0 0 16 11 2 0 0 0 0 17 12 1 0 0 0 0 18 23 1 0 0 0 0 19 9 2 0 0 0 0 20 10 2 0 0 0 0 21 14 2 0 0 0 0 22 15 2 0 0 0 0 23 14 1 0 0 0 0 24 3 1 0 0 0 0 25 17 2 0 0 0 0 26 9 1 0 0 0 0 27 10 1 0 0 0 0 28 22 1 0 0 0 0 29 13 1 0 0 0 0 30 27 1 0 0 0 0 31 26 1 0 0 0 0 32 28 1 0 0 0 0 33 31 1 0 0 0 0 34 30 1 0 0 0 0 4 3 2 0 0 0 0 12 7 1 0 0 0 0 25 22 1 0 0 0 0 M END > (STT-00399734) STT-00399734 > (STT-00399734) 1000 $$$$ -ISIS- 02101918162D 26 27 0 0 0 0 0 0 0 0999 V2000 3.3417 -6.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1667 -6.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -7.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -7.8917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0875 -7.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1750 -6.7167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9667 -5.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9750 -6.9292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2042 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 -5.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3792 -5.4792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5917 -7.3000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5542 -6.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3500 -5.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7917 -7.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 -6.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 -8.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -5.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -5.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -7.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3417 -4.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3542 -6.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 -5.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3500 -4.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 5 1 0 0 0 0 5 1 2 0 0 0 0 6 14 1 0 0 0 0 7 6 1 0 0 0 0 8 6 2 0 0 0 0 9 1 1 0 0 0 0 10 3 1 0 0 0 0 11 7 2 0 0 0 0 12 7 1 0 0 0 0 13 12 3 0 0 0 0 14 17 1 0 0 0 0 15 8 1 0 0 0 0 16 15 2 0 0 0 0 17 10 1 0 0 0 0 18 9 2 0 0 0 0 19 10 2 0 0 0 0 20 2 1 0 0 0 0 21 9 1 0 0 0 0 22 5 1 0 0 0 0 23 11 1 0 0 0 0 24 15 1 0 0 0 0 25 21 1 0 0 0 0 26 25 1 0 0 0 0 3 4 1 0 0 0 0 16 11 1 0 0 0 0 M END > (STT-00399743) STT-00399743 > (STT-00399743) 1000 $$$$ -ISIS- 02101918162D 16 17 0 0 0 0 0 0 0 0999 V2000 6.7542 -6.2667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2375 -5.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 -6.0167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7542 -4.9375 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -5.1917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 -6.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5542 -7.4875 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2667 -7.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0667 -5.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5625 -6.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4167 -7.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -7.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8375 -7.8917 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5625 -6.6625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -7.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -6.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 2 0 0 0 0 6 3 1 0 0 0 0 7 8 1 0 0 0 0 8 12 1 0 0 0 0 9 2 1 0 0 0 0 10 6 2 0 0 0 0 11 6 1 0 0 0 0 12 15 1 0 0 0 0 13 7 1 0 0 0 0 14 7 1 0 0 0 0 15 11 2 0 0 0 0 16 10 1 0 0 0 0 5 4 1 0 0 0 0 12 16 2 0 0 0 0 M END > (STT-00399746) STT-00399746 > (STT-00399746) 1000 $$$$ -ISIS- 02101918162D 12 11 0 0 0 0 0 0 0 0999 V2000 2.3000 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0167 -0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5792 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8667 -0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4208 -0.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -0.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7083 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9875 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5583 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1333 -0.4167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 1 0 0 0 0 6 8 1 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 9 5 1 0 0 0 0 10 7 1 0 0 0 0 11 9 1 0 0 0 0 12 6 1 0 0 0 0 M END > (STT-00405971) STT-00405971 > (STT-00405971) 4000 $$$$ -ISIS- 02101918162D 10 10 0 0 0 0 0 0 0 0999 V2000 0.5417 0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -0.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5167 1.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 -0.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 0.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 1.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2917 -0.9667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8875 0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9083 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 2.3000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 5 2 2 0 0 0 0 6 3 1 0 0 0 0 7 2 1 0 0 0 0 8 4 2 0 0 0 0 9 8 1 0 0 0 0 10 6 1 0 0 0 0 9 6 2 0 0 0 0 M END > (VG-00049) VG-00049 > (VG-00049) 1745 $$$$ -ISIS- 02101918162D 11 11 0 0 0 0 0 0 0 0999 V2000 1.7542 -0.7875 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.4792 -1.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -2.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -0.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3542 -1.5042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1542 -0.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1917 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9167 -1.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6625 -2.3667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 7 2 0 0 0 0 4 1 2 0 0 0 0 5 1 2 0 0 0 0 6 10 2 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 2 2 0 0 0 0 10 9 1 0 0 0 0 11 6 1 0 0 0 0 6 3 1 0 0 0 0 M END > (VG-00063) VG-00063 > (VG-00063) 4000 $$$$ -ISIS- 02101918162D 36 40 0 0 0 0 0 0 0 0999 V2000 -0.8333 0.2208 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.3958 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3708 0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -2.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1125 -0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8500 -0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 -2.7292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 -2.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0125 0.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 1.8625 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3542 -1.8667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -2.8292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 -2.1000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8708 1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 1.0458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -1.4000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7542 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 -2.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 -1.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4167 -0.4292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 2.2458 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.1958 1.5625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 2.1833 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5958 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4708 0.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3708 1.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 1.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -1.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 -2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9333 -1.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 -2.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1958 -2.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 13 1 0 0 0 0 5 1 1 0 0 0 0 6 5 2 0 0 0 0 7 4 2 0 0 0 0 8 4 1 0 0 0 0 9 7 1 0 0 0 0 10 8 2 0 0 0 0 11 1 1 0 0 0 0 12 17 1 0 0 0 0 13 19 1 0 0 0 0 14 20 2 0 0 0 0 15 13 2 0 0 0 0 16 2 1 0 0 0 0 17 18 1 0 0 0 0 18 11 2 0 0 0 0 19 22 1 0 0 0 0 20 15 1 0 0 0 0 21 10 1 0 0 0 0 22 16 1 0 0 0 0 23 16 2 0 0 0 0 24 12 1 0 0 0 0 25 12 1 0 0 0 0 26 12 1 0 0 0 0 27 3 1 0 0 0 0 28 5 1 0 0 0 0 29 11 1 0 0 0 0 30 31 1 0 0 0 0 31 29 2 0 0 0 0 32 21 1 0 0 0 0 33 21 2 0 0 0 0 34 32 2 0 0 0 0 35 33 1 0 0 0 0 36 35 2 0 0 0 0 6 2 1 0 0 0 0 30 17 2 0 0 0 0 14 7 1 0 0 0 0 9 10 1 0 0 0 0 34 36 1 0 0 0 0 M END > (VT-00039508) VT-00039508 > (VT-00039508) 1580 $$$$ -ISIS- 02101918162D 23 25 0 0 0 0 0 0 0 0999 V2000 -0.0875 0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6667 -0.0167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 0.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0375 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 1.1833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0083 1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 0.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 1.3125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 1.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -0.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3792 -0.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8167 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 1.1375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9458 -1.3375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 2.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6375 1.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4917 0.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9792 0.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 1 1 0 0 0 0 6 4 1 0 0 0 0 7 1 2 0 0 0 0 8 5 2 0 0 0 0 9 7 1 0 0 0 0 10 6 1 0 0 0 0 11 8 1 0 0 0 0 12 5 1 0 0 0 0 13 4 2 0 0 0 0 14 10 1 0 0 0 0 15 17 1 0 0 0 0 16 8 1 0 0 0 0 17 12 2 0 0 0 0 18 15 1 0 0 0 0 19 14 1 0 0 0 0 20 10 2 0 0 0 0 21 14 2 0 0 0 0 22 20 1 0 0 0 0 23 22 2 0 0 0 0 9 3 2 0 0 0 0 15 11 2 0 0 0 0 23 21 1 0 0 0 0 M END > (VT-00046092) VT-00046092 > (VT-00046092) 1000 $$$$ -ISIS- 02101918162D 23 24 0 0 0 0 0 0 0 0999 V2000 0.1875 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8875 -0.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2125 0.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5542 0.4625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4458 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -0.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1583 0.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 1.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 -0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7208 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6333 -0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3208 -0.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2958 -0.9292 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9042 -0.6667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2167 1.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0500 1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8875 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 2.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 1.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 6 1 0 0 0 0 3 5 2 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 6 1 1 0 0 0 0 7 12 1 0 0 0 0 8 3 1 0 0 0 0 9 1 2 0 0 0 0 10 4 2 0 0 0 0 11 2 2 0 0 0 0 12 1 1 0 0 0 0 13 5 1 0 0 0 0 14 15 1 0 0 0 0 15 13 2 0 0 0 0 16 14 1 0 0 0 0 17 10 1 0 0 0 0 18 4 1 0 0 0 0 19 3 1 0 0 0 0 20 10 1 0 0 0 0 21 17 1 0 0 0 0 22 18 2 0 0 0 0 23 22 1 0 0 0 0 8 14 2 0 0 0 0 20 23 2 0 0 0 0 M END > (VT-00380253) VT-00380253 > (VT-00380253) 2079 $$$$