-ISIS- 09230315282D 17 17 0 0 0 0 0 0 0 0999 V2000 -0.2610 -2.7641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7815 -2.1253 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5499 -2.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5041 -3.2458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7075 -3.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4958 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5333 -2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 -2.3917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9083 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4875 -2.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2833 -2.2333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8625 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6583 -1.8625 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 -1.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6458 -0.8500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8583 -0.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0708 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 8 9 1 0 0 0 0 3 4 1 0 0 0 0 9 10 1 0 0 0 0 5 1 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 1 0 0 0 0 4 5 1 0 0 0 0 13 14 1 0 0 0 0 1 7 1 0 0 0 0 12 15 2 0 0 0 0 2 3 2 0 0 0 0 15 16 1 0 0 0 0 7 8 1 0 0 0 0 16 17 3 0 0 0 0 M END $$$$ -ISIS- 09230315292D 10 10 0 0 0 0 0 0 0 0999 V2000 2.5768 -3.6616 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4079 -4.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -4.8720 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7272 -4.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3883 -3.5722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5208 -4.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6875 -4.8708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1000 -4.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0958 -3.4583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -4.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 0 0 0 0 2 3 2 0 0 0 0 4 6 1 0 0 0 0 2 7 1 0 0 0 0 1 2 1 0 0 0 0 7 8 2 0 0 0 0 3 4 1 0 0 0 0 8 9 1 0 0 0 0 4 5 2 0 0 0 0 8 10 1 0 0 0 0 M END $$$$ -ISIS- 09230315312D 28 30 0 0 0 0 0 0 0 0999 V2000 -3.2473 -3.5916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2484 -4.4190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5336 -4.8319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8172 -4.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8200 -3.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5354 -3.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 -3.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1125 -2.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1083 -4.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3958 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3167 -4.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0292 -4.4083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -4.8167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4542 -4.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1672 -4.8179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8792 -4.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8787 -3.5819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1602 -3.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4511 -3.5855 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1542 -2.3458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6708 -3.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -3.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6782 -4.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4732 -4.5849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0560 -4.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8385 -3.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0439 -2.9938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 -4.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13 14 1 0 0 0 0 5 7 1 0 0 0 0 14 15 2 0 0 0 0 3 4 2 0 0 0 0 15 16 1 0 0 0 0 7 8 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 4 9 1 0 0 0 0 18 19 1 0 0 0 0 19 14 1 0 0 0 0 4 5 1 0 0 0 0 18 20 2 0 0 0 0 9 10 1 0 0 0 0 17 21 1 0 0 0 0 2 3 1 0 0 0 0 21 22 1 0 0 0 0 10 11 1 0 0 0 0 22 23 2 0 0 0 0 5 6 2 0 0 0 0 23 24 1 0 0 0 0 11 12 1 0 0 0 0 24 25 2 0 0 0 0 6 1 1 0 0 0 0 25 26 1 0 0 0 0 12 13 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 1 2 2 0 0 0 0 25 28 1 0 0 0 0 M END $$$$ -ISIS- 09230315322D 32 35 0 0 0 0 0 0 0 0999 V2000 6.4289 -4.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1453 -4.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1425 -3.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4271 -3.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7141 -4.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7164 -3.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0037 -3.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2882 -3.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2899 -4.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0032 -4.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5708 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -3.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1427 -3.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -3.6716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4213 -4.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1383 -4.9136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8516 -4.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 -2.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7083 -4.9042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0042 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -4.4875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1417 -4.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8542 -4.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9392 -3.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6067 -4.8173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1568 -4.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7453 -3.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8750 -4.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4625 -4.0250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -5.4667 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6792 -4.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15 16 1 0 0 0 0 7 8 1 0 0 0 0 16 17 1 0 0 0 0 17 12 2 0 0 0 0 3 4 2 0 0 0 0 13 18 2 0 0 0 0 8 9 2 0 0 0 0 15 19 1 0 0 0 0 4 6 1 0 0 0 0 19 20 1 0 0 0 0 9 10 1 0 0 0 0 20 21 1 0 0 0 0 10 5 2 0 0 0 0 21 22 1 0 0 0 0 1 2 2 0 0 0 0 22 23 1 0 0 0 0 8 11 1 0 0 0 0 23 24 1 0 0 0 0 27 26 1 0 0 0 0 5 1 1 0 0 0 0 25 28 1 0 0 0 0 11 12 1 0 0 0 0 24 25 2 0 0 0 0 26 24 1 0 0 0 0 27 28 2 0 0 0 0 5 6 1 0 0 0 0 12 13 1 0 0 0 0 2 3 1 0 0 0 0 27 29 1 0 0 0 0 13 14 1 0 0 0 0 29 30 1 0 0 0 0 6 7 2 0 0 0 0 30 31 1 0 0 0 0 14 15 2 0 0 0 0 30 32 1 0 0 0 0 M END $$$$ -ISIS- 09230315342D 29 31 0 0 0 0 0 0 0 0999 V2000 5.7141 -4.5148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7164 -3.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0037 -3.2763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2882 -3.6877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2899 -4.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0032 -4.9257 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5708 -3.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8542 -3.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1427 -3.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4265 -3.6716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4213 -4.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1383 -4.9136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8516 -4.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1375 -2.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7083 -4.9042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0042 -4.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7167 -4.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4292 -4.4875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1417 -4.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8542 -4.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9392 -3.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6067 -4.8173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1568 -4.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7453 -3.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8750 -4.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4625 -4.0250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -5.4667 -3.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6792 -4.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -4.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9 14 2 0 0 0 0 4 7 1 0 0 0 0 11 15 1 0 0 0 0 3 4 1 0 0 0 0 15 16 1 0 0 0 0 7 8 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 8 9 1 0 0 0 0 18 19 1 0 0 0 0 4 5 2 0 0 0 0 19 20 1 0 0 0 0 23 22 1 0 0 0 0 9 10 1 0 0 0 0 21 24 1 0 0 0 0 2 3 2 0 0 0 0 20 21 2 0 0 0 0 22 20 1 0 0 0 0 23 24 2 0 0 0 0 10 11 2 0 0 0 0 5 6 1 0 0 0 0 11 12 1 0 0 0 0 23 25 1 0 0 0 0 6 1 2 0 0 0 0 25 26 1 0 0 0 0 12 13 1 0 0 0 0 26 27 1 0 0 0 0 13 8 2 0 0 0 0 26 28 1 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 M END $$$$ -ISIS- 09230315352D 14 15 0 0 0 0 0 0 0 0999 V2000 2.4250 -4.5542 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2083 -5.3500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -5.7241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7990 -4.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2193 -4.3383 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5931 -4.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5943 -5.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1206 -5.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 -5.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8341 -4.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1188 -4.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 -3.3208 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -5.6000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6292 -4.3417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 7 8 1 0 0 0 0 4 5 1 0 0 0 0 8 9 2 0 0 0 0 5 1 1 0 0 0 0 9 10 1 0 0 0 0 2 3 2 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 1 2 1 0 0 0 0 11 12 1 0 0 0 0 9 13 1 0 0 0 0 6 7 2 0 0 0 0 10 14 1 0 0 0 0 14 1 1 0 0 0 0 M END $$$$ -ISIS- 09230315362D 21 22 0 0 0 0 0 0 0 0999 V2000 -0.2473 -1.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2484 -2.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4664 -2.8985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1828 -2.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -1.6547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4646 -1.2455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 -2.8958 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.8875 -3.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -4.3042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5008 -4.0841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0864 -4.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1248 -5.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9285 -5.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5123 -5.0996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4667 -6.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2667 -5.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6042 -2.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3167 -2.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -2.4917 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.2417 -1.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7417 -2.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 10 11 1 0 0 0 0 5 6 2 0 0 0 0 11 12 2 0 0 0 0 6 1 1 0 0 0 0 12 13 1 0 0 0 0 1 2 2 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 4 7 1 0 0 0 0 12 15 1 0 0 0 0 3 4 2 0 0 0 0 15 16 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 17 18 1 0 0 0 0 8 9 1 0 0 0 0 18 19 1 0 0 0 0 4 5 1 0 0 0 0 19 20 1 0 0 0 0 9 10 2 0 0 0 0 19 21 1 0 0 0 0 M END $$$$ -ISIS- 09230315372D 21 23 0 0 0 0 0 0 0 0999 V2000 -0.6250 -4.4318 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.1092 -2.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8397 -3.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3519 -2.9674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1356 -3.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6603 -3.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2407 -3.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0197 -2.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2242 -2.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4465 -4.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9882 -3.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 -4.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0694 -4.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5226 -5.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7138 -5.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2167 -5.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -5.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2125 -6.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6208 -7.2792 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.0375 -7.8625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3375 -7.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4 2 1 0 0 0 0 10 11 2 0 0 0 0 4 5 2 0 0 0 0 11 12 1 0 0 0 0 1 10 1 0 0 0 0 12 13 2 0 0 0 0 5 6 1 0 0 0 0 13 14 1 0 0 0 0 5 1 1 0 0 0 0 14 15 2 0 0 0 0 15 10 1 0 0 0 0 6 7 2 0 0 0 0 1 16 1 0 0 0 0 2 3 1 0 0 0 0 16 17 1 0 0 0 0 7 8 1 0 0 0 0 17 18 1 0 0 0 0 3 11 1 0 0 0 0 18 19 1 0 0 0 0 8 9 2 0 0 0 0 19 20 1 0 0 0 0 9 4 1 0 0 0 0 19 21 1 0 0 0 0 M END $$$$ -ISIS- 09230315392D 21 21 0 0 0 0 0 0 0 0999 V2000 -0.2833 -3.1541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 -2.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 -1.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 -1.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9526 -2.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0958 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8083 -2.6667 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5208 -3.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2333 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9458 -3.0708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6583 -2.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3708 -3.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0833 -2.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6542 -1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3665 -1.4172 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.3583 -0.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0750 -1.8292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 -3.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3875 -2.6667 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.3917 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8042 -3.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 2 6 1 0 0 0 0 12 13 1 0 0 0 0 4 5 2 0 0 0 0 11 14 2 0 0 0 0 6 7 1 0 0 0 0 14 15 1 0 0 0 0 2 3 2 0 0 0 0 15 16 1 0 0 0 0 7 8 1 0 0 0 0 15 17 2 0 0 0 0 1 2 1 0 0 0 0 5 18 1 0 0 0 0 8 9 1 0 0 0 0 18 19 1 0 0 0 0 3 4 1 0 0 0 0 19 20 1 0 0 0 0 9 10 1 0 0 0 0 19 21 1 0 0 0 0 M END $$$$ -ISIS- 09230315412D 20 20 0 0 0 0 0 0 0 0999 V2000 -1.1542 -3.8083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8276 -4.2951 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5709 -5.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7417 -5.0834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4849 -4.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2917 -5.4917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0917 -5.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0958 -4.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6792 -5.8583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9375 -4.2917 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -4.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -4.7042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2125 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7833 -3.4667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3667 -2.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -2.2917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5 10 1 0 0 0 0 5 1 2 0 0 0 0 10 11 1 0 0 0 0 2 3 1 0 0 0 0 11 12 1 0 0 0 0 3 6 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 6 7 2 0 0 0 0 14 15 1 0 0 0 0 1 2 1 0 0 0 0 15 16 1 0 0 0 0 7 8 1 0 0 0 0 16 17 1 0 0 0 0 3 4 2 0 0 0 0 15 18 2 0 0 0 0 7 9 1 0 0 0 0 18 19 1 0 0 0 0 4 5 1 0 0 0 0 19 20 3 0 0 0 0 M END $$$$ -ISIS- 09230315422D 15 16 0 0 0 0 0 0 0 0999 V2000 -0.7181 -4.9666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7193 -5.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0044 -6.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 -5.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7091 -4.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0062 -4.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6518 -6.9259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6555 -6.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0381 -5.8459 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4171 -6.9193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4208 -6.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3667 -6.2083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 -3.7250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.7000 -3.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -3.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 11 1 0 0 0 0 10 7 1 0 0 0 0 10 11 2 0 0 0 0 4 5 1 0 0 0 0 2 3 1 0 0 0 0 5 6 2 0 0 0 0 8 12 1 0 0 0 0 6 1 1 0 0 0 0 6 13 1 0 0 0 0 4 11 1 0 0 0 0 13 14 1 0 0 0 0 1 2 2 0 0 0 0 13 15 1 0 0 0 0 M END $$$$ -ISIS- 09230315462D 19 19 0 0 0 0 0 0 0 0999 V2000 -2.2181 -3.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2193 -4.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5044 -4.5194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 -4.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7909 -3.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5062 -2.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0792 -2.8583 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0792 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6333 -4.1042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3458 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0583 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -4.5167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4833 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1958 -4.5167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9083 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6208 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 -3.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 -2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6458 -2.1042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 9 10 1 0 0 0 0 2 3 1 0 0 0 0 10 11 1 0 0 0 0 5 6 2 0 0 0 0 11 12 1 0 0 0 0 6 1 1 0 0 0 0 12 13 1 0 0 0 0 1 2 2 0 0 0 0 13 14 1 0 0 0 0 5 7 1 0 0 0 0 14 15 1 0 0 0 0 3 4 2 0 0 0 0 15 16 1 0 0 0 0 4 8 1 0 0 0 0 13 17 2 0 0 0 0 17 18 1 0 0 0 0 8 9 1 0 0 0 0 18 19 3 0 0 0 0 M END $$$$ -ISIS- 09230315472D 20 21 0 0 0 0 0 0 0 0999 V2000 -2.2181 -3.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2193 -4.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5044 -4.5194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 -4.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7909 -3.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5062 -2.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0792 -2.8583 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.0792 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6333 -4.1042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3458 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0583 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -4.5167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4833 -4.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2392 -4.4315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7881 -3.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3714 -3.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 -3.2786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -2.6875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9708 -1.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2583 -3.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9 10 1 0 0 0 0 2 3 1 0 0 0 0 10 11 1 0 0 0 0 5 6 2 0 0 0 0 11 12 1 0 0 0 0 6 1 1 0 0 0 0 12 13 1 0 0 0 0 16 17 1 0 0 0 0 1 2 2 0 0 0 0 14 15 1 0 0 0 0 5 7 1 0 0 0 0 3 4 2 0 0 0 0 4 8 1 0 0 0 0 13 14 1 0 0 0 0 15 16 2 0 0 0 0 17 13 2 0 0 0 0 17 18 1 0 0 0 0 8 9 1 0 0 0 0 18 19 2 0 0 0 0 4 5 1 0 0 0 0 18 20 2 0 0 0 0 M END $$$$ -ISIS- 09230315482D 19 20 0 0 0 0 0 0 0 0999 V2000 -2.2181 -3.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2193 -4.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5044 -4.5194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 -4.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7909 -3.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5062 -2.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0792 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6333 -4.1042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3458 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0583 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -4.5167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4833 -4.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2392 -4.4315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7881 -3.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3714 -3.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 -3.2786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -2.6875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9708 -1.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2583 -3.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 9 10 1 0 0 0 0 2 3 1 0 0 0 0 10 11 1 0 0 0 0 5 6 2 0 0 0 0 11 12 1 0 0 0 0 15 16 1 0 0 0 0 6 1 1 0 0 0 0 13 14 1 0 0 0 0 1 2 2 0 0 0 0 4 7 1 0 0 0 0 3 4 2 0 0 0 0 12 13 1 0 0 0 0 14 15 2 0 0 0 0 16 12 2 0 0 0 0 7 8 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 8 9 1 0 0 0 0 17 19 2 0 0 0 0 M END $$$$ -ISIS- 09230315482D 26 28 0 0 0 0 0 0 0 0999 V2000 -2.2181 -3.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2193 -4.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5044 -4.5194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 -4.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7909 -3.2755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5062 -2.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0792 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6333 -4.1042 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3458 -4.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0583 -4.1042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7708 -4.5167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4833 -4.1000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2392 -4.4315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7881 -3.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3714 -3.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 -3.2786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -2.6875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9708 -1.8625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2583 -3.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7792 -2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -2.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0148 -3.1001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8390 -3.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2524 -2.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8354 -1.6686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0126 -1.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 0 0 0 0 13 14 1 0 0 0 0 1 2 2 0 0 0 0 4 7 1 0 0 0 0 3 4 2 0 0 0 0 12 13 1 0 0 0 0 14 15 2 0 0 0 0 16 12 2 0 0 0 0 7 8 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 8 9 1 0 0 0 0 17 19 2 0 0 0 0 4 5 1 0 0 0 0 15 20 1 0 0 0 0 9 10 1 0 0 0 0 20 21 1 0 0 0 0 2 3 1 0 0 0 0 21 22 2 0 0 0 0 10 11 1 0 0 0 0 22 23 1 0 0 0 0 5 6 2 0 0 0 0 23 24 2 0 0 0 0 11 12 1 0 0 0 0 24 25 1 0 0 0 0 15 16 1 0 0 0 0 25 26 2 0 0 0 0 26 21 1 0 0 0 0 M END $$$$ -ISIS- 09230315492D 15 16 0 0 0 0 0 0 0 0999 V2000 5.4027 -3.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4016 -4.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1164 -5.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8328 -4.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8300 -3.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1146 -3.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6833 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6868 -2.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4338 -2.8153 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4298 -3.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0579 -3.9114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -3.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 -3.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -2.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6458 -3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7 8 2 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 2 3 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 7 1 0 0 0 0 8 9 1 0 0 0 0 5 6 2 0 0 0 0 10 12 1 0 0 0 0 6 1 1 0 0 0 0 12 13 2 0 0 0 0 1 2 2 0 0 0 0 13 14 1 0 0 0 0 1 7 1 0 0 0 0 13 15 1 0 0 0 0 M END $$$$ -ISIS- 09230315492D 16 17 0 0 0 0 0 0 0 0999 V2000 5.4027 -3.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4016 -4.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1164 -5.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8328 -4.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8300 -3.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1146 -3.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6833 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6868 -2.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4338 -2.8153 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4298 -3.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0579 -3.9114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -3.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 -3.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -2.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6458 -3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4125 -3.3750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 2 3 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 7 1 0 0 0 0 8 9 1 0 0 0 0 5 6 2 0 0 0 0 10 12 1 0 0 0 0 6 1 1 0 0 0 0 12 13 2 0 0 0 0 1 2 2 0 0 0 0 13 14 1 0 0 0 0 1 7 1 0 0 0 0 13 15 1 0 0 0 0 7 8 2 0 0 0 0 5 16 1 0 0 0 0 M END $$$$ -ISIS- 09230315502D 19 20 0 0 0 0 0 0 0 0999 V2000 5.4027 -3.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4016 -4.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1164 -5.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8328 -4.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8300 -3.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1146 -3.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6833 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6868 -2.8223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4338 -2.8153 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4298 -3.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0579 -3.9114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -3.9000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2833 -3.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2792 -2.6500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6458 -3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4125 -3.3750 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1250 -3.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1208 -4.6125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5333 -3.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 7 1 0 0 0 0 8 9 1 0 0 0 0 5 6 2 0 0 0 0 10 12 1 0 0 0 0 6 1 1 0 0 0 0 12 13 2 0 0 0 0 1 2 2 0 0 0 0 13 14 1 0 0 0 0 1 7 1 0 0 0 0 13 15 1 0 0 0 0 7 8 2 0 0 0 0 5 16 1 0 0 0 0 3 4 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 4 5 1 0 0 0 0 17 19 1 0 0 0 0 M END $$$$ -ISIS- 09230315512D 22 23 0 0 0 0 0 0 0 0999 V2000 0.6236 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6224 -2.8898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3372 -3.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0537 -2.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0508 -2.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3354 -1.6497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0958 -1.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0923 -0.9181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3453 -0.9112 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3494 -1.6371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7212 -2.0072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9792 -1.9958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4958 -1.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -0.7458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1333 -1.8458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6333 -1.4708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3458 -1.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3417 -2.7083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7542 -1.1667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -3.4208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1583 -4.1333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3375 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11 7 1 0 0 0 0 8 9 1 0 0 0 0 5 6 2 0 0 0 0 10 12 1 0 0 0 0 6 1 1 0 0 0 0 12 13 2 0 0 0 0 1 2 2 0 0 0 0 13 14 1 0 0 0 0 1 7 1 0 0 0 0 13 15 1 0 0 0 0 7 8 2 0 0 0 0 5 16 1 0 0 0 0 3 4 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 4 5 1 0 0 0 0 17 19 1 0 0 0 0 2 3 1 0 0 0 0 18 20 1 0 0 0 0 9 10 1 0 0 0 0 20 21 3 0 0 0 0 10 11 2 0 0 0 0 19 22 1 0 0 0 0 M END $$$$ -ISIS- 09230315522D 22 23 0 0 0 0 0 0 0 0999 V2000 0.6879 -2.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1339 -2.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4637 -2.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -3.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -3.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 -3.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 -2.9708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.9042 -2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3167 -3.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -3.1000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -3.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -3.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1375 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7608 -3.4534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3845 -2.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7630 -2.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1355 -2.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6208 -1.8625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6167 -1.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -2.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 3 6 1 0 0 0 0 12 13 1 0 0 0 0 4 5 1 0 0 0 0 13 14 1 0 0 0 0 6 7 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 2 3 2 0 0 0 0 7 8 1 0 0 0 0 1 2 1 0 0 0 0 7 9 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 15 2 0 0 0 0 16 17 1 0 0 0 0 3 4 1 0 0 0 0 19 20 1 0 0 0 0 5 10 1 0 0 0 0 20 21 1 0 0 0 0 5 1 2 0 0 0 0 20 22 2 0 0 0 0 M END $$$$ -ISIS- 09230315532D 29 31 0 0 0 0 0 0 0 0999 V2000 0.6879 -2.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1339 -2.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4637 -2.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1542 -3.5250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -3.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1833 -3.3833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 -2.9708 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.9042 -2.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3167 -3.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -3.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2875 -3.1000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 -3.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4250 -3.5042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1375 -3.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7608 -3.4534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3845 -2.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7630 -2.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1355 -2.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6208 -1.8625 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6167 -1.1333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9125 -2.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7917 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6167 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0273 -2.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8515 -2.3796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2649 -1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8479 -0.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0251 -0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 7 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 2 3 2 0 0 0 0 7 8 1 0 0 0 0 1 2 1 0 0 0 0 7 9 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 15 2 0 0 0 0 16 17 1 0 0 0 0 3 4 1 0 0 0 0 19 20 1 0 0 0 0 5 10 1 0 0 0 0 20 21 1 0 0 0 0 5 1 2 0 0 0 0 20 22 2 0 0 0 0 10 11 1 0 0 0 0 17 23 1 0 0 0 0 23 24 1 0 0 0 0 11 12 1 0 0 0 0 24 25 2 0 0 0 0 3 6 1 0 0 0 0 25 26 1 0 0 0 0 12 13 1 0 0 0 0 26 27 2 0 0 0 0 4 5 1 0 0 0 0 27 28 1 0 0 0 0 13 14 1 0 0 0 0 28 29 2 0 0 0 0 29 24 1 0 0 0 0 M END $$$$ -ISIS- 09230315542D 24 26 0 0 0 0 0 0 0 0999 V2000 1.9361 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9349 -4.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6497 -4.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3662 -4.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3633 -3.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6479 -3.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 -3.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8713 -4.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6773 -4.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0892 -3.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5364 -3.2829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2833 -5.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -5.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 -5.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -3.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1298 -2.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -2.2107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 -2.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4581 -3.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9292 -2.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -3.6417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.1333 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0625 -4.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11 12 1 0 0 0 0 12 8 1 0 0 0 0 6 1 1 0 0 0 0 9 13 1 0 0 0 0 1 2 2 0 0 0 0 13 14 2 0 0 0 0 5 7 1 0 0 0 0 13 15 2 0 0 0 0 3 4 2 0 0 0 0 1 16 1 0 0 0 0 17 18 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 4 5 1 0 0 0 0 16 17 2 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 16 1 0 0 0 0 2 3 1 0 0 0 0 19 21 1 0 0 0 0 5 6 2 0 0 0 0 21 22 1 0 0 0 0 8 9 2 0 0 0 0 22 23 1 0 0 0 0 10 11 2 0 0 0 0 22 24 1 0 0 0 0 M END $$$$ -ISIS- 09230315552D 25 27 0 0 0 0 0 0 0 0999 V2000 1.9361 -3.6250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9349 -4.4523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6497 -4.8652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3662 -4.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3633 -3.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6479 -3.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 -3.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8713 -4.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6773 -4.6085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0892 -3.8943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5364 -3.2829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2833 -5.0167 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2792 -5.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 -5.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2167 -3.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2206 -2.3759 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -1.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2195 -2.3741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2179 -3.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5012 -3.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9375 -3.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6542 -3.2042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.6583 -2.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0708 -3.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12 8 1 0 0 0 0 6 1 1 0 0 0 0 9 13 1 0 0 0 0 1 2 2 0 0 0 0 13 14 2 0 0 0 0 5 7 1 0 0 0 0 13 15 2 0 0 0 0 3 4 2 0 0 0 0 1 16 1 0 0 0 0 7 8 1 0 0 0 0 16 17 2 0 0 0 0 9 10 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 4 5 1 0 0 0 0 19 20 1 0 0 0 0 2 3 1 0 0 0 0 20 21 2 0 0 0 0 21 16 1 0 0 0 0 5 6 2 0 0 0 0 20 22 1 0 0 0 0 8 9 2 0 0 0 0 22 23 1 0 0 0 0 10 11 2 0 0 0 0 23 24 1 0 0 0 0 11 12 1 0 0 0 0 23 25 1 0 0 0 0 M END $$$$ -ISIS- 09230315562D 21 22 0 0 0 0 0 0 0 0999 V2000 -3.0625 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3505 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6385 -2.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.6385 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3505 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2167 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9289 -3.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4971 -3.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2088 -2.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2073 -1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 -1.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -1.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9208 -3.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6333 -2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3458 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0583 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7708 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4833 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1958 -2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 10 11 2 0 0 0 0 4 5 1 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 7 1 0 0 0 0 4 8 1 0 0 0 0 10 14 1 0 0 0 0 14 15 1 0 0 0 0 1 2 1 0 0 0 0 15 16 1 0 0 0 0 7 8 1 0 0 0 0 16 17 1 0 0 0 0 1 6 1 0 0 0 0 17 18 1 0 0 0 0 7 9 2 0 0 0 0 18 19 1 0 0 0 0 2 3 1 0 0 0 0 19 20 1 0 0 0 0 9 10 1 0 0 0 0 19 21 2 0 0 0 0 M END $$$$ -ISIS- 09230315562D 26 28 0 0 0 0 0 0 0 0999 V2000 -3.0625 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3505 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6385 -2.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.6385 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3505 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2167 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9289 -3.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4971 -3.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2088 -2.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2073 -1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 -1.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -1.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9208 -3.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6333 -2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3458 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0583 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7708 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4833 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1958 -2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 -1.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1957 -3.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9074 -4.2264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6182 -3.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6129 -2.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9007 -2.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12 13 2 0 0 0 0 13 7 1 0 0 0 0 4 8 1 0 0 0 0 10 14 1 0 0 0 0 14 15 1 0 0 0 0 1 2 1 0 0 0 0 15 16 1 0 0 0 0 7 8 1 0 0 0 0 16 17 1 0 0 0 0 1 6 1 0 0 0 0 17 18 1 0 0 0 0 7 9 2 0 0 0 0 18 19 1 0 0 0 0 2 3 1 0 0 0 0 19 20 1 0 0 0 0 9 10 1 0 0 0 0 19 21 2 0 0 0 0 3 4 1 0 0 0 0 20 22 2 0 0 0 0 10 11 2 0 0 0 0 22 23 1 0 0 0 0 4 5 1 0 0 0 0 23 24 2 0 0 0 0 11 12 1 0 0 0 0 24 25 1 0 0 0 0 5 6 1 0 0 0 0 25 26 2 0 0 0 0 26 20 1 0 0 0 0 M END $$$$ -ISIS- 09230315562D 18 19 0 0 0 0 0 0 0 0999 V2000 -3.0625 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3505 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6385 -2.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.6385 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3505 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2167 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9289 -3.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4971 -3.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2088 -2.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2073 -1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 -1.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -1.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9208 -3.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6333 -2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3458 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0583 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7708 -3.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7 9 2 0 0 0 0 2 3 1 0 0 0 0 9 10 1 0 0 0 0 3 4 1 0 0 0 0 10 11 2 0 0 0 0 4 5 1 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 7 1 0 0 0 0 4 8 1 0 0 0 0 10 14 1 0 0 0 0 14 15 1 0 0 0 0 1 2 1 0 0 0 0 15 16 1 0 0 0 0 7 8 1 0 0 0 0 16 17 1 0 0 0 0 1 6 1 0 0 0 0 17 18 1 0 0 0 0 M END $$$$ -ISIS- 09230315572D 24 26 0 0 0 0 0 0 0 0999 V2000 -3.0625 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3505 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6385 -2.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.6385 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3505 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2167 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9289 -3.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4971 -3.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2088 -2.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2073 -1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 -1.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -1.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9208 -3.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6333 -2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3458 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0583 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7708 -3.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4833 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2000 -2.9992 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9120 -2.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9078 -1.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1857 -1.3484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4767 -1.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 7 1 0 0 0 0 4 8 1 0 0 0 0 10 14 1 0 0 0 0 14 15 1 0 0 0 0 1 2 1 0 0 0 0 15 16 1 0 0 0 0 7 8 1 0 0 0 0 16 17 1 0 0 0 0 1 6 1 0 0 0 0 17 18 1 0 0 0 0 7 9 2 0 0 0 0 18 19 1 0 0 0 0 2 3 1 0 0 0 0 19 20 2 0 0 0 0 9 10 1 0 0 0 0 20 21 1 0 0 0 0 3 4 1 0 0 0 0 21 22 2 0 0 0 0 10 11 2 0 0 0 0 22 23 1 0 0 0 0 4 5 1 0 0 0 0 23 24 2 0 0 0 0 24 19 1 0 0 0 0 M END $$$$ -ISIS- 09230315572D 23 25 0 0 0 0 0 0 0 0999 V2000 -3.0625 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3505 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6385 -2.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.6385 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3505 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2167 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9289 -3.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4971 -3.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2088 -2.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2073 -1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 -1.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -1.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9208 -3.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6333 -2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3458 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0583 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7708 -3.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4833 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1080 -2.9467 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7281 -1.8682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1035 -1.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4766 -1.8684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 11 12 1 0 0 0 0 5 6 1 0 0 0 0 12 13 2 0 0 0 0 13 7 1 0 0 0 0 4 8 1 0 0 0 0 10 14 1 0 0 0 0 14 15 1 0 0 0 0 1 2 1 0 0 0 0 15 16 1 0 0 0 0 7 8 1 0 0 0 0 16 17 1 0 0 0 0 1 6 1 0 0 0 0 17 18 1 0 0 0 0 7 9 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 2 3 1 0 0 0 0 9 10 1 0 0 0 0 3 4 1 0 0 0 0 10 11 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 19 2 0 0 0 0 20 21 1 0 0 0 0 M END $$$$ -ISIS- 09230315582D 27 30 0 0 0 0 0 0 0 0999 V2000 -3.0625 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3505 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6385 -2.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.6385 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3505 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2167 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9289 -3.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4971 -3.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2088 -2.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2073 -1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 -1.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -1.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9208 -3.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6333 -2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3458 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0583 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7708 -3.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4833 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1080 -2.9467 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4766 -1.8684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1035 -1.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7249 -1.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3446 -1.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3439 -0.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7184 -0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1012 -0.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13 7 1 0 0 0 0 4 8 1 0 0 0 0 10 14 1 0 0 0 0 14 15 1 0 0 0 0 1 2 1 0 0 0 0 15 16 1 0 0 0 0 7 8 1 0 0 0 0 16 17 1 0 0 0 0 1 6 1 0 0 0 0 17 18 1 0 0 0 0 7 9 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 2 3 1 0 0 0 0 9 10 1 0 0 0 0 22 21 1 0 0 0 0 21 19 2 0 0 0 0 20 23 1 0 0 0 0 3 4 1 0 0 0 0 10 11 2 0 0 0 0 22 23 2 0 0 0 0 4 5 1 0 0 0 0 23 24 1 0 0 0 0 11 12 1 0 0 0 0 24 25 2 0 0 0 0 5 6 1 0 0 0 0 25 26 1 0 0 0 0 12 13 2 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 M END $$$$ -ISIS- 09230315582D 27 30 0 0 0 0 0 0 0 0999 V2000 -3.0625 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3505 -3.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6385 -2.6042 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -1.6385 -1.7792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3505 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2167 -2.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9289 -3.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4971 -3.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2088 -2.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2073 -1.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4880 -1.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2208 -1.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9208 -3.0083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6333 -2.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3458 -3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0583 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7708 -3.0042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4833 -2.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1080 -2.9467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4766 -1.8684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1035 -1.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7249 -1.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3446 -1.5092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3439 -0.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7184 -0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1012 -0.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13 7 1 0 0 0 0 4 8 1 0 0 0 0 10 14 1 0 0 0 0 14 15 1 0 0 0 0 1 2 1 0 0 0 0 15 16 1 0 0 0 0 7 8 1 0 0 0 0 16 17 1 0 0 0 0 1 6 1 0 0 0 0 17 18 1 0 0 0 0 7 9 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 2 3 1 0 0 0 0 9 10 1 0 0 0 0 22 21 1 0 0 0 0 21 19 2 0 0 0 0 20 23 1 0 0 0 0 3 4 1 0 0 0 0 10 11 2 0 0 0 0 22 23 2 0 0 0 0 4 5 1 0 0 0 0 23 24 1 0 0 0 0 11 12 1 0 0 0 0 24 25 2 0 0 0 0 5 6 1 0 0 0 0 25 26 1 0 0 0 0 12 13 2 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 M END $$$$ -ISIS- 09230316042D 5 4 0 0 0 0 0 0 0 0999 V2000 -2.9375 -2.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2250 -1.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 -2.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -1.8292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5167 -3.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 3 5 2 0 0 0 0 M END $$$$ -ISIS- 09230316042D 6 6 0 0 0 0 0 0 0 0999 V2000 -0.2473 -1.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2484 -2.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4664 -2.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1828 -2.4227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -1.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4646 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 2 3 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 M END $$$$ -ISIS- 09230316042D 6 5 0 0 0 0 0 0 0 0999 V2000 -3.7792 -1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0667 -1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3542 -1.4958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6417 -1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9292 -1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3583 -2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 2 3 1 0 0 0 0 3 6 1 0 0 0 0 M END $$$$ -ISIS- 09230316042D 7 6 0 0 0 0 0 0 0 0999 V2000 -3.7792 -1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0667 -1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3542 -1.4958 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6417 -1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9292 -1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3583 -2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2167 -1.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 2 3 1 0 0 0 0 3 6 1 0 0 0 0 1 2 1 0 0 0 0 5 7 1 0 0 0 0 M END $$$$ -ISIS- 09230316062D 4 3 0 0 0 0 0 0 0 0999 V2000 -4.7167 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0042 -0.9917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2917 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0083 -0.1667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 1 2 1 0 0 0 0 2 4 1 0 0 0 0 M END $$$$ -ISIS- 09230316062D 5 4 0 0 0 0 0 0 0 0999 V2000 -4.7167 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0042 -0.9917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2917 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0083 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5792 -0.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 1 2 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 M END $$$$ -ISIS- 09230316062D 6 5 0 0 0 0 0 0 0 0999 V2000 -4.7167 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0042 -0.9917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2917 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0083 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5792 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8667 -1.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 2 3 1 0 0 0 0 5 6 1 0 0 0 0 M END $$$$ -ISIS- 09230316072D 6 5 0 0 0 0 0 0 0 0999 V2000 -4.7167 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0042 -0.9917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2917 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0083 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5792 -0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0083 -1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 M END $$$$ -ISIS- 09230316072D 6 5 0 0 0 0 0 0 0 0999 V2000 -4.7167 -1.4042 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.0042 -0.9917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2917 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0083 -0.1667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5792 -0.9875 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.0083 -1.8167 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 M END $$$$ -ISIS- 09230316082D 5 4 0 0 0 0 0 0 0 0999 V2000 -4.7167 -1.4042 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.0042 -0.9917 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2917 -1.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0083 -0.1667 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.0083 -1.8167 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 1 2 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 M END $$$$ -ISIS- 09230316082D 5 4 0 0 0 0 0 0 0 0999 V2000 -2.5958 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8833 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -1.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -1.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 M END $$$$ -ISIS- 09230316092D 10 9 0 0 0 0 0 0 0 0999 V2000 -2.5958 -1.3417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8833 -0.9292 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1708 -1.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -0.9250 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2542 -1.3333 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4625 -0.1000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.3000 -0.3417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4708 -0.3417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 -2.1667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4208 -1.3417 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 4 6 1 0 0 0 0 1 2 1 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 2 8 1 0 0 0 0 1 9 1 0 0 0 0 4 5 1 0 0 0 0 1 10 1 0 0 0 0 M END $$$$ -ISIS- 09230316092D 3 2 0 0 0 0 0 0 0 0999 V2000 -2.5625 -7.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8500 -7.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2667 -7.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 M END $$$$ -ISIS- 09230316102D 8 7 0 0 0 0 0 0 0 0999 V2000 -2.5958 -1.3417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8833 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -1.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 -2.1667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4208 -1.3417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 -1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 -0.5417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 4 7 2 0 0 0 0 3 4 1 0 0 0 0 1 8 1 0 0 0 0 M END $$$$ -ISIS- 09230316102D 8 7 0 0 0 0 0 0 0 0999 V2000 -2.5958 -1.3417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8833 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -1.3375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4583 -0.9250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 -2.1667 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.4208 -1.3417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 -0.5417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -2.1625 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 M END $$$$ -ISIS- 09230316112D 7 6 0 0 0 0 0 0 0 0999 V2000 0.4042 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -4.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -4.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -4.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6792 -4.7000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 2 3 1 0 0 0 0 5 6 1 0 0 0 0 1 2 1 0 0 0 0 6 7 1 0 0 0 0 M END $$$$ -ISIS- 09230316112D 6 5 0 0 0 0 0 0 0 0999 V2000 0.4042 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -4.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -4.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -4.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9667 -4.2917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 2 3 1 0 0 0 0 5 6 1 0 0 0 0 M END $$$$ ABtkserver05010412202D 0 0.00000 0.00000??? 12 11 0 0 0 0 0 0 0 0999 V2000 50.0000 143.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 117.5000 104.0289 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 75.0000 115.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 95.0000 153.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 115.0067 193.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 113.0000 238.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 154.9479 172.5787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 192.8706 196.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 190.8521 241.7588 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 232.8118 176.0748 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 123.6684 166.7866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 168.1071 209.6563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 4 1 0 0 0 0 2 4 1 0 0 0 0 1 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 5 11 1 0 0 0 0 8 12 1 0 0 0 0 M END $$$$ -ISIS- 09230316112D 1 0 0 0 0 0 0 0 0 0999 V2000 3.7458 -9.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 M END $$$$ -ISIS- 09230316112D 6 6 0 0 0 0 0 0 0 0999 V2000 -0.8417 -11.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0167 -11.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2401 -10.5492 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4292 -10.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0942 -10.5492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 -10.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 1 1 0 0 0 0 1 2 1 0 0 0 0 3 6 1 0 0 0 0 M END $$$$ -ISIS- 09230316122D 2 1 0 0 0 0 0 0 0 0999 V2000 3.4958 1.5333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3208 1.5333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 0 0 0 M END $$$$ -ISIS- 09230316122D 5 4 0 0 0 0 0 0 0 0999 V2000 0.4042 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -4.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -4.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -4.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -4.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 M END $$$$ -ISIS- 09230316122D 4 3 0 0 0 0 0 0 0 0999 V2000 0.4042 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -4.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -4.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -4.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 1 2 1 0 0 0 0 3 4 1 0 0 0 0 M END $$$$ -ISIS- 09230316122D 4 3 0 0 0 0 0 0 0 0999 V2000 0.4042 -4.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1167 -4.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8292 -4.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 -3.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 1 2 1 0 0 0 0 2 4 2 0 0 0 0 M END $$$$ -ISIS- 09230316132D 8 7 0 0 0 0 0 0 0 0999 V2000 -2.5958 -1.3417 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8833 -0.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -1.3375 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4583 -0.9250 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6000 -2.1667 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.8125 -0.5417 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 -2.1625 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.4583 -1.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 1 6 1 0 0 0 0 1 2 1 0 0 0 0 3 7 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 M END $$$$ -ISIS- 09230316142D 7 7 0 0 0 0 0 0 0 0999 V2000 7.1527 -3.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1516 -4.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8664 -4.8027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5828 -4.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5800 -3.5588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8646 -3.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8583 -2.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 2 3 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 1 2 2 0 0 0 0 6 7 1 0 0 0 0 M END $$$$ -ISIS- 09230316142D 5 4 0 0 0 0 0 0 0 0999 V2000 4.8083 -7.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -7.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8167 -8.1583 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.3167 -6.9458 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.2208 -7.7333 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 0 1 2 2 0 0 0 0 2 4 1 0 0 0 0 1 5 1 0 0 0 0 M END $$$$