B68NET -OEChem-04022101443D 40 42 0 0 0 0 0 0 0999 V2000 -4.0457 -0.2942 -0.6622 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8905 2.4264 1.1619 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3609 2.3883 2.5367 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2311 3.6193 0.6574 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9814 -1.9363 0.2031 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3850 1.6756 -1.5969 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6295 0.0839 -0.5554 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1835 2.0277 0.1219 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2079 1.0765 0.9159 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0695 -0.2224 1.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8688 -1.2548 1.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3934 1.3534 0.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 -0.9581 0.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3162 0.3381 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9479 1.8728 -1.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2573 -0.5191 2.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -2.5535 1.5914 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6374 0.4513 -1.6973 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5162 -1.8152 2.5074 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5935 -2.8304 2.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5471 0.6552 -0.7119 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5306 -0.5873 -1.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4203 0.1832 -2.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2071 -1.8942 -1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0965 -1.1237 -2.6883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9899 -2.1625 -2.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6119 2.3604 -0.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0294 1.5909 0.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8464 2.2007 -1.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 2.5555 -1.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0408 0.2025 2.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2818 -3.3805 1.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4422 -2.0341 3.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -3.8387 2.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2823 0.9809 -2.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5363 -2.7889 0.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8916 -2.7150 -1.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8507 -1.3322 -3.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7371 -3.1801 -2.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2179 1.8825 -2.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 5 13 1 0 0 0 0 5 36 1 0 0 0 0 6 21 1 0 0 0 0 6 40 1 0 0 0 0 7 21 2 0 0 0 0 8 15 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 11 1 0 0 0 0 10 16 2 0 0 0 0 11 13 1 0 0 0 0 11 17 2 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 13 14 2 0 0 0 0 14 21 1 0 0 0 0 15 18 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 19 1 0 0 0 0 16 31 1 0 0 0 0 17 20 1 0 0 0 0 17 32 1 0 0 0 0 18 22 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 22 24 2 0 0 0 0 23 25 1 0 0 0 0 23 35 1 0 0 0 0 24 26 1 0 0 0 0 24 37 1 0 0 0 0 25 26 2 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 M END $$$$