BN3YQ0 -OEChem-04012114483D 40 42 0 1 0 0 0 0 0999 V2000 1.6422 -0.0043 2.4226 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.3517 -1.8160 -0.1933 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0558 0.1861 -2.1582 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1216 -2.7203 1.5236 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8935 -0.0946 0.1042 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1609 0.1189 -1.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7179 -1.5403 0.5718 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3532 0.3102 0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2573 -0.3811 -1.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2497 -1.8985 0.6854 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7083 -1.2795 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3155 -0.6258 -0.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7330 1.6179 0.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6577 -0.2540 -0.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0753 1.9898 0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1354 -0.2464 0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0375 1.0538 -0.1335 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0868 0.2261 -0.7806 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 0.5061 1.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7150 1.4511 -0.5556 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4767 -0.5339 -2.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4400 1.7311 1.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3915 2.2035 0.5735 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4154 0.5460 0.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1701 1.1923 -1.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6867 -0.3853 -2.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1485 -2.2729 -0.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1820 -1.6762 1.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0645 -1.6460 -0.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9927 2.3572 0.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4068 -0.9807 -0.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3710 3.0083 0.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5037 0.7554 -2.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0824 1.3437 -0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4588 1.8372 -1.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9082 -1.5048 -1.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6189 -0.6801 -2.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2369 -0.0011 -2.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2007 2.3319 2.3513 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8803 3.1575 0.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 11 1 0 0 0 0 2 16 1 0 0 0 0 3 9 1 0 0 0 0 3 33 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 24 1 0 0 0 0 6 9 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 10 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 11 2 0 0 0 0 10 11 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 13 15 2 0 0 0 0 13 30 1 0 0 0 0 14 17 2 0 0 0 0 14 31 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 34 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 20 23 2 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$