B2M1IU -OEChem-04022108533D 34 35 0 1 0 0 0 0 0999 V2000 -4.1638 1.1221 -0.5726 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7868 -1.3406 -0.0611 P 0 0 0 0 0 0 0 0 0 0 0 0 0.3259 1.0044 -1.1313 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3795 3.8920 -0.3261 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6250 2.8797 1.2216 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8235 -0.1660 -0.6217 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8779 -2.0843 1.0507 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8685 -0.5287 0.8254 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3733 -2.2354 -1.1135 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2525 -3.6445 0.3836 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6286 0.0509 -0.2738 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5295 -1.3912 -0.0623 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6765 2.7321 0.4509 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5992 1.9998 0.8099 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3769 1.7278 -0.4542 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9286 1.2851 -0.4893 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2295 0.7225 0.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0442 -0.1019 -0.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8453 -1.0836 -0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3217 -2.3106 0.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7799 -2.5297 0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2616 3.0523 1.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4027 1.2929 1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9774 2.2138 -1.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5046 1.9257 -1.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6515 0.1589 1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0221 1.2565 0.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0433 3.6179 -1.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4306 2.3499 1.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2266 -0.9738 -0.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5392 -1.5053 -0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 -3.1550 0.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2278 -2.8892 1.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6299 -1.0150 1.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 9 2 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 13 1 0 0 0 0 4 28 1 0 0 0 0 5 14 1 0 0 0 0 5 29 1 0 0 0 0 6 17 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 10 21 2 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 18 1 0 0 0 0 12 21 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 19 20 2 0 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 M END $$$$