B3VL7E -OEChem-04022115133D 36 36 0 1 0 0 0 0 0999 V2000 -0.4643 -1.1277 -0.6916 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5647 -1.8790 0.5444 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1306 -1.5869 -1.8951 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4753 -2.0908 1.4438 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3217 -3.1147 -0.2188 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1151 2.4721 1.3720 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1715 -0.8382 -1.0656 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8694 1.5152 -0.7370 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1473 -0.7002 0.0424 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0270 0.5287 -0.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3040 0.1843 -0.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4808 0.4563 -0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6326 -2.0918 0.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8724 -0.0330 1.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4429 0.8784 -0.9371 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8114 2.5515 0.1845 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2265 -0.1005 1.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7968 0.8110 -0.6086 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1886 0.3215 0.6376 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3464 3.8436 -0.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6509 -0.2747 0.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3994 -0.3549 -1.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4495 0.9495 0.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8517 1.1286 -1.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0667 0.2499 0.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7897 -0.2272 -1.2983 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5905 1.6951 -1.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1377 -0.3454 1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1519 1.2603 -1.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5314 -0.4767 2.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5461 1.1395 -1.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2428 0.2701 0.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7897 -2.9942 1.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1251 4.2345 -1.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1410 4.5745 0.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4295 3.6795 -1.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 4 13 1 0 0 0 0 4 33 1 0 0 0 0 5 13 2 0 0 0 0 6 16 2 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 21 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 14 17 1 0 0 0 0 14 28 1 0 0 0 0 15 18 2 0 0 0 0 15 29 1 0 0 0 0 16 20 1 0 0 0 0 17 19 2 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 M END $$$$