B4IHQ7 -OEChem-04042104363D 41 43 0 0 0 0 0 0 0999 V2000 -2.7331 -1.9135 0.9616 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1065 -0.6546 -1.8753 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4205 0.1510 0.1872 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2527 -2.1961 -0.1144 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4007 2.1763 1.0284 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2854 0.1460 1.2233 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2473 1.3669 1.7387 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9547 1.8464 -0.9672 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5212 1.3974 -0.7198 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1058 0.5751 -0.2669 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9153 1.4246 0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1141 1.7211 0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1571 0.6624 -1.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4275 1.3099 0.7055 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4705 0.2512 -1.4657 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4683 0.1482 -0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7392 -1.0783 0.5747 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2309 -0.9219 -0.6856 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5177 0.9824 -0.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0594 -1.4707 0.7953 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8379 0.5900 -0.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1088 -0.6365 0.4096 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7994 -2.5556 1.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6048 -3.3215 -0.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2887 1.5564 -1.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9367 2.9450 -0.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3968 2.2995 1.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3253 0.4030 -2.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9085 1.5718 1.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9847 -0.3215 -2.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3255 1.9425 -0.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2861 -2.4234 1.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6550 1.2394 -0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1369 -0.9419 0.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3614 -1.6954 1.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6537 -2.9321 1.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0361 -3.3354 1.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7016 -3.9032 -1.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0336 -2.9812 -1.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3374 -3.9471 -0.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1176 -2.7125 1.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 41 1 0 0 0 0 2 18 2 0 0 0 0 3 6 1 0 0 0 0 3 11 1 0 0 0 0 3 18 1 0 0 0 0 4 18 1 0 0 0 0 4 23 1 0 0 0 0 4 24 1 0 0 0 0 5 7 1 0 0 0 0 5 11 2 0 0 0 0 6 7 2 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 13 15 2 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 19 2 0 0 0 0 17 20 2 0 0 0 0 19 21 1 0 0 0 0 19 31 1 0 0 0 0 20 22 1 0 0 0 0 20 32 1 0 0 0 0 21 22 2 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$