B91SJZ -OEChem-04022100582D 32 33 0 1 0 0 0 0 0999 V2000 2.3660 2.0816 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 0.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9572 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.0570 1.1306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 2.0816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0634 1.8508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 1.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3692 1.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3203 1.1816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -2.9322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -2.9322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -1.0649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -0.3746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -1.8496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -2.5398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -2.9942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.7672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -1.9203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6603 2.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8807 1.8724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 0.6342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8089 0.7999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6531 1.6592 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9345 2.4572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 12 1 0 0 0 0 4 13 2 0 0 0 0 5 14 2 0 0 0 0 6 16 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 M END $$$$