B7H4JI -OEChem-04022100582D 38 39 0 1 0 0 0 0 0999 V2000 2.3660 1.9016 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 0.6415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1373 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.0570 0.9505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 1.9016 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7576 2.0308 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3203 1.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0634 1.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3692 1.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 0.9505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0145 1.3617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -3.1122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -3.1122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -1.2450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -0.5547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -2.0296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -2.7199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -3.1742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.9473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -2.1004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0292 0.4542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8089 0.6199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3545 2.2182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5749 2.0524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6603 1.8580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8807 1.6923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7234 0.8143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5031 0.9800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3473 1.8392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6287 2.6373 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 16 1 0 0 0 0 2 17 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 13 1 0 0 0 0 4 12 2 0 0 0 0 5 17 2 0 0 0 0 6 18 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 25 1 0 0 0 0 12 17 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 18 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 M END $$$$