B9TC2A -OEChem-04012113212D 42 44 0 1 0 0 0 0 0999 V2000 3.7320 -0.2505 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -0.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -0.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7495 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.7026 2.2441 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 2.4520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 0.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9595 2.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 1.5859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1674 3.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0084 2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4242 4.5605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2653 3.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4732 4.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.7245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.7245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6405 0.2363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.2865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.2126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.4405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.4405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7974 1.5211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.0605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.0605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7570 4.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8795 1.9977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5531 5.1669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6756 3.0817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0124 4.6663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -4.5605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.5605 0.0000 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 4 1 0 0 0 0 1 10 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 6 16 2 0 0 0 0 7 19 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 11 2 0 0 0 0 9 12 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 20 2 0 0 0 0 13 21 1 0 0 0 0 14 17 1 0 0 0 0 14 31 1 0 0 0 0 15 18 2 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 19 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 24 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$