B3HXC4 -OEChem-04022100412D 44 46 0 1 0 0 0 0 0999 V2000 2.8660 0.9746 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0254 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0296 2.4361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.0254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.9746 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 -0.3301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3241 0.4746 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.4746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 -0.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7404 1.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0511 2.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 1.5572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 0.8669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.9496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.9496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -1.0003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -1.0003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.4496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.4496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.8354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.4496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.4496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0305 2.8495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4373 2.3172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.8354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.8354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2222 3.0254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 23 1 0 0 0 0 3 16 2 0 0 0 0 4 20 1 0 0 0 0 4 43 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 8 17 2 0 0 0 0 15 9 1 6 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 18 1 0 0 0 0 15 34 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 25 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 44 1 0 0 0 0 M END $$$$