BT8H2D -OEChem-04022109212D 56 60 0 1 0 0 0 0 0999 V2000 2.0000 -2.2173 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.7320 -5.6814 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -5.3154 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -4.3154 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2173 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.7827 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -3.9494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 -2.2173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2320 -3.0834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 1.7480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7224 4.8135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.2173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7224 4.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2191 5.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -3.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -1.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -4.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8583 4.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 -3.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 3.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 3.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 3.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.2618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2823 5.2502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8324 4.2072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3042 5.0316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6925 6.0818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7426 6.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7571 -2.6848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7571 -3.4819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0420 -4.4863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -1.2424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -1.2424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.5927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.4727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5420 -3.6203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5420 -2.5464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 4.4373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 1.9498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.5927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 21 1 0 0 0 0 3 21 1 0 0 0 0 4 21 1 0 0 0 0 5 25 1 0 0 0 0 6 36 1 0 0 0 0 7 18 1 0 0 0 0 7 23 1 0 0 0 0 8 14 1 0 0 0 0 8 23 2 0 0 0 0 9 23 1 0 0 0 0 9 52 1 0 0 0 0 9 53 1 0 0 0 0 10 26 1 0 0 0 0 10 31 1 0 0 0 0 10 51 1 0 0 0 0 11 32 1 0 0 0 0 11 35 2 0 0 0 0 12 31 2 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 22 1 0 0 0 0 13 38 1 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 6 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 21 1 6 0 0 0 18 45 1 0 0 0 0 19 24 1 0 0 0 0 19 25 2 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 22 29 3 0 0 0 0 24 26 2 0 0 0 0 24 48 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 30 34 2 0 0 0 0 30 35 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 33 36 1 0 0 0 0 34 54 1 0 0 0 0 35 55 1 0 0 0 0 36 37 2 0 0 0 0 37 56 1 0 0 0 0 M END $$$$