B8CSA6 -OEChem-04022107172D 57 60 0 1 0 0 0 0 0999 V2000 8.0901 1.1082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 -0.9611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 0.6010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0525 2.1177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1807 3.6144 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.5944 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9962 -0.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8602 1.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 1.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4602 0.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5884 2.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3205 2.1110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3243 1.1111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4525 2.6077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1846 2.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9926 1.2144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2052 -1.0310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6070 -0.3412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2569 1.5742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4599 1.5711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.6936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.8836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -2.5090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -1.8188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.7364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4626 -0.0123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0503 2.4123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.1164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8625 0.8031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4501 3.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.7364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5882 2.4298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0549 1.4977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7164 3.9264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 3 14 1 0 0 0 0 3 22 1 0 0 0 0 4 21 2 0 0 0 0 5 29 1 0 0 0 0 5 54 1 0 0 0 0 6 29 2 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 7 21 1 0 0 0 0 8 34 1 0 0 0 0 8 55 1 0 0 0 0 8 56 1 0 0 0 0 9 34 2 0 0 0 0 9 57 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 1 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 16 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 29 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 23 45 1 0 0 0 0 24 28 2 0 0 0 0 24 46 1 0 0 0 0 25 31 1 0 0 0 0 25 47 1 0 0 0 0 26 32 2 0 0 0 0 26 48 1 0 0 0 0 27 33 2 0 0 0 0 27 49 1 0 0 0 0 28 33 1 0 0 0 0 28 50 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 30 34 1 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 M END $$$$