B3I8TD -OEChem-04012118092D 65 69 0 1 0 0 0 0 0999 V2000 11.4200 -3.1577 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.2501 -1.7537 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.0161 -3.3275 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.2070 -3.7747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0370 -2.3707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8030 -3.9446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2241 -0.7124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8077 -1.5172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2241 -2.3219 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5348 0.2381 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.4853 -0.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5842 0.5488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1518 1.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2722 -0.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2779 -1.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0558 1.3977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1418 0.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7788 1.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2779 -2.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2001 -0.3166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1314 -1.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4119 -0.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7588 1.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3958 2.7398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8461 -1.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9870 -0.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9184 -2.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0564 1.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4119 -2.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3858 2.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5458 -1.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6331 -2.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5458 -2.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5279 2.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9989 3.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5284 2.1803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4704 3.9446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4710 3.9114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0298 0.2239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1933 -0.6195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9860 0.3859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5688 -0.0710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3478 1.9446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3731 0.3089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1650 2.0402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2874 0.2972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5562 -1.9109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4119 0.1029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3727 1.5838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1646 3.3151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5623 -0.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8310 -2.9104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7643 0.8176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4119 -3.1372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7684 3.0868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0089 -0.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0089 -2.3272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6186 3.1162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2364 1.6334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7625 4.4916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3803 3.0088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7822 -3.5434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6509 -2.4581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 4.4378 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 1 6 2 0 0 0 0 1 32 1 0 0 0 0 2 32 1 0 0 0 0 3 32 1 0 0 0 0 4 63 1 0 0 0 0 5 64 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 8 9 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 16 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 20 2 0 0 0 0 14 21 1 0 0 0 0 15 19 1 0 0 0 0 15 22 2 0 0 0 0 16 28 2 0 0 0 0 16 44 1 0 0 0 0 17 23 1 0 0 0 0 17 45 1 0 0 0 0 18 24 2 0 0 0 0 18 46 1 0 0 0 0 19 29 2 0 0 0 0 20 26 1 0 0 0 0 20 47 1 0 0 0 0 21 27 2 0 0 0 0 21 48 1 0 0 0 0 22 31 1 0 0 0 0 22 49 1 0 0 0 0 23 30 2 0 0 0 0 23 50 1 0 0 0 0 24 30 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 25 32 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 28 34 1 0 0 0 0 28 54 1 0 0 0 0 29 33 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 31 33 2 0 0 0 0 31 57 1 0 0 0 0 33 58 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 35 59 1 0 0 0 0 36 38 2 0 0 0 0 36 60 1 0 0 0 0 37 39 2 0 0 0 0 37 61 1 0 0 0 0 38 39 1 0 0 0 0 38 62 1 0 0 0 0 39 65 1 0 0 0 0 M END $$$$