B5XMR7 -OEChem-04022106533D 85 91 0 0 0 0 0 0 0999 V2000 9.6884 -5.2542 -0.8746 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2638 0.6660 2.5438 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1392 -0.5730 -2.0284 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0112 -0.3977 -0.0213 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1557 -3.2210 0.1154 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5978 2.2685 -0.1557 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 1.3968 -0.0560 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9848 4.6496 -0.3634 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8925 5.9028 -0.4111 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2444 4.8500 -0.2669 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6332 -0.1175 0.2218 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.3799 -2.1598 -1.1285 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3664 -0.9484 -0.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0242 1.7537 -0.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8121 0.4992 1.1252 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7491 0.2950 -1.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3804 1.0399 1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3149 0.8278 -1.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5648 -1.8832 -1.2102 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6178 -1.7011 1.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9417 -2.5433 -1.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9940 -2.3663 1.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1973 3.5680 -0.2527 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5234 -4.5659 0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8142 3.5453 -0.2137 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4937 2.1804 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7221 -5.1914 1.4935 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 4.7694 -0.2975 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8188 1.5917 -0.0078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2406 5.7742 -0.4366 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4215 1.4070 1.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4868 1.2070 -1.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6923 0.8377 1.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7574 0.6377 -1.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3602 0.4530 0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4245 -0.5826 -0.8357 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7329 -1.1680 -0.4416 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5640 -2.4771 -0.5017 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0579 1.7395 3.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6671 -1.6547 0.6223 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5049 -0.8339 0.6472 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8895 -2.7854 -2.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5413 -3.4196 -0.8402 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8003 -1.7772 1.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6568 -3.5230 -0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7863 -2.7154 1.1241 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1019 -0.1339 -0.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6471 2.6527 -0.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5241 1.3344 1.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9306 -0.0187 2.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8166 -0.3770 -2.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4579 1.1181 -1.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6820 0.2127 1.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2689 1.7341 2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1563 1.3711 -2.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6116 -0.0155 -1.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5246 -1.3536 -2.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7900 -2.6610 -1.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8463 -2.4671 1.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6128 -1.0390 2.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7330 -1.7919 -1.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0419 -3.2455 -1.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1300 -2.9234 2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7850 -1.6078 1.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9977 -6.2435 1.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5314 -4.6867 2.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7942 -5.1469 2.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7971 6.7008 -0.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9074 1.7040 2.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 1.3465 -2.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8172 4.0232 -0.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6807 5.7600 -0.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2066 0.3740 -2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0026 -0.2239 1.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2745 -0.0783 1.3866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4724 1.4378 4.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8855 1.9630 2.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4425 2.6328 3.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4312 -3.7113 -2.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8329 -3.0332 -2.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0328 -2.0876 -3.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4585 -4.0529 -1.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9140 -1.1541 2.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4353 -4.2443 -0.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6629 -2.8141 1.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 2 0 0 0 0 2 33 1 0 0 0 0 2 39 1 0 0 0 0 3 36 2 0 0 0 0 4 13 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 23 1 0 0 0 0 7 26 2 0 0 0 0 8 23 2 0 0 0 0 8 30 1 0 0 0 0 9 28 1 0 0 0 0 9 30 2 0 0 0 0 10 28 1 0 0 0 0 10 71 1 0 0 0 0 10 72 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 74 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 12 42 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 47 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 14 48 1 0 0 0 0 15 17 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 18 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 21 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 22 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 21 61 1 0 0 0 0 21 62 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 23 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 28 2 0 0 0 0 26 29 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 27 67 1 0 0 0 0 29 31 2 0 0 0 0 29 32 1 0 0 0 0 30 68 1 0 0 0 0 31 33 1 0 0 0 0 31 69 1 0 0 0 0 32 34 2 0 0 0 0 32 70 1 0 0 0 0 33 35 2 0 0 0 0 34 35 1 0 0 0 0 34 73 1 0 0 0 0 36 37 1 0 0 0 0 37 41 2 0 0 0 0 38 40 1 0 0 0 0 38 43 2 0 0 0 0 39 76 1 0 0 0 0 39 77 1 0 0 0 0 39 78 1 0 0 0 0 40 41 1 0 0 0 0 40 44 2 0 0 0 0 41 75 1 0 0 0 0 42 79 1 0 0 0 0 42 80 1 0 0 0 0 42 81 1 0 0 0 0 43 45 1 0 0 0 0 43 82 1 0 0 0 0 44 46 1 0 0 0 0 44 83 1 0 0 0 0 45 46 2 0 0 0 0 45 84 1 0 0 0 0 46 85 1 0 0 0 0 M END $$$$