BH0XS6 -OEChem-04022117303D 84 87 0 1 0 0 0 0 0999 V2000 7.1580 0.5290 1.1573 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0578 -0.2725 3.4665 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8084 2.4605 -0.9419 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9918 -1.2295 1.3236 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6176 -6.2507 -1.1454 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 0.1940 -1.1812 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5006 2.2656 -1.1560 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5273 -4.1286 -0.6596 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5549 4.3408 -0.9366 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7024 -4.0099 -1.4332 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9716 0.3336 -1.4104 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9331 -1.0254 -2.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5694 0.9000 -1.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7532 -1.8446 -1.6968 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7290 0.2616 -0.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5832 -1.2069 -1.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 5.3205 -0.7807 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7551 -3.2325 -1.7695 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5194 -1.9869 -0.9208 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0382 0.0255 1.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1135 0.4306 -0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4089 -3.3656 -1.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 2.9713 -1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7214 -3.4192 -0.1105 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8071 0.3633 1.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7318 -0.0418 2.3065 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1225 6.7230 -0.7413 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2469 5.0535 0.5283 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4610 5.2121 -1.9652 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1163 0.1271 2.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6276 -3.1970 1.3933 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5456 -5.5627 -0.7128 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8518 -2.4910 1.9636 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7627 -6.2777 -0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 0.7682 -0.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6435 -0.4361 3.3738 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1061 -0.5081 1.8311 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2017 0.8095 1.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5380 1.9262 1.6276 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9545 0.9177 -0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6272 3.1512 0.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0435 2.1426 -0.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3798 3.2593 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5265 1.0341 -2.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8665 -1.5798 -1.9693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8315 -0.8568 -3.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3631 2.8011 -1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6297 -3.7760 -2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 -1.4414 -0.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9667 -0.1122 1.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6002 0.6085 -1.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5173 4.6593 -0.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6083 -4.0321 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9537 -2.5184 -0.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8296 6.8208 0.0908 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6749 6.9376 -1.6637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6457 7.4952 -0.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0042 5.8259 0.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7651 4.0917 0.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5609 5.0587 1.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2048 6.0171 -1.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 5.2937 -2.9194 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0196 4.2715 -1.9816 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6569 0.0748 3.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7437 -2.5854 1.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4806 -4.1438 1.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7208 -2.3465 3.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7498 -3.0962 1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6223 -6.1039 -0.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9853 -5.9815 0.8526 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5677 -7.3555 -0.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6896 -0.0837 -0.7731 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4652 1.7076 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8715 0.8766 0.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2719 -0.6087 4.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3772 -1.3198 2.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 0.4731 3.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9896 -0.3459 2.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0272 -1.0851 1.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9478 1.8545 2.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4743 0.0543 -0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1175 4.0225 1.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6292 2.2269 -1.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4495 4.2134 -0.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 35 1 0 0 0 0 2 26 1 0 0 0 0 2 36 1 0 0 0 0 3 23 2 0 0 0 0 4 33 1 0 0 0 0 4 37 1 0 0 0 0 5 32 2 0 0 0 0 6 13 2 0 0 0 0 6 16 1 0 0 0 0 7 13 1 0 0 0 0 7 23 1 0 0 0 0 7 47 1 0 0 0 0 8 22 1 0 0 0 0 8 24 1 0 0 0 0 8 32 1 0 0 0 0 9 17 1 0 0 0 0 9 23 1 0 0 0 0 9 52 1 0 0 0 0 10 18 1 0 0 0 0 10 22 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 44 1 0 0 0 0 12 14 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 14 16 1 0 0 0 0 14 18 2 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 19 2 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 48 1 0 0 0 0 19 22 1 0 0 0 0 19 49 1 0 0 0 0 20 26 1 0 0 0 0 20 50 1 0 0 0 0 21 25 2 0 0 0 0 21 51 1 0 0 0 0 24 31 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 30 1 0 0 0 0 26 30 2 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 64 1 0 0 0 0 31 33 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 32 34 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 35 72 1 0 0 0 0 35 73 1 0 0 0 0 35 74 1 0 0 0 0 36 75 1 0 0 0 0 36 76 1 0 0 0 0 36 77 1 0 0 0 0 37 38 1 0 0 0 0 37 78 1 0 0 0 0 37 79 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 39 80 1 0 0 0 0 40 42 2 0 0 0 0 40 81 1 0 0 0 0 41 43 2 0 0 0 0 41 82 1 0 0 0 0 42 43 1 0 0 0 0 42 83 1 0 0 0 0 43 84 1 0 0 0 0 M END $$$$