BHR8Z5 -OEChem-04012116452D 85 89 0 1 0 0 0 0 0999 V2000 11.1477 4.2632 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4501 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5296 -2.0726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1438 5.2632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1477 4.2594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1477 4.2671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0399 -2.9790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0197 -1.2240 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0198 -1.2471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4035 0.1940 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4035 1.1940 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5096 -0.3407 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5096 1.7286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2695 -0.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6035 0.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6035 1.2148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2695 1.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1356 0.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4035 2.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1356 1.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0196 -1.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0196 -1.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2535 2.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0456 1.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1515 3.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0536 2.7424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9215 3.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5297 -2.0957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0397 -2.9559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7856 2.7358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9254 4.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5298 -2.1073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5498 -3.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5498 -3.8392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0598 -4.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0199 -1.2587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0599 -4.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5698 -5.5596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5699 -5.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5099 -0.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5299 -2.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 -0.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5300 -2.1420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 -1.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4101 -0.6560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9142 2.1984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1160 2.2077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8710 -0.7810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6681 -0.7810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9927 0.2793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3945 -0.4105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3945 1.7985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9927 1.1087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3476 -0.3886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7462 0.3017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0235 2.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4035 2.8140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7835 2.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4862 -1.5170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3358 -1.7342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5529 -0.8847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7130 3.0393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5789 1.3846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7035 -0.6907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4597 3.5470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2136 -1.5624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5192 -3.3489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5100 -2.5519 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4736 2.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3214 2.4237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0977 3.2715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5454 4.2367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9278 4.8591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3054 4.2415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6057 5.5712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3236 -0.7066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2336 -3.3059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6797 -4.6807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 -4.7181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8860 -6.0929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2661 -6.1116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8137 0.1420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8461 -2.6637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2262 -2.6825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4001 -1.2890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 2 42 1 0 0 0 0 3 22 2 0 0 0 0 4 75 1 0 0 0 0 7 32 2 0 0 0 0 8 22 1 0 0 0 0 28 8 1 1 0 0 0 8 64 1 0 0 0 0 9 32 1 0 0 0 0 9 36 1 0 0 0 0 9 76 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 45 1 6 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 11 19 1 1 0 0 0 12 15 1 0 0 0 0 12 21 1 1 0 0 0 12 22 1 0 0 0 0 13 16 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 18 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 20 1 0 0 0 0 17 23 2 0 0 0 0 18 20 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 24 2 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 21 61 1 0 0 0 0 23 25 1 0 0 0 0 23 62 1 0 0 0 0 24 26 1 0 0 0 0 24 63 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 30 1 0 0 0 0 27 31 1 0 0 0 0 27 65 1 0 0 0 0 28 29 1 0 0 0 0 28 32 1 0 0 0 0 28 66 1 0 0 0 0 29 33 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 69 1 0 0 0 0 30 70 1 0 0 0 0 30 71 1 0 0 0 0 31 72 1 0 0 0 0 31 73 1 0 0 0 0 31 74 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 34 37 1 0 0 0 0 34 77 1 0 0 0 0 35 38 2 0 0 0 0 35 78 1 0 0 0 0 36 40 2 0 0 0 0 36 41 1 0 0 0 0 37 39 2 0 0 0 0 37 79 1 0 0 0 0 38 39 1 0 0 0 0 38 80 1 0 0 0 0 39 81 1 0 0 0 0 40 42 1 0 0 0 0 40 82 1 0 0 0 0 41 43 2 0 0 0 0 41 83 1 0 0 0 0 42 44 2 0 0 0 0 43 44 1 0 0 0 0 43 84 1 0 0 0 0 44 85 1 0 0 0 0 M END $$$$