BH3E9B -OEChem-04022115413D 43 46 0 0 0 0 0 0 0999 V2000 -3.8131 2.4517 1.0932 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 0.7418 -1.2426 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2696 1.8633 0.5574 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3782 -1.5180 0.3411 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4656 -1.2543 0.7189 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5268 -1.4461 -1.6359 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6003 -2.4165 -1.6385 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3055 1.5503 -0.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0492 2.2696 0.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1251 0.1783 0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7877 0.4517 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6006 1.3833 0.5269 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5412 0.1317 0.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2248 1.5243 -0.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9761 -0.1992 0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3521 -0.9326 -0.4165 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 2.0082 -1.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0450 1.3026 0.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1142 -0.0299 1.5635 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6449 0.2797 -1.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3952 -1.0292 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1657 1.3719 -1.8101 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9219 -2.4525 -0.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6161 -1.1170 2.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7852 -1.6882 1.8046 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1513 -3.4247 -0.1976 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0629 2.5054 1.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9975 3.2455 -0.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1532 2.6951 1.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6332 2.8543 -1.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0759 1.5450 1.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1927 0.4144 1.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0056 -1.9533 0.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4198 -0.9007 0.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4441 -1.1517 -1.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5645 -0.2015 -1.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7095 1.7219 -2.6826 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1074 -1.5038 3.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4939 -2.9977 -2.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2243 -2.5411 2.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4272 -3.4180 0.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0436 -3.1785 -0.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1649 -4.4398 -0.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 18 1 0 0 0 0 2 14 2 0 0 0 0 3 12 1 0 0 0 0 3 14 1 0 0 0 0 3 29 1 0 0 0 0 4 16 1 0 0 0 0 4 23 2 0 0 0 0 5 15 1 0 0 0 0 5 25 2 0 0 0 0 6 7 1 0 0 0 0 6 16 2 0 0 0 0 7 23 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 8 17 1 0 0 0 0 9 14 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 11 15 1 0 0 0 0 11 19 1 0 0 0 0 13 18 2 0 0 0 0 13 21 1 0 0 0 0 15 20 2 0 0 0 0 17 22 2 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 19 24 2 0 0 0 0 19 32 1 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 37 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 M END $$$$