BHU1V7 -OEChem-04022102052D 47 50 0 1 0 0 0 0 0999 V2000 5.9127 -1.7836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4967 -2.8165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5100 0.6437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9243 1.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6566 1.2926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5508 2.8204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5033 -1.0883 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0066 -0.2281 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0067 -0.2242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0066 -1.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9127 0.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5100 0.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.9563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5033 -1.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8067 -0.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8067 -1.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4966 -2.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6727 0.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5387 -0.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6727 -1.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5387 -1.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4487 0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4567 1.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5547 1.8204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3089 -0.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1167 0.3859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4249 -0.0099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -1.1636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7976 -1.8534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0934 0.8497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4047 1.2509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4734 -2.3566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4765 -1.5596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6134 -0.4743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9216 -0.8702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3866 -3.4305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0784 -3.0346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5266 -1.5482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5235 -2.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6727 -2.3689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2021 1.1818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0756 -1.5589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9949 1.6075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9927 -0.7853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8422 -0.5682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6251 0.2813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 16 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 12 1 0 0 0 0 3 42 1 0 0 0 0 4 11 2 0 0 0 0 5 19 1 0 0 0 0 5 25 1 0 0 0 0 6 25 2 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 15 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 17 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 18 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 21 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 M END $$$$