BHD3M4 -OEChem-04012116342D 54 59 0 0 0 0 0 0 0999 V2000 4.5274 5.2591 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3923 1.9881 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7524 0.0933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9616 -4.8451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5396 -4.5287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 4.9036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 3.1443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3933 -0.4609 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0321 4.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9843 4.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7726 5.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 4.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 3.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 3.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 2.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 4.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 3.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 4.6714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 4.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 2.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0528 1.2373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7328 0.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0733 -1.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7338 -2.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4138 -3.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0743 -3.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0548 -3.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7143 -1.9626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3748 -2.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8653 -5.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7485 4.8979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9004 3.4270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6038 4.0653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3466 5.2530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4420 5.5431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 2.3584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8724 2.6138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7081 3.0564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3034 2.5245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9426 5.4754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1806 5.2375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6208 4.6254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4518 3.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5968 0.9399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4402 1.7214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5293 -1.1110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6860 -1.8925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0012 -0.3391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8059 -3.2285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9127 -1.3752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9827 -2.5916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5493 -5.7925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3626 -5.6295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 18 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 23 2 0 0 0 0 4 27 1 0 0 0 0 4 31 1 0 0 0 0 5 28 1 0 0 0 0 5 31 1 0 0 0 0 6 12 2 0 0 0 0 6 18 1 0 0 0 0 7 12 1 0 0 0 0 7 21 2 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 8 49 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 18 2 0 0 0 0 14 21 1 0 0 0 0 15 17 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 28 30 1 0 0 0 0 29 30 2 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 M END $$$$