BHE3S1 -OEChem-04042103233D 45 47 0 1 0 0 0 0 0999 V2000 -2.4846 2.0235 -2.8445 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.1189 -0.8984 2.3865 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.5685 -2.1868 0.6824 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.1077 -2.8215 2.1753 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.3963 2.9149 0.5705 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8991 -2.0890 -0.1555 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7133 -0.7729 -0.9751 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3514 -0.5107 -1.8193 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 -2.8000 -2.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8214 1.1024 0.4394 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4512 0.6758 0.6684 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0447 -0.7761 0.5499 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8858 0.6056 -1.0210 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0187 0.0626 -0.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4849 -1.0939 0.7046 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8013 1.3454 -0.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4863 1.5916 -2.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5935 -1.7642 1.5041 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 -1.7171 -1.3599 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4834 0.8899 -0.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1325 2.4699 0.5336 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5033 1.5585 0.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1458 3.1388 1.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1721 2.6831 1.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 0.0008 -0.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8007 -0.2154 -0.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4166 -1.2757 -0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7883 -1.4314 -0.5909 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7835 0.4927 0.8072 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4921 -0.5345 0.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8996 -0.6678 0.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8310 -0.3040 -0.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4521 0.8321 0.5193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7074 -0.7621 1.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9673 2.4647 -1.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2239 1.0972 -2.6869 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2596 0.0231 -0.8522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4042 4.0141 1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9308 3.2140 1.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9306 -3.7320 -1.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -2.7023 -2.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4833 1.6451 0.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8700 -1.9768 -1.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2951 -2.2555 -1.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2742 1.2261 1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 3 18 1 0 0 0 0 4 18 1 0 0 0 0 5 21 1 0 0 0 0 6 15 1 0 0 0 0 6 19 1 0 0 0 0 7 25 2 0 0 0 0 8 13 1 0 0 0 0 8 19 2 0 0 0 0 9 19 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 22 1 0 0 0 0 10 25 1 0 0 0 0 10 42 1 0 0 0 0 11 26 2 0 0 0 0 11 29 1 0 0 0 0 12 31 3 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 18 1 0 0 0 0 15 34 1 0 0 0 0 16 20 1 0 0 0 0 16 21 2 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 43 1 0 0 0 0 28 30 1 0 0 0 0 28 44 1 0 0 0 0 29 30 2 0 0 0 0 29 45 1 0 0 0 0 30 31 1 0 0 0 0 M END $$$$