BS53ML -OEChem-04042107313D 29 31 0 0 0 0 0 0 0999 V2000 2.9758 -1.5594 -0.0027 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7617 -3.5393 -0.0041 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7087 3.2132 0.0085 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0997 1.5818 -0.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1865 -0.0516 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6585 -1.3852 -0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5616 -0.2290 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6157 -1.7813 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6275 1.2125 0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -2.3217 -0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7955 -0.8968 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4353 0.8427 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4930 2.3102 0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8868 2.1266 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3518 -0.5102 1.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3228 -0.4706 -1.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4678 0.3266 1.2063 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4387 0.3664 -1.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0113 0.7651 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8568 -2.8420 -0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4381 1.3940 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5092 0.6913 0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0725 3.3131 0.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9372 -0.8450 2.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8855 -0.7745 -2.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9091 0.6340 2.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8522 0.7011 -2.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1649 4.0196 0.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3409 1.7864 -0.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 10 2 0 0 0 0 3 14 1 0 0 0 0 3 28 1 0 0 0 0 4 19 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 5 9 1 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 7 12 1 0 0 0 0 8 11 1 0 0 0 0 8 20 1 0 0 0 0 9 13 2 0 0 0 0 9 21 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 14 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 23 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 16 18 2 0 0 0 0 16 25 1 0 0 0 0 17 19 2 0 0 0 0 17 26 1 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 M END $$$$