B2CG5E -OEChem-04022117313D 49 53 0 0 0 0 0 0 0999 V2000 4.2354 3.2620 1.5682 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.6134 -1.2784 -0.8706 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9688 -1.0150 -1.3068 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1126 -0.6595 -0.7824 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6643 1.6734 -1.2081 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0010 0.6724 0.5274 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8185 -1.5477 1.2849 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7319 -2.7400 1.1074 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9610 -0.0261 -0.0785 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5008 3.2856 0.4638 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8758 -0.4781 0.3231 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3725 0.8556 0.2906 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2105 -0.4881 0.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1014 -0.1051 -0.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1556 -1.6634 0.5446 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4465 0.0453 -0.6324 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2628 0.6413 -0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 -0.5825 -0.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0765 0.5853 -0.6394 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1832 -1.6916 0.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0547 1.9999 0.7171 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1404 1.1651 -0.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8017 -1.8493 -1.4552 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4290 2.1535 0.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9449 -1.5222 -0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0319 -2.6239 1.4466 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3504 -0.9974 -0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5852 0.3549 0.1567 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4060 -1.8697 -0.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8493 2.8300 -1.3915 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9011 0.7879 0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6852 -1.3371 -0.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2312 2.1628 0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5342 1.5241 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8613 1.5296 -0.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7234 -2.6241 0.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2000 1.2795 -0.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6222 -2.0151 -2.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9980 -2.8158 -0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9561 3.0447 0.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6378 -1.5631 1.0439 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9024 -2.5279 -0.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4907 -3.4948 1.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7718 1.0521 0.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2527 -2.9325 -0.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5044 3.2376 -0.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4799 3.5972 -1.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0252 2.6376 -2.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5497 -1.9726 -0.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 14 1 0 0 0 0 2 23 1 0 0 0 0 3 16 1 0 0 0 0 3 23 1 0 0 0 0 4 18 1 0 0 0 0 4 25 1 0 0 0 0 5 19 1 0 0 0 0 5 30 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 34 1 0 0 0 0 7 13 2 0 0 0 0 7 26 1 0 0 0 0 8 15 1 0 0 0 0 8 26 2 0 0 0 0 9 31 2 0 0 0 0 9 32 1 0 0 0 0 10 33 3 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 17 2 0 0 0 0 12 14 1 0 0 0 0 12 21 2 0 0 0 0 14 16 2 0 0 0 0 15 20 2 0 0 0 0 16 22 1 0 0 0 0 17 19 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 36 1 0 0 0 0 21 24 1 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 25 27 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 31 1 0 0 0 0 28 44 1 0 0 0 0 29 32 2 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 31 33 1 0 0 0 0 32 49 1 0 0 0 0 M END $$$$