BCRB42 -OEChem-04022101273D 58 61 0 1 0 0 0 0 0999 V2000 -1.5736 3.5587 1.3493 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8128 -2.5955 1.6265 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3272 -1.6124 -0.3666 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2728 1.9619 -0.0787 N 0 0 2 0 0 0 0 0 0 0 0 0 1.8264 -1.6700 -0.9716 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7169 2.1945 0.1994 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9813 0.7458 -0.9020 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3227 0.9998 0.9903 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8922 -0.3857 -0.5064 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9700 -0.2920 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6228 3.1584 -0.6203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5676 -1.5777 0.4341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5398 4.2901 0.4182 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4810 0.3268 -0.7943 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5647 2.5146 -1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8296 -2.4241 -0.4007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2228 3.8590 1.6793 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 5.5227 -0.2158 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6665 -2.1101 1.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0188 -0.0172 0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2811 0.2885 -1.9363 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1391 -3.7793 -0.5628 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9855 -3.4641 0.9844 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2321 -4.2841 0.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3566 -0.3996 0.5442 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6188 -0.0938 -1.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1566 -0.4378 -0.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5516 -0.8377 -0.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0891 -1.5435 0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5229 -1.8959 0.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8295 3.0431 0.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2121 0.9777 -1.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9172 0.9993 2.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4105 1.1057 1.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4055 2.9294 -0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1154 3.5083 -1.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5432 4.6073 0.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4996 1.7355 -1.8095 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6208 2.6121 -0.7676 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2728 3.4655 -1.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1412 -2.0208 -1.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2265 4.6720 2.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2302 2.9815 2.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1252 5.3037 -0.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1895 6.3401 0.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 5.8815 -1.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2636 -1.4833 1.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4121 0.0136 1.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8759 0.5540 -2.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5546 -4.4188 -1.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8316 -3.8793 1.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4980 -5.3329 0.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7368 -0.6388 1.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2265 -0.1190 -2.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0154 3.2904 2.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1853 -0.5391 -1.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5081 -1.8926 1.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7580 -2.8553 1.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 55 1 0 0 0 0 2 30 1 0 0 0 0 2 58 1 0 0 0 0 3 30 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 5 9 1 0 0 0 0 5 16 1 0 0 0 0 5 41 1 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 6 31 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 32 1 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 16 1 0 0 0 0 12 19 2 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 37 1 0 0 0 0 14 20 2 0 0 0 0 14 21 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 22 2 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 23 1 0 0 0 0 19 47 1 0 0 0 0 20 25 1 0 0 0 0 20 48 1 0 0 0 0 21 26 2 0 0 0 0 21 49 1 0 0 0 0 22 24 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 51 1 0 0 0 0 24 52 1 0 0 0 0 25 27 2 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 M END $$$$