BREB57 -OEChem-04042104473D 73 76 0 1 0 0 0 0 0999 V2000 2.2643 4.0364 0.5807 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 -0.9321 1.8869 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5274 3.8353 0.3748 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4606 -1.9668 -0.5397 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7498 5.3959 0.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2326 3.3524 1.8679 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 1.7524 -0.6568 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3826 -1.0673 0.0634 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8308 0.0252 0.4695 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0752 -1.4813 0.1909 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0881 1.5920 -0.2889 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5312 0.1339 -0.1502 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5537 -0.6548 0.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1113 0.8010 -1.5632 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0449 -0.5566 -1.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9771 2.3384 -1.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4372 -2.1017 0.6934 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0028 2.9222 -0.2653 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8228 -1.6115 0.9997 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.2555 -2.8098 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7178 -1.4068 -2.1055 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4717 3.0314 -0.6121 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6986 -1.0300 0.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9518 -2.2369 0.4459 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9624 -0.5152 1.8513 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0051 -0.8909 0.9910 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9900 0.3874 -3.6946 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1773 -0.9416 -3.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2403 -1.7433 0.7602 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2296 -0.0299 2.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3620 -0.6389 1.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8300 -3.3414 -0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7694 0.1591 2.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9018 -1.5975 2.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9640 4.0718 0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3693 -2.3686 0.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9625 -3.9504 -0.9543 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2297 -3.4650 -0.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5088 -0.5622 -0.8507 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2185 2.0866 0.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6003 -0.3522 -1.1317 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0283 2.3177 -0.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9038 1.8931 -2.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6785 3.3886 -1.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3418 -3.0060 0.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0129 -2.4138 1.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0828 0.7144 1.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2176 2.2921 -3.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -2.4698 -1.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5892 3.5100 -1.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9712 2.0604 -0.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2168 0.1679 1.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3387 0.7495 -4.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6622 -1.6258 -4.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3583 0.8222 2.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3427 -0.2424 1.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8923 -3.8171 -0.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2369 0.7789 1.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1431 -0.5521 2.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0946 0.8602 3.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6858 -2.6653 2.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8304 -1.4996 2.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0905 -1.1706 2.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8751 -1.6893 0.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5284 4.6888 0.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0083 4.5046 -0.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3525 3.0517 0.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3696 -2.0064 0.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8564 -4.8110 -1.6085 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1110 -3.9412 -1.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6986 -0.3174 -1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9113 0.3653 -0.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3049 -1.0320 -1.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 22 1 0 0 0 0 1 35 1 0 0 0 0 2 13 2 0 0 0 0 3 18 2 0 0 0 0 4 23 2 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 7 18 1 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 9 12 1 0 0 0 0 9 23 1 0 0 0 0 9 47 1 0 0 0 0 10 26 1 0 0 0 0 10 39 1 0 0 0 0 10 64 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 15 21 2 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 19 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 22 1 0 0 0 0 19 24 1 0 0 0 0 19 25 2 0 0 0 0 20 27 1 0 0 0 0 20 48 1 0 0 0 0 21 28 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 26 1 0 0 0 0 24 29 1 0 0 0 0 24 32 2 0 0 0 0 25 30 1 0 0 0 0 25 33 1 0 0 0 0 26 34 1 0 0 0 0 26 52 1 0 0 0 0 27 28 2 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 29 31 1 0 0 0 0 29 36 2 0 0 0 0 30 31 2 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 32 37 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 35 67 1 0 0 0 0 36 38 1 0 0 0 0 36 68 1 0 0 0 0 37 38 2 0 0 0 0 37 69 1 0 0 0 0 38 70 1 0 0 0 0 39 71 1 0 0 0 0 39 72 1 0 0 0 0 39 73 1 0 0 0 0 M END $$$$