BB3EH2 -OEChem-04022118183D 44 46 0 0 0 0 0 0 0999 V2000 2.9865 2.9166 -0.7367 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3382 -1.1185 -1.5379 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1131 1.5658 -0.3712 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4453 1.1014 0.0276 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5831 -0.3584 1.4791 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6760 -1.1249 -1.2364 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7814 -3.3792 0.1522 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4363 1.4292 1.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7685 2.7654 0.6654 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 0.3017 1.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 2.6553 -0.5492 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5079 0.2513 -0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4809 1.8230 -0.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4893 0.2272 0.2642 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4147 0.7075 -0.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3805 0.0076 -0.7737 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9226 0.4154 0.9711 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8191 -0.0855 -1.3515 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4361 -0.8695 -0.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6219 -1.2047 1.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5664 -1.4913 0.6865 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8066 -0.6460 1.1297 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1486 -1.3788 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3952 -2.0292 -1.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0487 -2.4815 0.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9162 1.5556 1.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1738 3.0949 1.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5249 3.5377 0.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8758 -0.6747 1.2451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2259 0.4772 1.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6744 3.6070 -0.6987 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4131 2.4519 -1.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0628 -0.0197 -1.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2643 -0.5231 0.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2315 1.3013 -0.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2703 0.4990 -1.7357 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6350 1.0080 1.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4565 0.0937 -2.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6777 -1.6633 2.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3547 -2.1862 0.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2075 -0.8813 2.1103 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0178 -2.1096 -2.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0366 -1.6499 -0.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0121 -3.0325 -1.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 19 1 0 0 0 0 2 24 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 8 1 0 0 0 0 4 14 1 0 0 0 0 4 35 1 0 0 0 0 5 14 2 0 0 0 0 5 20 1 0 0 0 0 6 18 1 0 0 0 0 6 23 2 0 0 0 0 7 25 3 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 2 0 0 0 0 16 19 2 0 0 0 0 16 36 1 0 0 0 0 17 22 2 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 21 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 25 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M END $$$$