BAGB25 -OEChem-04022114373D 49 51 0 1 0 0 0 0 0999 V2000 -4.8494 -0.6195 -0.4034 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1598 2.1278 1.7701 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1145 0.3643 2.0056 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.5483 -1.8899 -0.4126 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5303 0.6066 -0.7712 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4709 -0.6432 -0.9235 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1911 -0.6859 0.6962 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 2.3969 -0.7700 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0208 -4.3018 0.4412 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9016 0.5149 0.2617 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1100 0.7263 1.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4069 0.3454 -1.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1349 -0.4026 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4073 -0.7844 -1.4232 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8979 1.6895 0.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0567 -1.1619 0.0577 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5155 -2.3964 0.7375 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8372 -2.8810 0.1139 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0720 -2.1242 0.6489 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6946 3.3691 0.9513 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3558 3.3595 -0.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -0.8127 -0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3573 0.3759 0.6875 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6065 -0.7903 -1.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6169 1.5871 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8659 0.4209 -2.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8711 1.6095 -1.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7603 0.8387 2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6069 1.6716 0.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8870 1.2839 -1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5772 0.1967 -1.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7015 -1.3597 1.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9590 -0.1739 1.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9583 -1.7579 -1.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7498 -0.7958 -2.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 -1.1688 1.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6358 -2.1961 1.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2546 -3.1736 0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7789 -2.8172 -0.9784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9778 -2.7320 0.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9878 -1.9864 1.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3802 4.0246 1.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7508 4.0382 -1.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2412 -4.8425 0.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8576 -4.6551 -0.0216 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6169 -1.7083 -1.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6312 2.5112 0.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0663 0.4382 -3.1224 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0750 2.5524 -1.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 2 20 1 0 0 0 0 3 23 1 0 0 0 0 6 16 2 0 0 0 0 7 10 1 0 0 0 0 7 16 1 0 0 0 0 7 36 1 0 0 0 0 8 15 2 0 0 0 0 8 21 1 0 0 0 0 9 18 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 22 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 24 26 1 0 0 0 0 24 46 1 0 0 0 0 25 27 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 M END $$$$