BAFV53 -OEChem-04022112053D 42 45 0 0 0 0 0 0 0999 V2000 4.4757 -2.0286 -2.2071 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0046 -1.3416 -0.1075 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1702 0.3563 0.4503 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1432 -0.5531 -0.1500 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2901 -2.0912 -1.2682 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0036 -1.8650 1.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6199 -2.3150 2.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8654 -2.4051 2.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0474 -0.3660 0.7543 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0271 0.4930 0.7347 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8414 1.6755 0.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5397 1.7889 0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5067 -0.1941 0.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4362 0.1370 1.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6527 2.7658 -0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1428 3.0514 0.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7695 -0.9444 -0.9333 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0324 4.0080 -0.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3436 4.1510 -0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2637 -0.0766 -1.4249 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7747 -1.7648 -0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1934 -1.4383 -1.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9751 -1.0430 -2.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1579 -2.5015 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1866 -3.2384 2.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9641 -1.5895 3.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4582 -1.7440 2.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2974 -3.3890 2.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6800 -0.8357 1.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2255 0.6249 0.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5563 -0.5274 1.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0556 1.0216 1.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7239 2.6703 -0.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2139 3.1823 0.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1044 -1.8102 -1.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5876 -0.2801 -1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6339 4.8752 -0.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8033 5.1270 -0.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8538 0.8739 -1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8259 -2.3602 0.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2773 -1.0366 -3.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3999 -2.3554 -2.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 42 1 0 0 0 0 2 22 2 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 4 14 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 21 2 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 2 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 16 2 0 0 0 0 13 17 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 18 1 0 0 0 0 15 33 1 0 0 0 0 16 19 1 0 0 0 0 16 34 1 0 0 0 0 17 22 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 23 2 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$