BBWL72 -OEChem-04022105143D 53 53 0 1 0 0 0 0 0999 V2000 -0.7786 1.4451 1.4844 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3868 2.5028 -1.5218 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3931 2.8434 -0.5355 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6428 3.3030 -1.1998 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 1.7672 -1.7166 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8713 0.2663 -0.1911 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6142 0.7283 0.3601 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0216 4.0835 1.5218 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2817 -0.2042 -0.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0966 -1.6273 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1816 0.8218 0.0251 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4869 -0.1483 0.1658 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6034 -1.4338 0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7623 0.6281 0.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9491 -1.6568 1.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2862 -2.5012 -0.1266 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3869 2.1567 -0.6752 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5263 -2.4496 0.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0562 1.6221 -0.6064 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2512 2.4441 -0.1387 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0196 -3.3926 -0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8854 -2.4460 0.6794 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8769 3.2930 1.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8719 -4.3321 -1.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7377 -3.3854 0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2310 -4.3285 -0.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2437 0.2028 0.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3699 -0.2879 -1.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2403 1.0655 1.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1952 -2.0733 -0.1512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4226 -0.3852 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7481 -0.3694 -0.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3858 -1.8963 1.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9392 -1.2117 2.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8110 -1.1913 2.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8680 -2.6867 2.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0485 -1.1258 2.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2247 -2.1192 0.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1537 -3.5302 0.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3856 -2.5325 -1.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0898 0.6936 1.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0821 1.7647 0.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -3.4038 -0.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2925 -1.7169 1.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5327 2.6765 1.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0632 3.9819 0.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4776 -5.0660 -1.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7959 -3.3826 0.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5675 3.3543 -1.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8947 -5.0598 -1.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9280 3.9454 -1.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7808 3.4613 1.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7654 4.6078 2.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 17 1 0 0 0 0 2 49 1 0 0 0 0 3 17 2 0 0 0 0 4 20 1 0 0 0 0 4 51 1 0 0 0 0 5 19 2 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 6 32 1 0 0 0 0 7 12 1 0 0 0 0 7 19 1 0 0 0 0 7 41 1 0 0 0 0 8 23 1 0 0 0 0 8 52 1 0 0 0 0 8 53 1 0 0 0 0 9 10 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 15 1 0 0 0 0 10 16 1 0 0 0 0 10 30 1 0 0 0 0 11 17 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 13 18 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 20 23 1 0 0 0 0 20 42 1 0 0 0 0 21 24 1 0 0 0 0 21 43 1 0 0 0 0 22 25 2 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 26 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 50 1 0 0 0 0 M END $$$$