BWU3R5 -OEChem-04022118413D 43 45 0 0 0 0 0 0 0999 V2000 7.1180 -0.3921 0.0127 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3948 2.2310 -0.3476 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3183 2.1639 0.7588 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5388 -3.0893 -0.6789 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5075 -2.7551 1.4905 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7691 -0.0164 -0.0595 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7832 -2.3822 0.3264 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.4127 0.2070 -0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6282 0.0386 -0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3954 -1.1108 0.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7876 -1.0267 0.1468 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8569 0.2950 -0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6455 1.3567 -0.2221 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2532 1.2726 -0.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1072 0.6694 -0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6699 1.0447 -0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5361 0.5217 1.1695 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5698 0.1531 -1.2178 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0543 1.5995 0.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5084 -0.6132 -0.5184 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4027 1.2469 0.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8040 -0.0356 -0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8568 -0.9657 -0.4636 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9285 0.6066 1.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9620 0.2380 -1.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6414 0.4647 -0.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4433 -1.7223 -0.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3851 -1.9251 0.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1184 2.3256 -0.3659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7403 2.2094 -0.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 -0.9396 0.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9958 0.6346 2.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0559 -0.0242 -2.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7480 2.5994 0.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8126 -1.3570 -0.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0968 -1.9760 -0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4575 0.7831 2.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5173 0.1276 -2.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7254 0.5307 -0.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8602 2.9941 0.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5278 -1.8333 -0.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2050 -1.8970 -1.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9839 -2.4657 0.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 27 1 0 0 0 0 2 16 2 0 0 0 0 3 21 1 0 0 0 0 3 40 1 0 0 0 0 4 7 1 0 0 0 0 5 7 2 0 0 0 0 6 9 1 0 0 0 0 6 16 1 0 0 0 0 6 31 1 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 28 1 0 0 0 0 12 17 2 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 17 24 1 0 0 0 0 17 32 1 0 0 0 0 18 25 2 0 0 0 0 18 33 1 0 0 0 0 19 21 1 0 0 0 0 19 34 1 0 0 0 0 20 23 2 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 36 1 0 0 0 0 24 26 2 0 0 0 0 24 37 1 0 0 0 0 25 26 1 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 M CHG 2 4 -1 7 1 M END $$$$