BVKW91 -OEChem-04022102013D 49 53 0 0 0 0 0 0 0999 V2000 -6.5035 -5.1293 -0.0633 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9017 -1.9308 -0.0603 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.2189 3.7430 -0.0141 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9043 1.1231 0.0212 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6889 -1.1000 0.0422 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9214 -0.0261 0.0419 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6239 -0.5721 0.0417 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1349 1.6551 0.0131 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3702 1.6993 0.0204 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5071 3.2636 -0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6317 -0.2314 0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5129 -2.5203 0.0571 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0706 2.0790 0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6163 0.4072 0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0228 0.8822 0.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8451 -3.2169 0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8398 2.9568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3252 0.1314 0.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8838 3.9970 -0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4965 -3.5312 1.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4295 -3.5486 -1.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9460 -0.2288 1.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9127 -0.2050 -1.2098 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7323 -4.1775 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6653 -4.1950 -1.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6499 5.3525 -0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3166 -4.5094 -0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1543 -0.9251 1.1824 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1210 -0.9015 -1.2334 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7418 -1.2615 -0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9229 5.9710 -0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8441 4.9493 -0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9595 -2.8278 0.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 -2.8418 -0.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6375 -0.7330 0.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9944 1.5299 0.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9726 1.5466 -0.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1061 -1.0253 0.0562 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0525 -3.2761 2.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9329 -3.3073 -2.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4973 0.0259 2.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4380 0.0682 -2.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2401 -4.4218 2.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1209 -4.4530 -2.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6882 5.8468 -0.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6377 -1.2062 2.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5785 -1.1641 -2.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1418 7.0289 -0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9238 4.9162 -0.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 30 1 0 0 0 0 3 19 1 0 0 0 0 3 32 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 35 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 38 1 0 0 0 0 7 11 2 0 0 0 0 7 14 1 0 0 0 0 8 17 2 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 13 2 0 0 0 0 10 17 1 0 0 0 0 12 16 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 15 18 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 19 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 19 26 2 0 0 0 0 20 24 1 0 0 0 0 20 39 1 0 0 0 0 21 25 2 0 0 0 0 21 40 1 0 0 0 0 22 28 1 0 0 0 0 22 41 1 0 0 0 0 23 29 2 0 0 0 0 23 42 1 0 0 0 0 24 27 2 0 0 0 0 24 43 1 0 0 0 0 25 27 1 0 0 0 0 25 44 1 0 0 0 0 26 31 1 0 0 0 0 26 45 1 0 0 0 0 28 30 2 0 0 0 0 28 46 1 0 0 0 0 29 30 1 0 0 0 0 29 47 1 0 0 0 0 31 32 2 0 0 0 0 31 48 1 0 0 0 0 32 49 1 0 0 0 0 M END $$$$