L2MVD5 -OEChem-05022323103D 43 46 0 1 0 0 0 0 0999 V2000 -7.0298 -0.1796 -0.2978 S 0 0 2 0 0 0 0 0 0 0 0 0 5.6851 -3.5862 0.0427 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.4265 -1.6161 -0.0995 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3199 1.1768 -0.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2042 -1.0406 -0.0944 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0321 3.8385 0.1411 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0113 0.8709 -0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0543 -0.5009 -0.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0103 -0.0023 -0.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4517 -0.0444 -0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2491 -1.2970 -0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0405 1.8790 0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1366 -1.1228 0.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1603 0.9929 -0.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7908 -1.7083 1.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8682 -1.6589 -1.2168 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2388 -0.1266 -0.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5302 -1.1638 0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5537 0.9517 -0.7983 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5775 2.3917 -1.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4986 2.3456 1.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9515 -2.4816 1.2187 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0288 -2.4323 -1.1955 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5705 -2.8436 0.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5619 3.3612 -1.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4866 3.3171 1.2628 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3450 0.6796 1.2667 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7135 2.1088 -0.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6037 -1.9396 0.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6572 1.8410 -1.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3205 -1.4345 2.1389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4586 -1.3463 -2.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0405 -2.0118 0.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0922 1.7660 -1.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2463 2.0532 -2.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1044 1.9702 2.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3737 -2.8019 2.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5111 -2.7143 -2.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0129 3.7928 -1.9205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8779 3.7138 2.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8610 0.1496 2.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4241 0.7026 1.4366 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9685 1.7034 1.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 17 1 0 0 0 0 1 27 1 0 0 0 0 2 24 1 0 0 0 0 4 7 1 0 0 0 0 4 9 1 0 0 0 0 4 28 1 0 0 0 0 5 8 1 0 0 0 0 5 9 2 0 0 0 0 6 25 2 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 20 2 0 0 0 0 12 21 1 0 0 0 0 13 18 1 0 0 0 0 13 29 1 0 0 0 0 14 19 2 0 0 0 0 14 30 1 0 0 0 0 15 22 1 0 0 0 0 15 31 1 0 0 0 0 16 23 2 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 20 25 1 0 0 0 0 20 35 1 0 0 0 0 21 26 2 0 0 0 0 21 36 1 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 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 END $$$$