@MOLECULE buflomedil 47 48 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.0887 2.1328 1.5257 O.2 1 UNL1111111111 -0.4753 2 O -0.0338 -1.2351 1.1128 O.3 1 UNL1111111111 -0.3758 3 O -2.5852 2.3060 -0.8981 O.3 1 UNL1111111111 -0.3648 4 O -4.3532 -2.0051 -0.7925 O.3 1 UNL1111111111 -0.2999 5 N 3.8216 0.1096 0.2218 N.3 1 UNL1111111111 -0.4111 6 C 4.0459 -1.2870 0.6779 C.3 1 UNL1111111111 -0.1118 7 C 4.9354 0.3874 -0.7207 C.3 1 UNL1111111111 -0.1115 8 C 4.7897 -2.0478 -0.4470 C.3 1 UNL1111111111 -0.2986 9 C 5.3796 -0.9539 -1.3552 C.3 1 UNL1111111111 -0.3003 10 C 2.4926 0.2773 -0.4131 C.3 1 UNL1111111111 -0.1313 11 C 2.1213 1.7724 -0.3850 C.3 1 UNL1111111111 -0.2604 12 C 0.6439 1.9645 -0.7329 C.3 1 UNL1111111111 -0.3747 13 C -0.2250 1.6085 0.4477 C.2 1 UNL1111111111 0.5472 14 C -1.2937 0.6118 0.2009 C.ar 1 UNL1111111111 -0.3820 15 C -1.1808 -0.7308 0.5595 C.ar 1 UNL1111111111 0.3510 16 C -2.4669 1.0111 -0.4551 C.ar 1 UNL1111111111 0.3293 17 C -2.1724 -1.6679 0.2535 C.ar 1 UNL1111111111 -0.4070 18 C -3.4830 0.1222 -0.7739 C.ar 1 UNL1111111111 -0.3628 19 C -3.3101 -1.2273 -0.4212 C.ar 1 UNL1111111111 0.3201 20 C 0.1493 -0.8998 2.4870 C.3 1 UNL1111111111 -0.1858 21 C -3.0139 3.2022 0.1257 C.3 1 UNL1111111111 -0.1887 22 C -4.2683 -3.3943 -0.4968 C.3 1 UNL1111111111 -0.2029 23 H 4.6735 -1.2264 1.5925 H 1 UNL1111111111 0.1406 24 H 3.1032 -1.7846 0.9651 H 1 UNL1111111111 0.1326 25 H 4.6533 1.1351 -1.4811 H 1 UNL1111111111 0.1297 26 H 5.7599 0.8287 -0.1210 H 1 UNL1111111111 0.1401 27 H 5.5722 -2.7017 -0.0354 H 1 UNL1111111111 0.1367 28 H 4.0995 -2.6985 -1.0056 H 1 UNL1111111111 0.1368 29 H 5.0044 -1.0473 -2.3856 H 1 UNL1111111111 0.1352 30 H 6.4754 -1.0213 -1.4150 H 1 UNL1111111111 0.1368 31 H 2.4504 -0.1185 -1.4477 H 1 UNL1111111111 0.1185 32 H 1.7398 -0.2964 0.1741 H 1 UNL1111111111 0.1560 33 H 2.7589 2.3408 -1.0849 H 1 UNL1111111111 0.1382 34 H 2.3412 2.1879 0.6226 H 1 UNL1111111111 0.1736 35 H 0.4482 3.0244 -1.0037 H 1 UNL1111111111 0.1744 36 H 0.3703 1.3757 -1.6301 H 1 UNL1111111111 0.1675 37 H -2.0270 -2.7030 0.5396 H 1 UNL1111111111 0.1867 38 H -4.3790 0.4531 -1.2909 H 1 UNL1111111111 0.1950 39 H 1.1591 -1.2790 2.6894 H 1 UNL1111111111 0.1509 40 H -0.5984 -1.4193 3.0927 H 1 UNL1111111111 0.1282 41 H 0.1082 0.1833 2.6546 H 1 UNL1111111111 0.1605 42 H -2.3067 3.2110 0.9639 H 1 UNL1111111111 0.1473 43 H -4.0203 2.9370 0.4636 H 1 UNL1111111111 0.1323 44 H -3.0172 4.1694 -0.3917 H 1 UNL1111111111 0.1499 45 H -5.2135 -3.7744 -0.9082 H 1 UNL1111111111 0.1543 46 H -3.4154 -3.8512 -1.0087 H 1 UNL1111111111 0.1392 47 H -4.2250 -3.5614 0.5837 H 1 UNL1111111111 0.1364 @BOND 1 1 13 2 2 2 15 1 3 2 20 1 4 3 16 1 5 3 21 1 6 4 19 1 7 4 22 1 8 5 6 1 9 5 7 1 10 5 10 1 11 6 8 1 12 6 23 1 13 6 24 1 14 7 9 1 15 7 25 1 16 7 26 1 17 8 9 1 18 8 27 1 19 8 28 1 20 9 29 1 21 9 30 1 22 10 11 1 23 10 31 1 24 10 32 1 25 11 12 1 26 11 33 1 27 11 34 1 28 12 13 1 29 12 35 1 30 12 36 1 31 13 14 1 32 14 15 ar 33 14 16 ar 34 15 17 ar 35 16 18 ar 36 17 19 ar 37 17 37 1 38 18 19 ar 39 18 38 1 40 20 39 1 41 20 40 1 42 20 41 1 43 21 42 1 44 21 43 1 45 21 44 1 46 22 45 1 47 22 46 1 48 22 47 1