@MOLECULE fenoverine 56 61 0 0 0 SMALL USER_CHARGES @ATOM 1 S -3.6361 1.8380 1.5495 S.3 1 UNL111111 0.1357 2 O -1.9236 -0.4318 -2.2640 O.2 1 UNL111111 -0.4611 3 O 5.6656 1.4722 2.1905 O.3 1 UNL111111 -0.3392 4 O 7.1191 2.4218 0.5942 O.3 1 UNL111111 -0.3456 5 N 2.7596 -1.9789 -0.4575 N.3 1 UNL111111 -0.4130 6 N -0.0919 -1.9682 -0.8140 N.3 1 UNL111111 -0.3887 7 N -3.4106 -0.2897 -0.5815 N.am 1 UNL111111 -0.5061 8 C 2.0710 -0.8448 -1.1227 C.3 1 UNL111111 -0.1193 9 C 2.0179 -3.2352 -0.7327 C.3 1 UNL111111 -0.1224 10 C 0.6495 -0.7138 -0.5317 C.3 1 UNL111111 -0.1243 11 C 0.5911 -3.1066 -0.1451 C.3 1 UNL111111 -0.1168 12 C 4.1655 -2.0995 -0.9256 C.3 1 UNL111111 -0.1302 13 C -1.4955 -1.8817 -0.3539 C.3 1 UNL111111 -0.2004 14 C 4.9586 -0.8720 -0.5617 C.ar 1 UNL111111 -0.0023 15 C -2.2344 -0.8335 -1.1716 C.2 1 UNL111111 0.5921 16 C 4.8348 -0.3395 0.7397 C.ar 1 UNL111111 -0.1822 17 C 5.8128 -0.3060 -1.5046 C.ar 1 UNL111111 -0.1836 18 C -3.9005 -0.7545 0.6863 C.ar 1 UNL111111 0.0745 19 C -3.8834 0.9611 -1.0565 C.ar 1 UNL111111 0.1548 20 C 5.6016 0.7636 1.0152 C.ar 1 UNL111111 0.1296 21 C -4.0168 0.1327 1.7661 C.ar 1 UNL111111 -0.1497 22 C -4.0370 2.0387 -0.1446 C.ar 1 UNL111111 -0.0954 23 C 6.5996 0.8240 -1.2095 C.ar 1 UNL111111 -0.1823 24 C 6.4723 1.3352 0.0567 C.ar 1 UNL111111 0.1190 25 C -4.2803 -2.0993 0.8132 C.ar 1 UNL111111 -0.1829 26 C -4.1792 1.1180 -2.4225 C.ar 1 UNL111111 -0.0811 27 C -4.4628 -0.3174 3.0213 C.ar 1 UNL111111 -0.1108 28 C -4.4873 3.3074 -0.5823 C.ar 1 UNL111111 -0.2044 29 C 6.6192 2.5298 1.9454 C.3 1 UNL111111 0.1571 30 C -4.7483 -2.5539 2.0535 C.ar 1 UNL111111 -0.1221 31 C -4.6587 2.3591 -2.9050 C.ar 1 UNL111111 -0.2241 32 C -4.8017 -1.6331 3.0548 C.ar 1 UNL111111 -0.1154 33 C -4.7291 3.2454 -1.9001 C.ar 1 UNL111111 0.1235 34 H 2.0073 -0.9663 -2.2258 H 1 UNL111111 0.1317 35 H 2.6401 0.0833 -0.9212 H 1 UNL111111 0.1466 36 H 2.5442 -4.0764 -0.2357 H 1 UNL111111 0.1325 37 H 1.9529 -3.4686 -1.8174 H 1 UNL111111 0.1279 38 H 0.7103 -0.4816 0.5536 H 1 UNL111111 0.1327 39 H 0.1291 0.1312 -1.0328 H 1 UNL111111 0.1492 40 H 0.0251 -4.0379 -0.3548 H 1 UNL111111 0.1338 41 H 0.6534 -2.9845 0.9583 H 1 UNL111111 0.1332 42 H 4.2334 -2.3101 -2.0159 H 1 UNL111111 0.1257 43 H 4.6204 -2.9807 -0.4029 H 1 UNL111111 0.1549 44 H -1.9830 -2.8722 -0.5344 H 1 UNL111111 0.1783 45 H -1.5836 -1.6694 0.7384 H 1 UNL111111 0.1608 46 H 4.1544 -0.7864 1.4627 H 1 UNL111111 0.1951 47 H 5.8836 -0.7388 -2.5000 H 1 UNL111111 0.1584 48 H 7.2650 1.2590 -1.9481 H 1 UNL111111 0.1718 49 H -4.2454 -2.7675 -0.0414 H 1 UNL111111 0.1587 50 H -4.0518 0.2819 -3.1180 H 1 UNL111111 0.2080 51 H -4.5383 0.3338 3.8867 H 1 UNL111111 0.1627 52 H -4.5969 4.1656 0.0741 H 1 UNL111111 0.2114 53 H 7.4663 2.3827 2.6292 H 1 UNL111111 0.1397 54 H 6.0876 3.4875 2.0304 H 1 UNL111111 0.1395 55 H -5.0691 -3.5827 2.1925 H 1 UNL111111 0.1585 56 H -4.9346 2.5122 -3.9449 H 1 UNL111111 0.2060 @BOND 1 56 31 1 2 50 26 1 3 31 26 ar 4 31 33 ar 5 47 17 1 6 26 19 ar 7 2 15 2 8 34 8 1 9 42 12 1 10 48 23 1 11 33 28 ar 12 37 9 1 13 17 23 ar 14 17 14 ar 15 23 24 ar 16 15 7 am 17 15 13 1 18 8 35 1 19 8 10 1 20 8 5 1 21 19 7 1 22 19 22 ar 23 39 10 1 24 12 14 1 25 12 5 1 26 12 43 1 27 6 10 1 28 6 13 1 29 6 11 1 30 9 5 1 31 9 36 1 32 9 11 1 33 28 22 ar 34 28 52 1 35 7 18 1 36 14 16 ar 37 10 38 1 38 44 13 1 39 13 45 1 40 40 11 1 41 22 1 1 42 11 41 1 43 49 25 1 44 24 4 1 45 24 20 ar 46 4 29 1 47 18 25 ar 48 18 21 ar 49 16 20 ar 50 16 46 1 51 25 30 ar 52 20 3 1 53 1 21 1 54 21 27 ar 55 29 54 1 56 29 3 1 57 29 53 1 58 30 55 1 59 30 32 ar 60 27 32 ar 61 27 51 1