@MOLECULE (+)-allomatrine 42 45 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.2433 1.8594 -0.8005 O.2 1 UNL111111111 -0.5300 2 N 2.5358 -0.4918 0.6663 N.3 1 UNL111111111 -0.4320 3 N -1.5403 0.3817 -0.5086 N.am 1 UNL111111111 -0.5036 4 C 1.1106 -0.0920 0.5884 C.3 1 UNL111111111 0.0431 5 C 0.2476 -1.3028 0.1746 C.3 1 UNL111111111 -0.1622 6 C 0.8514 1.1036 -0.3573 C.3 1 UNL111111111 -0.1786 7 C -1.2500 -0.9527 0.0468 C.3 1 UNL111111111 0.0690 8 C -0.6243 1.5091 -0.2623 C.3 1 UNL111111111 -0.0850 9 C 0.7515 -1.9286 -1.1365 C.3 1 UNL111111111 -0.2735 10 C 1.7237 2.3011 0.0552 C.3 1 UNL111111111 -0.2738 11 C 3.0528 -1.0962 -0.5862 C.3 1 UNL111111111 -0.1083 12 C 3.3591 0.6719 1.0652 C.3 1 UNL111111111 -0.1114 13 C -1.9906 -1.1164 1.3971 C.3 1 UNL111111111 -0.3242 14 C 2.2174 -2.3290 -0.9643 C.3 1 UNL111111111 -0.2778 15 C 3.1983 1.8970 0.1438 C.3 1 UNL111111111 -0.3109 16 C -3.5108 -1.0029 1.1873 C.3 1 UNL111111111 -0.2498 17 C -2.8985 0.7354 -0.5039 C.2 1 UNL111111111 0.5854 18 C -3.8780 -0.3631 -0.1612 C.3 1 UNL111111111 -0.3649 19 H 0.8193 0.2055 1.6329 H 1 UNL111111111 0.1387 20 H 0.3601 -2.0745 0.9804 H 1 UNL111111111 0.1564 21 H 1.0921 0.8068 -1.4036 H 1 UNL111111111 0.1559 22 H -1.6989 -1.6890 -0.6844 H 1 UNL111111111 0.1484 23 H -0.8351 1.9656 0.7327 H 1 UNL111111111 0.1310 24 H -0.8549 2.2939 -1.0269 H 1 UNL111111111 0.1712 25 H 0.6340 -1.2155 -1.9744 H 1 UNL111111111 0.1497 26 H 0.1434 -2.8127 -1.4023 H 1 UNL111111111 0.1358 27 H 1.3880 2.7002 1.0319 H 1 UNL111111111 0.1418 28 H 1.5983 3.1266 -0.6707 H 1 UNL111111111 0.1435 29 H 4.1056 -1.4020 -0.3965 H 1 UNL111111111 0.1338 30 H 3.0683 -0.3797 -1.4351 H 1 UNL111111111 0.1173 31 H 4.4220 0.3551 1.1102 H 1 UNL111111111 0.1348 32 H 3.0708 0.9377 2.1069 H 1 UNL111111111 0.1423 33 H -1.6381 -0.3469 2.1078 H 1 UNL111111111 0.1498 34 H -1.7391 -2.0879 1.8561 H 1 UNL111111111 0.1474 35 H 2.3122 -3.0994 -0.1742 H 1 UNL111111111 0.1500 36 H 2.6121 -2.7816 -1.8908 H 1 UNL111111111 0.1350 37 H 3.5947 1.6723 -0.8627 H 1 UNL111111111 0.1406 38 H 3.8041 2.7379 0.5263 H 1 UNL111111111 0.1419 39 H -3.9541 -0.4105 2.0112 H 1 UNL111111111 0.1439 40 H -3.9795 -2.0026 1.2547 H 1 UNL111111111 0.1397 41 H -4.9024 0.0585 -0.1265 H 1 UNL111111111 0.1731 42 H -3.8971 -1.1190 -0.9704 H 1 UNL111111111 0.1666 @BOND 1 1 17 2 2 2 4 1 3 2 11 1 4 2 12 1 5 3 7 1 6 3 8 1 7 3 17 am 8 4 5 1 9 4 6 1 10 4 19 1 11 5 7 1 12 5 9 1 13 5 20 1 14 6 8 1 15 6 10 1 16 6 21 1 17 7 13 1 18 7 22 1 19 8 23 1 20 8 24 1 21 9 14 1 22 9 25 1 23 9 26 1 24 10 15 1 25 10 27 1 26 10 28 1 27 11 14 1 28 11 29 1 29 11 30 1 30 12 15 1 31 12 31 1 32 12 32 1 33 13 16 1 34 13 33 1 35 13 34 1 36 14 35 1 37 14 36 1 38 15 37 1 39 15 38 1 40 16 18 1 41 16 39 1 42 16 40 1 43 17 18 1 44 18 41 1 45 18 42 1