@MOLECULE sophocarpine 40 43 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.8575 -2.2707 0.3370 O.2 1 UNL1111111111111111 -0.5391 2 N 2.0271 0.3021 0.5498 N.3 1 UNL1111111111111111 -0.4301 3 N -1.3691 -0.6383 -0.1404 N.am 1 UNL1111111111111111 -0.5070 4 C 1.3850 0.1347 -0.7812 C.3 1 UNL1111111111111111 0.0282 5 C 0.1890 1.1069 -0.9524 C.3 1 UNL1111111111111111 -0.1553 6 C 0.8651 -1.3110 -0.9611 C.3 1 UNL1111111111111111 -0.1404 7 C -0.9782 0.7762 0.0187 C.3 1 UNL1111111111111111 0.0960 8 C 0.6908 2.5458 -0.7619 C.3 1 UNL1111111111111111 -0.2828 9 C -0.2674 -1.6029 0.0374 C.3 1 UNL1111111111111111 -0.0783 10 C 2.0070 -2.3185 -0.7722 C.3 1 UNL1111111111111111 -0.2773 11 C 2.5228 1.6931 0.7310 C.3 1 UNL1111111111111111 -0.1156 12 C 3.1773 -0.6333 0.6951 C.3 1 UNL1111111111111111 -0.1154 13 C 1.3686 2.6992 0.6013 C.3 1 UNL1111111111111111 -0.2753 14 C 2.7091 -2.0915 0.5687 C.3 1 UNL1111111111111111 -0.2725 15 C -2.1702 1.7155 -0.2962 C.3 1 UNL1111111111111111 -0.3290 16 C -2.6324 -1.0770 0.2483 C.2 1 UNL1111111111111111 0.5843 17 C -3.4621 1.2350 0.2673 C.2 1 UNL1111111111111111 -0.0707 18 C -3.6794 -0.0616 0.4951 C.2 1 UNL1111111111111111 -0.2773 19 H 2.1203 0.3478 -1.6024 H 1 UNL1111111111111111 0.1123 20 H -0.1899 0.9854 -1.9970 H 1 UNL1111111111111111 0.1462 21 H 0.4578 -1.4062 -1.9974 H 1 UNL1111111111111111 0.1469 22 H -0.6320 0.9381 1.0757 H 1 UNL1111111111111111 0.1492 23 H -0.1318 3.2740 -0.8700 H 1 UNL1111111111111111 0.1379 24 H 1.4080 2.7942 -1.5693 H 1 UNL1111111111111111 0.1404 25 H -0.6599 -2.6366 -0.1190 H 1 UNL1111111111111111 0.1715 26 H 0.1190 -1.5444 1.0823 H 1 UNL1111111111111111 0.1487 27 H 2.7313 -2.2217 -1.6022 H 1 UNL1111111111111111 0.1365 28 H 1.6169 -3.3530 -0.8311 H 1 UNL1111111111111111 0.1465 29 H 3.3306 1.9539 0.0138 H 1 UNL1111111111111111 0.1110 30 H 2.9575 1.7600 1.7537 H 1 UNL1111111111111111 0.1378 31 H 3.6114 -0.4729 1.7067 H 1 UNL1111111111111111 0.1357 32 H 3.9823 -0.4309 -0.0435 H 1 UNL1111111111111111 0.1099 33 H 1.7507 3.7271 0.7343 H 1 UNL1111111111111111 0.1358 34 H 0.6381 2.5342 1.4173 H 1 UNL1111111111111111 0.1502 35 H 2.0247 -2.3345 1.4057 H 1 UNL1111111111111111 0.1537 36 H 3.5749 -2.7699 0.6729 H 1 UNL1111111111111111 0.1348 37 H -2.2863 1.8161 -1.3999 H 1 UNL1111111111111111 0.1700 38 H -1.9309 2.7313 0.0782 H 1 UNL1111111111111111 0.1561 39 H -4.2184 1.9973 0.4483 H 1 UNL1111111111111111 0.1477 40 H -4.6156 -0.4653 0.8771 H 1 UNL1111111111111111 0.1794 @BOND 1 1 16 2 2 2 4 1 3 2 11 1 4 2 12 1 5 3 7 1 6 3 9 1 7 3 16 am 8 4 5 1 9 4 6 1 10 4 19 1 11 5 7 1 12 5 8 1 13 5 20 1 14 6 9 1 15 6 10 1 16 6 21 1 17 7 15 1 18 7 22 1 19 8 13 1 20 8 23 1 21 8 24 1 22 9 25 1 23 9 26 1 24 10 14 1 25 10 27 1 26 10 28 1 27 11 13 1 28 11 29 1 29 11 30 1 30 12 14 1 31 12 31 1 32 12 32 1 33 13 33 1 34 13 34 1 35 14 35 1 36 14 36 1 37 15 17 1 38 15 37 1 39 15 38 1 40 16 18 1 41 17 18 2 42 17 39 1 43 18 40 1