@MOLECULE 12,13-didehydro-2,3-dimethoxy-12,24-secostrychnidin-10-one 55 60 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.0256 -3.7090 -0.4254 O.2 1 UNL1111111111 -0.4855 2 O 4.5286 1.7412 0.5760 O.3 1 UNL1111111111 -0.3289 3 O 4.9347 -1.1335 0.4415 O.3 1 UNL1111111111 -0.2892 4 O -5.0981 -0.0785 2.4448 O.3 1 UNL1111111111 -0.5437 5 N -1.9388 2.4598 -0.7358 N.3 1 UNL1111111111 -0.4073 6 N 0.3421 -1.5830 -0.8527 N.am 1 UNL1111111111 -0.4811 7 C -0.1643 0.7982 -0.8343 C.3 1 UNL1111111111 0.0107 8 C -0.9414 1.7582 0.1146 C.3 1 UNL1111111111 0.0423 9 C -0.8078 -0.6295 -0.9661 C.3 1 UNL1111111111 0.0569 10 C -0.1872 1.5507 -2.1913 C.3 1 UNL1111111111 -0.3231 11 C -1.5562 1.0617 1.3177 C.3 1 UNL1111111111 -0.2931 12 C -2.5762 0.0264 0.8327 C.3 1 UNL1111111111 -0.1329 13 C -1.8778 -1.0214 0.0253 C.2 1 UNL1111111111 -0.0477 14 C -1.1861 2.7165 -1.9989 C.3 1 UNL1111111111 -0.1242 15 C 1.2399 0.5112 -0.4067 C.ar 1 UNL1111111111 -0.1681 16 C -3.1730 1.6877 -1.0319 C.3 1 UNL1111111111 -0.1432 17 C -3.6353 0.7257 0.0313 C.2 1 UNL1111111111 0.0502 18 C 1.5005 -0.8823 -0.4592 C.ar 1 UNL1111111111 0.2391 19 C -2.1506 -2.3264 0.1682 C.2 1 UNL1111111111 -0.1814 20 C 0.1117 -2.9373 -0.5887 C.2 1 UNL1111111111 0.6019 21 C 2.2367 1.3879 -0.0387 C.ar 1 UNL1111111111 -0.1251 22 C -1.3479 -3.3484 -0.5677 C.3 1 UNL1111111111 -0.3607 23 C 2.7496 -1.4025 -0.1731 C.ar 1 UNL1111111111 -0.2882 24 C -4.9488 0.5082 0.1831 C.2 1 UNL1111111111 -0.2596 25 C 3.5004 0.8760 0.2811 C.ar 1 UNL1111111111 0.0150 26 C 3.7644 -0.4989 0.1990 C.ar 1 UNL1111111111 0.2325 27 C -5.5449 -0.4656 1.1483 C.3 1 UNL1111111111 0.0114 28 C 4.3233 2.4474 1.7976 C.3 1 UNL1111111111 -0.2028 29 C 6.0856 -0.3434 0.7110 C.3 1 UNL1111111111 -0.1932 30 H -0.2366 2.5564 0.4768 H 1 UNL1111111111 0.1533 31 H -1.2387 -0.7488 -1.9976 H 1 UNL1111111111 0.1537 32 H -0.4784 0.8963 -3.0248 H 1 UNL1111111111 0.1446 33 H 0.8176 1.9262 -2.4502 H 1 UNL1111111111 0.1619 34 H -2.0551 1.8014 1.9766 H 1 UNL1111111111 0.1662 35 H -0.7684 0.5781 1.9276 H 1 UNL1111111111 0.1596 36 H -3.0418 -0.4492 1.7428 H 1 UNL1111111111 0.1880 37 H -1.8593 2.8460 -2.8620 H 1 UNL1111111111 0.1322 38 H -0.6553 3.6833 -1.8666 H 1 UNL1111111111 0.1477 39 H -3.0855 1.1036 -1.9809 H 1 UNL1111111111 0.1340 40 H -3.9548 2.4690 -1.2081 H 1 UNL1111111111 0.1567 41 H -2.9232 -2.7038 0.8295 H 1 UNL1111111111 0.1603 42 H 2.0635 2.4614 -0.0018 H 1 UNL1111111111 0.1652 43 H -1.4309 -4.3540 -0.0998 H 1 UNL1111111111 0.1859 44 H -1.7214 -3.4770 -1.6076 H 1 UNL1111111111 0.1825 45 H 2.9597 -2.4728 -0.2266 H 1 UNL1111111111 0.2153 46 H -5.6814 1.0607 -0.4023 H 1 UNL1111111111 0.1521 47 H -5.1917 -1.5002 0.9642 H 1 UNL1111111111 0.1193 48 H -6.6497 -0.4489 1.1238 H 1 UNL1111111111 0.1116 49 H -5.6553 -0.4897 3.1313 H 1 UNL1111111111 0.3054 50 H 5.2587 3.0058 1.9149 H 1 UNL1111111111 0.1394 51 H 4.1759 1.7545 2.6311 H 1 UNL1111111111 0.1311 52 H 3.4763 3.1338 1.7093 H 1 UNL1111111111 0.1294 53 H 6.8759 -1.1040 0.7573 H 1 UNL1111111111 0.1439 54 H 5.9834 0.1734 1.6691 H 1 UNL1111111111 0.1346 55 H 6.2767 0.3680 -0.0996 H 1 UNL1111111111 0.1448 @BOND 1 1 20 2 2 2 25 1 3 2 28 1 4 3 26 1 5 3 29 1 6 4 27 1 7 4 49 1 8 5 8 1 9 5 14 1 10 5 16 1 11 6 9 1 12 6 18 1 13 6 20 am 14 7 8 1 15 7 9 1 16 7 10 1 17 7 15 1 18 8 11 1 19 8 30 1 20 9 13 1 21 9 31 1 22 10 14 1 23 10 32 1 24 10 33 1 25 11 12 1 26 11 34 1 27 11 35 1 28 12 13 1 29 12 17 1 30 12 36 1 31 13 19 2 32 14 37 1 33 14 38 1 34 15 18 ar 35 15 21 ar 36 16 17 1 37 16 39 1 38 16 40 1 39 17 24 2 40 18 23 ar 41 19 22 1 42 19 41 1 43 20 22 1 44 21 25 ar 45 21 42 1 46 22 43 1 47 22 44 1 48 23 26 ar 49 23 45 1 50 24 27 1 51 24 46 1 52 25 26 ar 53 27 47 1 54 27 48 1 55 28 50 1 56 28 51 1 57 28 52 1 58 29 53 1 59 29 54 1 60 29 55 1