@MOLECULE (8alpha)-2,3-dimethoxystrychnidin-10-one 55 61 0 0 0 SMALL USER_CHARGES @ATOM 1 O -3.1055 1.6074 0.9319 O.3 1 UNL111111111 -0.3857 2 O 0.4439 3.3857 0.4677 O.2 1 UNL111111111 -0.4999 3 O 4.4603 -1.7323 0.3519 O.3 1 UNL111111111 -0.3319 4 O 4.9021 1.0679 -0.0126 O.3 1 UNL111111111 -0.3401 5 N -1.6854 -2.7951 0.3855 N.3 1 UNL111111111 -0.4060 6 N 0.1059 1.5076 -0.7427 N.am 1 UNL111111111 -0.4731 7 C -0.3876 -0.7883 -0.2394 C.3 1 UNL111111111 -0.0101 8 C -0.8176 0.4198 -1.1404 C.3 1 UNL111111111 0.0448 9 C -1.0630 -2.0824 -0.7786 C.3 1 UNL111111111 0.0480 10 C -2.3111 0.7212 -1.2504 C.3 1 UNL111111111 -0.2009 11 C -3.0770 -0.6325 -1.1751 C.3 1 UNL111111111 -0.1056 12 C -2.1494 -1.7074 -1.8142 C.3 1 UNL111111111 -0.3244 13 C -0.7720 -0.7233 1.2565 C.3 1 UNL111111111 -0.3300 14 C 1.1056 -0.5661 -0.2637 C.ar 1 UNL111111111 -0.1045 15 C -1.0711 -2.1912 1.6008 C.3 1 UNL111111111 -0.1129 16 C -2.8084 1.9071 -0.4141 C.3 1 UNL111111111 0.1203 17 C -3.5261 -1.1575 0.1618 C.2 1 UNL111111111 -0.0024 18 C -3.1579 -2.6078 0.4074 C.3 1 UNL111111111 -0.1389 19 C 1.3238 0.8406 -0.4000 C.ar 1 UNL111111111 0.1713 20 C -1.7830 3.0517 -0.3254 C.3 1 UNL111111111 -0.3938 21 C -0.3394 2.6664 -0.1109 C.2 1 UNL111111111 0.6062 22 C 2.1597 -1.4210 -0.0609 C.ar 1 UNL111111111 -0.1576 23 C -4.1771 -0.4879 1.1168 C.2 1 UNL111111111 -0.2611 24 C -4.3711 0.9873 1.1161 C.3 1 UNL111111111 -0.0350 25 C 2.5781 1.4016 -0.2702 C.ar 1 UNL111111111 -0.2054 26 C 3.4463 -0.8624 0.0401 C.ar 1 UNL111111111 0.1016 27 C 3.6453 0.5184 -0.0425 C.ar 1 UNL111111111 0.1492 28 C 5.4442 -1.8381 -0.6751 C.3 1 UNL111111111 -0.2009 29 C 5.4866 1.0305 1.2888 C.3 1 UNL111111111 -0.1954 30 H -0.4742 0.1574 -2.1951 H 1 UNL111111111 0.1556 31 H -0.3112 -2.7787 -1.2146 H 1 UNL111111111 0.1549 32 H -2.4639 1.0757 -2.3157 H 1 UNL111111111 0.1493 33 H -4.0010 -0.5261 -1.8004 H 1 UNL111111111 0.1448 34 H -2.7267 -2.6030 -2.1064 H 1 UNL111111111 0.1547 35 H -1.7017 -1.3544 -2.7572 H 1 UNL111111111 0.1475 36 H -1.6489 -0.0688 1.4158 H 1 UNL111111111 0.1806 37 H 0.0234 -0.3004 1.8900 H 1 UNL111111111 0.1616 38 H -0.1344 -2.7537 1.8073 H 1 UNL111111111 0.1526 39 H -1.7178 -2.2967 2.4879 H 1 UNL111111111 0.1356 40 H -3.7426 2.3061 -0.8916 H 1 UNL111111111 0.1194 41 H -3.5491 -2.9816 1.3782 H 1 UNL111111111 0.1470 42 H -3.6061 -3.2785 -0.3592 H 1 UNL111111111 0.1495 43 H -2.0798 3.7250 0.5172 H 1 UNL111111111 0.2014 44 H -1.8397 3.6767 -1.2419 H 1 UNL111111111 0.1793 45 H 2.0235 -2.4950 0.0410 H 1 UNL111111111 0.1772 46 H -4.5291 -0.9908 2.0167 H 1 UNL111111111 0.1550 47 H -5.1121 1.3191 0.3669 H 1 UNL111111111 0.1248 48 H -4.6795 1.3754 2.1099 H 1 UNL111111111 0.1485 49 H 2.7423 2.4774 -0.3285 H 1 UNL111111111 0.2016 50 H 5.9181 -0.8696 -0.8697 H 1 UNL111111111 0.1462 51 H 4.9961 -2.2419 -1.5872 H 1 UNL111111111 0.1277 52 H 6.1631 -2.5454 -0.2471 H 1 UNL111111111 0.1403 53 H 5.5817 -0.0000 1.6467 H 1 UNL111111111 0.1417 54 H 4.8946 1.6336 1.9850 H 1 UNL111111111 0.1358 55 H 6.4708 1.4815 1.1222 H 1 UNL111111111 0.1415 @BOND 1 35 12 1 2 32 10 1 3 30 8 1 4 34 12 1 5 12 11 1 6 12 9 1 7 33 11 1 8 51 28 1 9 10 11 1 10 10 8 1 11 10 16 1 12 44 20 1 13 31 9 1 14 11 17 1 15 8 6 1 16 8 7 1 17 40 16 1 18 50 28 1 19 9 7 1 20 9 5 1 21 6 19 1 22 6 21 am 23 28 52 1 24 28 3 1 25 16 20 1 26 16 1 1 27 19 25 ar 28 19 14 ar 29 42 18 1 30 49 25 1 31 20 21 1 32 20 43 1 33 25 27 ar 34 14 7 1 35 14 22 ar 36 7 13 1 37 21 2 2 38 22 26 ar 39 22 45 1 40 27 4 1 41 27 26 ar 42 4 29 1 43 26 3 1 44 17 18 1 45 17 23 2 46 47 24 1 47 5 18 1 48 5 15 1 49 18 41 1 50 1 24 1 51 24 23 1 52 24 48 1 53 23 46 1 54 55 29 1 55 13 36 1 56 13 15 1 57 13 37 1 58 29 53 1 59 29 54 1 60 15 38 1 61 15 39 1