@MOLECULE (11alpha,13beta)-chelidonine 45 50 0 0 0 SMALL USER_CHARGES @ATOM 1 O 0.0820 -2.4218 -1.4533 O.3 1 UNL111111111 -0.5435 2 O 4.4841 1.8458 -0.4196 O.3 1 UNL111111111 -0.3455 3 O 5.9679 0.0576 -0.0104 O.3 1 UNL111111111 -0.3396 4 O -4.9870 1.8996 -0.3534 O.3 1 UNL111111111 -0.3351 5 O -5.9113 -0.2090 0.1675 O.3 1 UNL111111111 -0.3426 6 N 0.1120 1.5462 0.1093 N.3 1 UNL111111111 -0.3975 7 C 0.4567 -0.9255 0.4408 C.3 1 UNL111111111 -0.2235 8 C -0.3282 0.1917 -0.2989 C.3 1 UNL111111111 0.0495 9 C -0.0589 -2.2860 -0.0628 C.3 1 UNL111111111 0.1691 10 C 1.9363 -0.7253 0.2863 C.ar 1 UNL111111111 -0.0034 11 C -1.8190 0.0180 -0.1318 C.ar 1 UNL111111111 -0.0677 12 C -1.5303 -2.4577 0.3475 C.3 1 UNL111111111 -0.3492 13 C 1.5163 1.7348 -0.3113 C.3 1 UNL111111111 -0.1071 14 C -2.3668 -1.2319 0.1532 C.ar 1 UNL111111111 0.0005 15 C 2.4151 0.5654 -0.0411 C.ar 1 UNL111111111 -0.0963 16 C -2.6373 1.1514 -0.3382 C.ar 1 UNL111111111 -0.1654 17 C 2.8211 -1.7737 0.5287 C.ar 1 UNL111111111 -0.1645 18 C -0.0600 1.8085 1.5531 C.3 1 UNL111111111 -0.2784 19 C 3.7807 0.7039 -0.1197 C.ar 1 UNL111111111 0.0994 20 C -3.7642 -1.4091 0.2807 C.ar 1 UNL111111111 -0.2286 21 C -3.9884 0.9657 -0.2133 C.ar 1 UNL111111111 0.1039 22 C 4.6681 -0.3663 0.1224 C.ar 1 UNL111111111 0.1289 23 C -4.5443 -0.2981 0.0968 C.ar 1 UNL111111111 0.1420 24 C 4.2168 -1.6210 0.4490 C.ar 1 UNL111111111 -0.1844 25 C 5.8754 1.4561 -0.3625 C.3 1 UNL111111111 0.1615 26 C -6.2157 1.1759 -0.1175 C.3 1 UNL111111111 0.1561 27 H 0.2230 -0.8594 1.5380 H 1 UNL111111111 0.1693 28 H -0.1035 0.1157 -1.4055 H 1 UNL111111111 0.1606 29 H 0.5618 -3.1341 0.3110 H 1 UNL111111111 0.1431 30 H -1.5846 -2.7755 1.4107 H 1 UNL111111111 0.1644 31 H -1.9575 -3.3052 -0.2355 H 1 UNL111111111 0.1752 32 H 1.9220 2.6591 0.1633 H 1 UNL111111111 0.1613 33 H 1.5028 1.9470 -1.4111 H 1 UNL111111111 0.1650 34 H -2.1976 2.1208 -0.5799 H 1 UNL111111111 0.2020 35 H 2.4344 -2.7604 0.7863 H 1 UNL111111111 0.1620 36 H 0.6550 1.2803 2.2011 H 1 UNL111111111 0.1258 37 H -1.0818 1.5338 1.8638 H 1 UNL111111111 0.1519 38 H 0.0540 2.8934 1.7209 H 1 UNL111111111 0.1492 39 H -4.1919 -2.3787 0.5103 H 1 UNL111111111 0.1756 40 H -0.5021 -1.8007 -1.9351 H 1 UNL111111111 0.3191 41 H 4.8903 -2.4508 0.6356 H 1 UNL111111111 0.1752 42 H 6.3522 2.0359 0.4394 H 1 UNL111111111 0.1397 43 H 6.2988 1.5773 -1.3693 H 1 UNL111111111 0.1414 44 H -6.8065 1.2044 -1.0432 H 1 UNL111111111 0.1406 45 H -6.6912 1.6037 0.7756 H 1 UNL111111111 0.1400 @BOND 1 40 1 1 2 1 9 1 3 33 13 1 4 28 8 1 5 43 25 1 6 44 26 1 7 34 16 1 8 2 25 1 9 2 19 1 10 25 3 1 11 25 42 1 12 4 21 1 13 4 26 1 14 16 21 ar 15 16 11 ar 16 13 15 1 17 13 6 1 18 13 32 1 19 8 11 1 20 8 6 1 21 8 7 1 22 31 12 1 23 21 23 ar 24 11 14 ar 25 19 15 ar 26 19 22 ar 27 26 5 1 28 26 45 1 29 9 29 1 30 9 12 1 31 9 7 1 32 15 10 ar 33 3 22 1 34 23 5 1 35 23 20 ar 36 6 18 1 37 22 24 ar 38 14 20 ar 39 14 12 1 40 20 39 1 41 10 7 1 42 10 17 ar 43 12 30 1 44 7 27 1 45 24 17 ar 46 24 41 1 47 17 35 1 48 18 38 1 49 18 37 1 50 18 36 1