@MOLECULE (3beta,5alpha,23beta)-17,23-epoxy-5,6-dihydro-3-hydroxyveratraman-11-one 72 77 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.8333 0.1055 0.8534 O.3 1 UNL1111111111 -0.4253 2 O 1.3725 -1.6381 -1.4685 O.2 1 UNL1111111111 -0.4678 3 O 7.8190 -1.3781 0.3979 O.3 1 UNL1111111111 -0.5763 4 N -5.9465 0.0636 -0.9656 N.3 1 UNL1111111111 -0.5429 5 C 3.7541 -0.3824 0.0261 C.3 1 UNL1111111111 0.0993 6 C 2.5116 0.3015 -0.5662 C.3 1 UNL1111111111 -0.2661 7 C 1.8951 1.2892 0.4581 C.3 1 UNL1111111111 -0.1161 8 C 0.5175 1.6018 -0.1664 C.3 1 UNL1111111111 -0.1147 9 C 4.7528 0.7797 0.3308 C.3 1 UNL1111111111 -0.1134 10 C -2.3221 0.7539 -0.3303 C.3 1 UNL1111111111 0.2303 11 C 2.8605 2.4409 0.7016 C.3 1 UNL1111111111 -0.2767 12 C 0.0910 0.2522 -0.7023 C.2 1 UNL1111111111 -0.2256 13 C 4.1646 1.8482 1.2711 C.3 1 UNL1111111111 -0.2804 14 C 1.3156 -0.5406 -0.9793 C.2 1 UNL1111111111 0.4864 15 C 4.4011 -1.2999 -1.0355 C.3 1 UNL1111111111 -0.2996 16 C -0.5210 2.1081 0.8330 C.3 1 UNL1111111111 -0.2696 17 C -1.8714 2.1550 0.1115 C.3 1 UNL1111111111 -0.3042 18 C -1.1817 -0.1585 -0.7648 C.2 1 UNL1111111111 0.0939 19 C -3.4794 0.7836 -1.4025 C.3 1 UNL1111111111 -0.1618 20 C 6.0654 0.2179 0.8880 C.3 1 UNL1111111111 -0.3557 21 C 3.3847 -1.2090 1.2614 C.3 1 UNL1111111111 -0.4617 22 C -4.5089 -0.1727 -0.7543 C.3 1 UNL1111111111 -0.0302 23 C 5.7534 -1.8478 -0.5757 C.3 1 UNL1111111111 -0.2952 24 C -4.2481 0.0696 0.7556 C.3 1 UNL1111111111 0.1033 25 C 6.6963 -0.7107 -0.1618 C.3 1 UNL1111111111 0.1687 26 C -4.8662 -1.0638 1.5564 C.3 1 UNL1111111111 -0.3189 27 C -4.0706 2.1577 -1.6833 C.3 1 UNL1111111111 -0.4366 28 C -1.5684 -1.5346 -1.1708 C.3 1 UNL1111111111 -0.4743 29 C -6.3840 -1.0011 1.2701 C.3 1 UNL1111111111 -0.0824 30 C -6.7003 -1.0057 -0.2522 C.3 1 UNL1111111111 -0.1261 31 C -7.0933 -2.1823 1.9332 C.3 1 UNL1111111111 -0.4588 32 H 2.8252 0.8639 -1.4839 H 1 UNL1111111111 0.1643 33 H 1.7192 0.7646 1.4303 H 1 UNL1111111111 0.1527 34 H 0.6287 2.3337 -0.9989 H 1 UNL1111111111 0.1455 35 H 4.9790 1.2837 -0.6436 H 1 UNL1111111111 0.1324 36 H 2.4300 3.1722 1.4083 H 1 UNL1111111111 0.1368 37 H 3.0626 2.9995 -0.2291 H 1 UNL1111111111 0.1370 38 H 4.9038 2.6542 1.4267 H 1 UNL1111111111 0.1312 39 H 3.9766 1.4141 2.2700 H 1 UNL1111111111 0.1420 40 H -0.2459 3.1024 1.2227 H 1 UNL1111111111 0.1356 41 H -0.5849 1.4357 1.7117 H 1 UNL1111111111 0.1580 42 H 4.5194 -0.7542 -1.9889 H 1 UNL1111111111 0.1353 43 H 3.7103 -2.1392 -1.2629 H 1 UNL1111111111 0.1697 44 H -2.6434 2.5859 0.7781 H 1 UNL1111111111 0.1535 45 H -1.7963 2.8297 -0.7618 H 1 UNL1111111111 0.1472 46 H -3.1021 0.3641 -2.3608 H 1 UNL1111111111 0.1463 47 H 6.7597 1.0339 1.1491 H 1 UNL1111111111 0.1327 48 H 5.8895 -0.3405 1.8264 H 1 UNL1111111111 0.1603 49 H 3.0366 -0.5851 2.0901 H 1 UNL1111111111 0.1436 50 H 2.5887 -1.9266 1.0226 H 1 UNL1111111111 0.1571 51 H 4.2392 -1.7867 1.6319 H 1 UNL1111111111 0.1528 52 H -4.2281 -1.2240 -1.0275 H 1 UNL1111111111 0.1260 53 H 5.6298 -2.5500 0.2724 H 1 UNL1111111111 0.1583 54 H 6.2231 -2.4474 -1.3782 H 1 UNL1111111111 0.1481 55 H -4.6319 1.0598 1.0866 H 1 UNL1111111111 0.1366 56 H 7.0524 -0.1359 -1.0446 H 1 UNL1111111111 0.1075 57 H -4.6637 -0.9493 2.6356 H 1 UNL1111111111 0.1532 58 H -4.4374 -2.0405 1.2741 H 1 UNL1111111111 0.1522 59 H -4.9091 2.0853 -2.3891 H 1 UNL1111111111 0.1507 60 H -4.4794 2.6191 -0.7747 H 1 UNL1111111111 0.1583 61 H -3.3370 2.8419 -2.1225 H 1 UNL1111111111 0.1425 62 H -2.2885 -1.9676 -0.4577 H 1 UNL1111111111 0.1695 63 H -0.7075 -2.2275 -1.2044 H 1 UNL1111111111 0.1948 64 H -2.0167 -1.5594 -2.1730 H 1 UNL1111111111 0.1581 65 H -6.1850 0.0818 -1.9539 H 1 UNL1111111111 0.2558 66 H -6.7782 -0.0448 1.6946 H 1 UNL1111111111 0.1457 67 H -6.4985 -2.0135 -0.6716 H 1 UNL1111111111 0.1152 68 H -7.7820 -0.7964 -0.3972 H 1 UNL1111111111 0.1393 69 H 8.4517 -0.7440 0.7757 H 1 UNL1111111111 0.3111 70 H -6.9247 -2.1865 3.0167 H 1 UNL1111111111 0.1498 71 H -8.1765 -2.1423 1.7736 H 1 UNL1111111111 0.1443 72 H -6.7358 -3.1427 1.5449 H 1 UNL1111111111 0.1470 @BOND 1 1 10 1 2 1 24 1 3 2 14 2 4 3 25 1 5 3 69 1 6 4 22 1 7 4 30 1 8 4 65 1 9 5 6 1 10 5 9 1 11 5 15 1 12 5 21 1 13 6 7 1 14 6 14 1 15 6 32 1 16 7 8 1 17 7 11 1 18 7 33 1 19 8 12 1 20 8 16 1 21 8 34 1 22 9 13 1 23 9 20 1 24 9 35 1 25 10 17 1 26 10 18 1 27 10 19 1 28 11 13 1 29 11 36 1 30 11 37 1 31 12 14 1 32 12 18 2 33 13 38 1 34 13 39 1 35 15 23 1 36 15 42 1 37 15 43 1 38 16 17 1 39 16 40 1 40 16 41 1 41 17 44 1 42 17 45 1 43 18 28 1 44 19 22 1 45 19 27 1 46 19 46 1 47 20 25 1 48 20 47 1 49 20 48 1 50 21 49 1 51 21 50 1 52 21 51 1 53 22 24 1 54 22 52 1 55 23 25 1 56 23 53 1 57 23 54 1 58 24 26 1 59 24 55 1 60 25 56 1 61 26 29 1 62 26 57 1 63 26 58 1 64 27 59 1 65 27 60 1 66 27 61 1 67 28 62 1 68 28 63 1 69 28 64 1 70 29 30 1 71 29 31 1 72 29 66 1 73 30 67 1 74 30 68 1 75 31 70 1 76 31 71 1 77 31 72 1