@MOLECULE (3beta,5alpha,17beta,20s,22s,23s)-3-hydroxy-5,6-dihydro-17,23-epoxyveratraman-11-one 72 77 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.3626 0.2439 -1.3589 O.3 1 UNL1111111111 -0.4360 2 O 1.2240 -2.1070 -0.4758 O.2 1 UNL1111111111 -0.4687 3 O 7.7944 -0.9860 0.7523 O.3 1 UNL1111111111 -0.5783 4 N -5.5231 0.2465 1.6157 N.3 1 UNL1111111111 -0.5295 5 C 3.6934 -0.3530 0.0968 C.3 1 UNL1111111111 0.0972 6 C 2.4217 -0.0019 -0.6903 C.3 1 UNL1111111111 -0.2649 7 C 1.8580 1.3701 -0.2310 C.3 1 UNL1111111111 -0.1156 8 C 0.4459 1.3810 -0.8594 C.3 1 UNL1111111111 -0.1114 9 C 4.7071 0.7899 -0.2282 C.3 1 UNL1111111111 -0.1191 10 C -2.3818 0.5673 -0.3636 C.3 1 UNL1111111111 0.2265 11 C 2.8363 2.4728 -0.6100 C.3 1 UNL1111111111 -0.2769 12 C 0.0024 -0.0506 -0.6747 C.2 1 UNL1111111111 -0.2395 13 C 4.1662 2.1898 0.1169 C.3 1 UNL1111111111 -0.2791 14 C 1.2072 -0.9099 -0.5958 C.2 1 UNL1111111111 0.4832 15 C 4.2888 -1.6763 -0.4349 C.3 1 UNL1111111111 -0.2939 16 C -0.5396 2.3411 -0.1991 C.3 1 UNL1111111111 -0.2707 17 C -1.9500 2.0106 -0.6956 C.3 1 UNL1111111111 -0.3079 18 C -1.2671 -0.4467 -0.5149 C.2 1 UNL1111111111 0.1042 19 C -3.1026 0.4061 1.0031 C.3 1 UNL1111111111 -0.1464 20 C 6.0445 0.5290 0.4705 C.3 1 UNL1111111111 -0.3180 21 C 3.3873 -0.4907 1.5914 C.3 1 UNL1111111111 -0.4625 22 C -4.5669 0.7779 0.6397 C.3 1 UNL1111111111 -0.0081 23 C 5.6580 -1.9769 0.1813 C.3 1 UNL1111111111 -0.3327 24 C -4.6872 0.2777 -0.8296 C.3 1 UNL1111111111 0.0711 25 C 6.6231 -0.8018 -0.0316 C.3 1 UNL1111111111 0.1692 26 C -5.2465 -1.1378 -1.0117 C.3 1 UNL1111111111 -0.3208 27 C -2.5593 1.2455 2.1460 C.3 1 UNL1111111111 -0.4398 28 C -1.6281 -1.8844 -0.4283 C.3 1 UNL1111111111 -0.4628 29 C -6.3480 -1.4979 -0.0103 C.3 1 UNL1111111111 -0.1223 30 C -5.8492 -1.1756 1.4158 C.3 1 UNL1111111111 -0.1211 31 C -7.6544 -0.7678 -0.3288 C.3 1 UNL1111111111 -0.4535 32 H 2.6858 0.0512 -1.7786 H 1 UNL1111111111 0.1659 33 H 1.7366 1.3743 0.8804 H 1 UNL1111111111 0.1479 34 H 0.5128 1.6124 -1.9496 H 1 UNL1111111111 0.1502 35 H 4.8848 0.7672 -1.3342 H 1 UNL1111111111 0.1337 36 H 2.4440 3.4638 -0.3217 H 1 UNL1111111111 0.1355 37 H 2.9923 2.5140 -1.7024 H 1 UNL1111111111 0.1389 38 H 4.9139 2.9548 -0.1602 H 1 UNL1111111111 0.1341 39 H 4.0280 2.2855 1.2091 H 1 UNL1111111111 0.1406 40 H -0.2829 3.3887 -0.4396 H 1 UNL1111111111 0.1373 41 H -0.4827 2.2607 0.9022 H 1 UNL1111111111 0.1464 42 H 4.3699 -1.6407 -1.5365 H 1 UNL1111111111 0.1362 43 H 3.5837 -2.5064 -0.2191 H 1 UNL1111111111 0.1683 44 H -2.6832 2.7301 -0.2904 H 1 UNL1111111111 0.1411 45 H -1.9969 2.1342 -1.7993 H 1 UNL1111111111 0.1628 46 H -3.0724 -0.6667 1.3131 H 1 UNL1111111111 0.1590 47 H 6.7644 1.3446 0.2753 H 1 UNL1111111111 0.1474 48 H 5.9299 0.4997 1.5700 H 1 UNL1111111111 0.1599 49 H 3.0586 0.4538 2.0353 H 1 UNL1111111111 0.1432 50 H 2.5980 -1.2351 1.7571 H 1 UNL1111111111 0.1554 51 H 4.2672 -0.8185 2.1566 H 1 UNL1111111111 0.1523 52 H -4.6682 1.8942 0.6518 H 1 UNL1111111111 0.1377 53 H 5.5568 -2.1781 1.2658 H 1 UNL1111111111 0.1563 54 H 6.0738 -2.9018 -0.2561 H 1 UNL1111111111 0.1352 55 H -5.2244 1.0094 -1.4663 H 1 UNL1111111111 0.1279 56 H 6.9421 -0.7276 -1.0944 H 1 UNL1111111111 0.1087 57 H -4.4088 -1.8644 -0.9221 H 1 UNL1111111111 0.1590 58 H -5.6134 -1.2556 -2.0490 H 1 UNL1111111111 0.1507 59 H -2.5709 2.3183 1.9279 H 1 UNL1111111111 0.1442 60 H -3.1754 1.0960 3.0463 H 1 UNL1111111111 0.1625 61 H -1.5313 0.9592 2.3981 H 1 UNL1111111111 0.1488 62 H -1.1085 -2.4750 -1.2054 H 1 UNL1111111111 0.1848 63 H -2.7051 -2.0645 -0.5528 H 1 UNL1111111111 0.1583 64 H -1.3087 -2.3219 0.5317 H 1 UNL1111111111 0.1730 65 H -6.3776 0.8052 1.6163 H 1 UNL1111111111 0.2558 66 H -6.5372 -2.5981 -0.0725 H 1 UNL1111111111 0.1376 67 H -6.6112 -1.4613 2.1721 H 1 UNL1111111111 0.1379 68 H -4.9416 -1.7781 1.6432 H 1 UNL1111111111 0.1455 69 H 8.1818 -1.8653 0.6032 H 1 UNL1111111111 0.3126 70 H -8.0581 -1.0858 -1.2976 H 1 UNL1111111111 0.1491 71 H -8.4214 -0.9706 0.4267 H 1 UNL1111111111 0.1441 72 H -7.5152 0.3168 -0.3805 H 1 UNL1111111111 0.1423 @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