@MOLECULE (5alpha,7alpha,13alpha,17alpha,20s,21r,23r,24s)-21-acetoxy-7-hydroxy-4,4,8-trimethyl-21,23:24,25-diepoxycholesta-1,14-dien-3-one 71 76 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.6116 -2.2617 -1.3325 O.3 1 UNL111111 -0.2321 2 O 4.6341 0.9614 -1.6347 O.3 1 UNL111111 -0.3875 3 O 7.4718 0.4230 0.0376 O.3 1 UNL111111 -0.3165 4 O 3.2440 1.3663 0.1188 O.3 1 UNL111111 -0.5143 5 O -7.4473 1.8035 -0.1458 O.2 1 UNL111111 -0.4465 6 O 2.6150 3.4299 -0.5769 O.2 1 UNL111111 -0.4606 7 C -1.8154 -1.2341 0.6841 C.3 1 UNL111111 0.0339 8 C -2.1895 0.2063 0.2462 C.3 1 UNL111111 -0.1383 9 C 0.4567 -0.4398 -0.3825 C.3 1 UNL111111 0.0711 10 C -3.6713 0.6142 0.4824 C.3 1 UNL111111 0.0260 11 C -0.4116 -1.5220 0.2444 C.2 1 UNL111111 -0.0255 12 C -4.5547 -0.4617 -0.2242 C.3 1 UNL111111 -0.1021 13 C 1.9076 -0.9987 -0.1183 C.3 1 UNL111111 -0.1327 14 C -1.1657 1.1855 0.8335 C.3 1 UNL111111 -0.2715 15 C -2.8069 -2.2191 -0.0101 C.3 1 UNL111111 0.0334 16 C 0.2520 0.9333 0.2806 C.3 1 UNL111111 -0.2997 17 C -4.2696 -1.8674 0.3200 C.3 1 UNL111111 -0.3228 18 C 2.9621 -0.6328 -1.1536 C.3 1 UNL111111 -0.1641 19 C 1.6982 -2.5386 -0.0269 C.3 1 UNL111111 -0.2762 20 C -6.0658 -0.1295 -0.1749 C.3 1 UNL111111 -0.3129 21 C 0.2627 -2.6726 0.3930 C.2 1 UNL111111 -0.2074 22 C -1.8469 -1.4752 2.1990 C.3 1 UNL111111 -0.4574 23 C 0.1480 -0.3864 -1.8846 C.3 1 UNL111111 -0.4545 24 C -4.0457 0.8246 1.9519 C.3 1 UNL111111 -0.4570 25 C -3.9486 1.9205 -0.2352 C.2 1 UNL111111 -0.0834 26 C 4.3409 -1.2745 -0.8557 C.3 1 UNL111111 -0.3311 27 C 3.2954 0.8723 -1.2213 C.3 1 UNL111111 0.3250 28 C 5.3633 -0.1573 -1.1359 C.3 1 UNL111111 0.0680 29 C -6.3304 1.3718 -0.2970 C.2 1 UNL111111 0.4692 30 C 6.0856 0.3097 0.1207 C.3 1 UNL111111 0.0939 31 C -5.1889 2.2528 -0.6020 C.2 1 UNL111111 -0.3076 32 C -6.6413 -0.6799 1.0552 C.3 1 UNL111111 0.1708 33 C -6.8127 -0.7953 -1.3468 C.3 1 UNL111111 -0.4185 34 C 6.9396 -0.6618 0.9059 C.3 1 UNL111111 -0.4349 35 C 7.1509 -2.0004 0.4313 C.3 1 UNL111111 0.2099 36 C 7.0850 -0.4707 2.3222 C.3 1 UNL111111 0.2107 37 C 2.9892 2.6935 0.3097 C.2 1 UNL111111 0.3358 38 C 3.1905 3.0646 1.7023 C.3 1 UNL111111 0.3174 39 H -2.0636 0.2313 -0.8768 H 1 UNL111111 0.1612 40 H -4.2581 -0.4546 -1.3090 H 1 UNL111111 0.1614 41 H 2.2379 -0.6345 0.8827 H 1 UNL111111 0.1480 42 H -1.4567 2.2307 0.6172 H 1 UNL111111 0.1404 43 H -1.1584 1.1108 1.9370 H 1 UNL111111 0.1390 44 H -2.5714 -3.2779 0.3119 H 1 UNL111111 0.1840 45 H 0.9746 1.0538 1.1112 H 1 UNL111111 0.1385 46 H 0.5091 1.7287 -0.4480 H 1 UNL111111 0.1511 47 H -4.9491 -2.6023 -0.1573 H 1 UNL111111 0.1590 48 H -4.4516 -1.9390 1.4066 H 1 UNL111111 0.1565 49 H 2.6240 -0.9533 -2.1706 H 1 UNL111111 0.1700 50 H 1.8737 -3.0337 -0.9987 H 1 UNL111111 0.1518 51 H 2.3909 -3.0003 0.6933 H 1 UNL111111 0.1407 52 H -0.1001 -3.6066 0.7748 H 1 UNL111111 0.1453 53 H -2.8403 -1.3062 2.6316 H 1 UNL111111 0.1539 54 H -1.1469 -0.8042 2.7191 H 1 UNL111111 0.1566 55 H -1.5497 -2.4925 2.4499 H 1 UNL111111 0.1458 56 H 0.6875 0.4161 -2.3913 H 1 UNL111111 0.1438 57 H -0.9245 -0.2258 -2.0679 H 1 UNL111111 0.1615 58 H 0.3949 -1.3438 -2.3673 H 1 UNL111111 0.1559 59 H -4.0924 -0.1169 2.5084 H 1 UNL111111 0.1538 60 H -5.0287 1.2996 2.0555 H 1 UNL111111 0.1578 61 H -3.3213 1.4736 2.4620 H 1 UNL111111 0.1553 62 H -3.0916 2.5600 -0.4403 H 1 UNL111111 0.1600 63 H 4.3984 -1.6384 0.1822 H 1 UNL111111 0.1555 64 H 4.5164 -2.1533 -1.4984 H 1 UNL111111 0.1636 65 H 2.7164 1.5109 -1.9134 H 1 UNL111111 0.1687 66 H 6.0822 -0.3955 -1.9514 H 1 UNL111111 0.1752 67 H 5.5754 1.1256 0.6567 H 1 UNL111111 0.1720 68 H -5.4392 3.1811 -1.1140 H 1 UNL111111 0.1826 69 H -6.7216 -1.8864 -1.3213 H 1 UNL111111 0.1549 70 H -6.4146 -0.4578 -2.3124 H 1 UNL111111 0.1593 71 H -7.8834 -0.5416 -1.3322 H 1 UNL111111 0.1666 @BOND 1 68 31 1 2 5 29 2 3 31 29 1 4 31 25 2 5 70 33 1 6 71 33 1 7 29 20 1 8 62 25 1 9 33 69 1 10 33 20 1 11 25 10 1 12 40 12 1 13 20 12 1 14 20 32 1 15 56 23 1 16 6 37 2 17 57 23 1 18 65 27 1 19 39 8 1 20 42 14 1 21 46 16 1 22 12 10 1 23 12 17 1 24 10 8 1 25 10 24 1 26 23 58 1 27 23 9 1 28 60 24 1 29 8 14 1 30 8 7 1 31 37 4 1 32 37 38 1 33 14 16 1 34 14 43 1 35 27 2 1 36 27 4 1 37 27 18 1 38 1 15 1 39 2 28 1 40 16 9 1 41 16 45 1 42 24 61 1 43 24 59 1 44 49 18 1 45 47 17 1 46 9 11 1 47 9 13 1 48 17 15 1 49 17 48 1 50 18 13 1 51 18 26 1 52 15 7 1 53 15 44 1 54 66 28 1 55 7 11 1 56 7 22 1 57 28 26 1 58 28 30 1 59 11 21 2 60 13 41 1 61 13 19 1 62 67 30 1 63 26 64 1 64 26 63 1 65 30 3 1 66 30 34 1 67 50 19 1 68 53 22 1 69 22 54 1 70 22 55 1 71 3 34 1 72 21 19 1 73 21 52 1 74 19 51 1 75 34 35 1 76 34 36 1