@MOLECULE (3beta,5alpha,7alpha,15beta,24r)-4-methyleneergost-8(14)-ene-3,7,15-triol 77 80 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.0905 2.5171 1.7463 O.3 1 UNL111111 -0.5555 2 O 2.0197 2.2242 -1.9379 O.3 1 UNL111111 -0.5561 3 O 7.6811 -0.7583 -0.2276 O.3 1 UNL111111 -0.5590 4 C -0.7045 -0.5387 0.5884 C.3 1 UNL111111 0.0728 5 C 2.0062 -0.6037 -0.7090 C.3 1 UNL111111 -0.1326 6 C 3.4488 -0.6933 -0.1187 C.3 1 UNL111111 0.0812 7 C -2.1723 -0.0309 0.4090 C.3 1 UNL111111 -0.1271 8 C 0.1213 0.6919 0.2897 C.2 1 UNL111111 -0.0642 9 C 1.3371 0.6649 -0.2592 C.2 1 UNL111111 -0.0776 10 C 4.2344 0.5668 -0.5959 C.3 1 UNL111111 -0.1397 11 C -0.3242 -1.6231 -0.4320 C.3 1 UNL111111 -0.2925 12 C 1.1882 -1.8734 -0.3952 C.3 1 UNL111111 -0.2738 13 C -0.6835 1.9261 0.6015 C.3 1 UNL111111 0.1442 14 C -2.1164 1.4383 0.8946 C.3 1 UNL111111 -0.3457 15 C 2.0947 1.9335 -0.5550 C.3 1 UNL111111 0.1487 16 C 3.5562 1.8491 -0.1013 C.3 1 UNL111111 -0.3313 17 C 4.1460 -1.9486 -0.6961 C.3 1 UNL111111 -0.2946 18 C -3.2613 -0.8275 1.1468 C.3 1 UNL111111 -0.0865 19 C -0.4220 -0.9876 2.0259 C.3 1 UNL111111 -0.4516 20 C 3.4126 -0.7604 1.4112 C.3 1 UNL111111 -0.4634 21 C 5.6753 0.4724 -0.1700 C.2 1 UNL111111 -0.0129 22 C 5.6215 -2.0220 -0.2985 C.3 1 UNL111111 -0.3255 23 C 6.3569 -0.7470 -0.7397 C.3 1 UNL111111 0.1400 24 C -4.6417 -0.1418 1.0268 C.3 1 UNL111111 -0.2900 25 C -3.3550 -2.2691 0.6326 C.3 1 UNL111111 -0.4503 26 C -5.1084 0.0501 -0.4202 C.3 1 UNL111111 -0.2888 27 C 6.3186 1.3427 0.6058 C.2 1 UNL111111 -0.3241 28 C -6.5401 0.6146 -0.4891 C.3 1 UNL111111 -0.0736 29 C -7.6038 -0.4638 -0.1602 C.3 1 UNL111111 -0.3608 30 C -6.7747 1.2349 -1.8710 C.3 1 UNL111111 -0.4574 31 C -7.7648 -1.5065 -1.2724 C.3 1 UNL111111 -0.4201 32 C -8.8857 0.1358 0.1683 C.3 1 UNL111111 0.1182 33 H 2.0928 -0.5400 -1.8275 H 1 UNL111111 0.1369 34 H -2.4041 -0.0422 -0.6816 H 1 UNL111111 0.1402 35 H 4.2184 0.5801 -1.7177 H 1 UNL111111 0.1372 36 H -0.6306 -1.3084 -1.4474 H 1 UNL111111 0.1426 37 H -0.8654 -2.5623 -0.2255 H 1 UNL111111 0.1403 38 H 1.4642 -2.2711 0.6005 H 1 UNL111111 0.1480 39 H 1.4472 -2.6676 -1.1193 H 1 UNL111111 0.1310 40 H -0.6518 2.6734 -0.2220 H 1 UNL111111 0.1289 41 H -2.3192 1.4971 1.9785 H 1 UNL111111 0.1554 42 H -2.8734 2.0563 0.3930 H 1 UNL111111 0.1422 43 H 1.6050 2.8354 -0.1111 H 1 UNL111111 0.1585 44 H 4.1032 2.7360 -0.4796 H 1 UNL111111 0.1602 45 H 3.5961 1.9071 1.0045 H 1 UNL111111 0.1629 46 H 3.6287 -2.8608 -0.3432 H 1 UNL111111 0.1444 47 H 4.0523 -1.9564 -1.7978 H 1 UNL111111 0.1357 48 H -3.0045 -0.8601 2.2359 H 1 UNL111111 0.1382 49 H -0.9341 -1.9215 2.2701 H 1 UNL111111 0.1410 50 H -0.7365 -0.2191 2.7439 H 1 UNL111111 0.1561 51 H 0.6536 -1.1407 2.1884 H 1 UNL111111 0.1534 52 H 2.6952 -0.0380 1.8243 H 1 UNL111111 0.1620 53 H 4.3938 -0.5256 1.8436 H 1 UNL111111 0.1591 54 H 3.1249 -1.7517 1.7729 H 1 UNL111111 0.1407 55 H 5.7214 -2.1368 0.7996 H 1 UNL111111 0.1624 56 H 6.0948 -2.9156 -0.7404 H 1 UNL111111 0.1341 57 H 6.4322 -0.6768 -1.8496 H 1 UNL111111 0.1198 58 H -4.6162 0.8370 1.5415 H 1 UNL111111 0.1361 59 H -5.3828 -0.7462 1.5835 H 1 UNL111111 0.1303 60 H -3.4146 -2.3071 -0.4601 H 1 UNL111111 0.1441 61 H -2.4845 -2.8597 0.9399 H 1 UNL111111 0.1456 62 H -4.2430 -2.7745 1.0274 H 1 UNL111111 0.1409 63 H -0.6352 3.2595 2.0686 H 1 UNL111111 0.3095 64 H 2.4233 1.5150 -2.4721 H 1 UNL111111 0.3085 65 H -4.4183 0.7365 -0.9462 H 1 UNL111111 0.1452 66 H -5.0505 -0.9062 -0.9744 H 1 UNL111111 0.1436 67 H 7.3619 1.2285 0.8734 H 1 UNL111111 0.1653 68 H 5.8770 2.2251 1.0365 H 1 UNL111111 0.1461 69 H 8.1447 -1.5726 -0.4935 H 1 UNL111111 0.3107 70 H -6.6377 1.4262 0.2771 H 1 UNL111111 0.1350 71 H -7.2682 -0.9978 0.7768 H 1 UNL111111 0.1800 72 H -6.5638 0.5246 -2.6766 H 1 UNL111111 0.1477 73 H -6.1268 2.1055 -2.0272 H 1 UNL111111 0.1457 74 H -7.8100 1.5728 -1.9869 H 1 UNL111111 0.1467 75 H -8.4025 -2.3366 -0.9493 H 1 UNL111111 0.1440 76 H -6.7967 -1.9208 -1.5736 H 1 UNL111111 0.1462 77 H -8.2275 -1.0736 -2.1670 H 1 UNL111111 0.1473 @BOND 1 74 30 1 2 77 31 1 3 32 29 1 4 30 73 1 5 30 72 1 6 30 28 1 7 31 75 1 8 31 29 1 9 31 76 1 10 29 28 1 11 29 71 1 12 70 28 1 13 28 26 1 14 65 26 1 15 26 66 1 16 26 24 1 17 58 24 1 18 59 24 1 19 24 18 1 20 42 14 1 21 34 7 1 22 14 41 1 23 14 7 1 24 14 13 1 25 40 13 1 26 60 25 1 27 18 7 1 28 18 25 1 29 18 48 1 30 62 25 1 31 7 4 1 32 25 61 1 33 13 1 1 34 13 8 1 35 63 1 1 36 36 11 1 37 2 64 1 38 2 15 1 39 43 15 1 40 8 4 1 41 8 9 2 42 4 11 1 43 4 19 1 44 11 37 1 45 11 12 1 46 15 9 1 47 15 16 1 48 9 5 1 49 50 19 1 50 33 5 1 51 19 49 1 52 19 51 1 53 5 12 1 54 5 6 1 55 12 39 1 56 12 38 1 57 44 16 1 58 16 45 1 59 16 10 1 60 35 10 1 61 10 6 1 62 10 21 1 63 6 20 1 64 6 17 1 65 52 20 1 66 47 17 1 67 20 54 1 68 20 53 1 69 17 46 1 70 17 22 1 71 68 27 1 72 21 27 2 73 21 23 1 74 57 23 1 75 27 67 1 76 23 22 1 77 23 3 1 78 22 56 1 79 22 55 1 80 3 69 1