@MOLECULE (3beta,5alpha)-4-methyleneergosta-8(14),24(28)-dien-3-ol 76 79 0 0 0 SMALL GASTEIGER @ATOM 1 O -7.8283 -0.3291 0.2707 O.3 1 UNL111111111 -0.5599 2 C 0.5838 -0.4613 -0.5081 C.3 1 UNL111111111 0.0733 3 C -3.5897 -0.4682 0.1433 C.3 1 UNL111111111 0.0849 4 C -2.1483 -0.4176 0.7414 C.3 1 UNL111111111 -0.1309 5 C 2.0610 -0.0015 -0.2957 C.3 1 UNL111111111 -0.1354 6 C -0.2042 0.8043 -0.2485 C.2 1 UNL111111111 -0.0610 7 C -1.4273 0.8250 0.2894 C.2 1 UNL111111111 -0.0487 8 C -4.3238 0.8395 0.5704 C.3 1 UNL111111111 -0.1466 9 C 0.1445 -1.5208 0.5154 C.3 1 UNL111111111 -0.2933 10 C -1.3740 -1.7186 0.4499 C.3 1 UNL111111111 -0.2764 11 C 2.0652 1.4601 -0.8094 C.3 1 UNL111111111 -0.2751 12 C 0.6378 1.9981 -0.5827 C.3 1 UNL111111111 -0.2777 13 C -2.1492 2.1037 0.5930 C.3 1 UNL111111111 -0.2806 14 C -4.3457 -1.6713 0.7602 C.3 1 UNL111111111 -0.2950 15 C -3.5792 2.0723 0.0419 C.3 1 UNL111111111 -0.2630 16 C 3.1448 -0.8482 -0.9843 C.3 1 UNL111111111 -0.0909 17 C 0.3254 -0.9297 -1.9455 C.3 1 UNL111111111 -0.4525 18 C -3.5493 -0.5947 -1.3839 C.3 1 UNL111111111 -0.4622 19 C -5.7627 0.7930 0.1365 C.2 1 UNL111111111 -0.0103 20 C -5.8242 -1.6892 0.3642 C.3 1 UNL111111111 -0.3258 21 C -6.4972 -0.3661 0.7625 C.3 1 UNL111111111 0.1398 22 C 4.5396 -0.1998 -0.8456 C.3 1 UNL111111111 -0.2753 23 C 3.1831 -2.2788 -0.4330 C.3 1 UNL111111111 -0.4511 24 C -6.3595 1.6474 -0.6926 C.2 1 UNL111111111 -0.3322 25 C 4.9850 -0.0067 0.6117 C.3 1 UNL111111111 -0.2960 26 C 6.3669 0.5779 0.6465 C.2 1 UNL111111111 0.0429 27 C 7.4919 -0.3918 0.3793 C.3 1 UNL111111111 -0.0892 28 C 6.5680 1.8734 0.8984 C.2 1 UNL111111111 -0.3828 29 C 8.3154 0.0635 -0.8329 C.3 1 UNL111111111 -0.4447 30 C 8.3806 -0.5172 1.6241 C.3 1 UNL111111111 -0.4448 31 H -2.2465 -0.3343 1.8573 H 1 UNL111111111 0.1400 32 H 2.2581 0.0036 0.8015 H 1 UNL111111111 0.1379 33 H -4.3077 0.8893 1.6915 H 1 UNL111111111 0.1436 34 H 0.4402 -1.2046 1.5331 H 1 UNL111111111 0.1408 35 H 0.6567 -2.4806 0.3301 H 1 UNL111111111 0.1384 36 H -1.6452 -2.1129 -0.5478 H 1 UNL111111111 0.1461 37 H -1.6759 -2.4975 1.1742 H 1 UNL111111111 0.1301 38 H 2.3269 1.4976 -1.8792 H 1 UNL111111111 0.1365 39 H 2.8151 2.0667 -0.2808 H 1 UNL111111111 0.1364 40 H 0.2571 2.5168 -1.4807 H 1 UNL111111111 0.1460 41 H 0.6248 2.7401 0.2360 H 1 UNL111111111 0.1436 42 H -2.1656 2.2625 1.6915 H 1 UNL111111111 0.1449 43 H -1.6178 2.9815 0.1765 H 1 UNL111111111 0.1423 44 H -3.8701 -2.6173 0.4403 H 1 UNL111111111 0.1439 45 H -4.2522 -1.6438 1.8620 H 1 UNL111111111 0.1369 46 H -4.1165 2.9942 0.3336 H 1 UNL111111111 0.1392 47 H -3.5564 2.0639 -1.0645 H 1 UNL111111111 0.1482 48 H 2.9151 -0.9004 -2.0782 H 1 UNL111111111 0.1353 49 H 0.7831 -1.9032 -2.1417 H 1 UNL111111111 0.1424 50 H 0.7228 -0.2108 -2.6707 H 1 UNL111111111 0.1474 51 H -0.7501 -1.0197 -2.1415 H 1 UNL111111111 0.1510 52 H -2.7931 0.0747 -1.8139 H 1 UNL111111111 0.1564 53 H -4.5152 -0.3264 -1.8304 H 1 UNL111111111 0.1570 54 H -3.3110 -1.6123 -1.7061 H 1 UNL111111111 0.1402 55 H -6.3382 -2.5433 0.8377 H 1 UNL111111111 0.1339 56 H -5.9294 -1.8362 -0.7293 H 1 UNL111111111 0.1613 57 H -6.5551 -0.2492 1.8695 H 1 UNL111111111 0.1206 58 H 5.2811 -0.8243 -1.3806 H 1 UNL111111111 0.1365 59 H 4.5523 0.7778 -1.3642 H 1 UNL111111111 0.1405 60 H 2.3090 -2.8537 -0.7581 H 1 UNL111111111 0.1426 61 H 4.0715 -2.8155 -0.7833 H 1 UNL111111111 0.1421 62 H 3.2001 -2.2904 0.6617 H 1 UNL111111111 0.1441 63 H -5.8733 2.4828 -1.1653 H 1 UNL111111111 0.1433 64 H -7.4046 1.5657 -0.9640 H 1 UNL111111111 0.1659 65 H 4.2661 0.6484 1.1438 H 1 UNL111111111 0.1504 66 H 4.9577 -0.9719 1.1549 H 1 UNL111111111 0.1481 67 H -8.3110 -1.1361 0.5246 H 1 UNL111111111 0.3105 68 H 7.0705 -1.4039 0.1499 H 1 UNL111111111 0.1366 69 H 7.5419 2.3315 0.9295 H 1 UNL111111111 0.1454 70 H 5.7739 2.5745 1.0916 H 1 UNL111111111 0.1460 71 H 9.1800 -1.2487 1.4681 H 1 UNL111111111 0.1420 72 H 8.8503 0.4394 1.8789 H 1 UNL111111111 0.1483 73 H 7.6811 0.1803 -1.7186 H 1 UNL111111111 0.1443 74 H 8.8009 1.0283 -0.6491 H 1 UNL111111111 0.1481 75 H 7.7972 -0.8372 2.4944 H 1 UNL111111111 0.1443 76 H 9.0997 -0.6613 -1.0737 H 1 UNL111111111 0.1415 @BOND 1 1 21 1 2 1 67 1 3 2 5 1 4 2 6 1 5 2 9 1 6 2 17 1 7 3 4 1 8 3 8 1 9 3 14 1 10 3 18 1 11 4 7 1 12 4 10 1 13 4 31 1 14 5 11 1 15 5 16 1 16 5 32 1 17 6 7 2 18 6 12 1 19 7 13 1 20 8 15 1 21 8 19 1 22 8 33 1 23 9 10 1 24 9 34 1 25 9 35 1 26 10 36 1 27 10 37 1 28 11 12 1 29 11 38 1 30 11 39 1 31 12 40 1 32 12 41 1 33 13 15 1 34 13 42 1 35 13 43 1 36 14 20 1 37 14 44 1 38 14 45 1 39 15 46 1 40 15 47 1 41 16 22 1 42 16 23 1 43 16 48 1 44 17 49 1 45 17 50 1 46 17 51 1 47 18 52 1 48 18 53 1 49 18 54 1 50 19 21 1 51 19 24 2 52 20 21 1 53 20 55 1 54 20 56 1 55 21 57 1 56 22 25 1 57 22 58 1 58 22 59 1 59 23 60 1 60 23 61 1 61 23 62 1 62 24 63 1 63 24 64 1 64 25 26 1 65 25 65 1 66 25 66 1 67 26 27 1 68 26 28 2 69 27 29 1 70 27 30 1 71 27 68 1 72 28 69 1 73 28 70 1 74 29 73 1 75 29 74 1 76 29 76 1 77 30 71 1 78 30 72 1 79 30 75 1