@MOLECULE (1s,3r,5z,7e,22e)-9,10-secoergosta-5,7,10,22-tetraene-1,3,24-triol 75 77 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.2822 0.9927 -1.5498 O.3 1 UNL1111111111 -0.5753 2 O 8.1697 0.3213 1.3975 O.3 1 UNL1111111111 -0.5740 3 O 4.5350 2.5151 1.0535 O.3 1 UNL1111111111 -0.5406 4 C -0.7498 -1.6795 0.0311 C.3 1 UNL1111111111 0.0866 5 C -2.1184 -1.1168 -0.4450 C.3 1 UNL1111111111 -0.1388 6 C 0.1881 -1.1821 -1.1199 C.3 1 UNL1111111111 -0.1542 7 C -1.7613 0.2614 -1.0751 C.3 1 UNL1111111111 -0.2760 8 C -0.2366 0.2770 -1.3255 C.3 1 UNL1111111111 -0.2760 9 C -0.6556 -3.2120 0.0565 C.3 1 UNL1111111111 -0.3022 10 C -3.2103 -0.9616 0.6319 C.3 1 UNL1111111111 -0.1098 11 C 1.6006 -1.5228 -0.7779 C.2 1 UNL1111111111 0.0334 12 C -0.3449 -1.0925 1.3866 C.3 1 UNL1111111111 -0.4594 13 C 0.7983 -3.6589 0.2884 C.3 1 UNL1111111111 -0.2529 14 C 1.7906 -3.0121 -0.6968 C.3 1 UNL1111111111 -0.2886 15 C -3.6624 -2.3140 1.1985 C.3 1 UNL1111111111 -0.4458 16 C -4.4012 -0.2958 0.0021 C.2 1 UNL1111111111 -0.1304 17 C 2.5618 -0.6107 -0.5752 C.2 1 UNL1111111111 -0.2327 18 C -4.8332 0.9124 0.3673 C.2 1 UNL1111111111 -0.2621 19 C 3.9273 -0.9119 -0.1891 C.2 1 UNL1111111111 -0.1490 20 C -6.0205 1.5728 -0.2765 C.3 1 UNL1111111111 0.3130 21 C 4.9505 -0.0477 -0.3160 C.2 1 UNL1111111111 -0.0138 22 C -7.3405 1.3257 0.5042 C.3 1 UNL1111111111 -0.0862 23 C 6.3282 -0.3971 0.1590 C.3 1 UNL1111111111 -0.3116 24 C -5.7446 3.0684 -0.4975 C.3 1 UNL1111111111 -0.5065 25 C 4.8355 1.2920 -0.8976 C.2 1 UNL1111111111 0.0084 26 C 6.8363 0.7034 1.1036 C.3 1 UNL1111111111 0.1884 27 C 5.4121 2.4114 -0.0585 C.3 1 UNL1111111111 0.1481 28 C 6.8340 2.0757 0.4120 C.3 1 UNL1111111111 -0.4053 29 C -7.6837 -0.1669 0.5119 C.3 1 UNL1111111111 -0.4453 30 C -7.2428 1.8512 1.9388 C.3 1 UNL1111111111 -0.4542 31 C 4.2914 1.5341 -2.0926 C.2 1 UNL1111111111 -0.3240 32 H -2.5118 -1.7880 -1.2420 H 1 UNL1111111111 0.1342 33 H -0.0759 -1.7398 -2.0588 H 1 UNL1111111111 0.1460 34 H -2.0507 1.0879 -0.4069 H 1 UNL1111111111 0.1408 35 H -2.3208 0.4092 -2.0099 H 1 UNL1111111111 0.1305 36 H 0.0152 0.6418 -2.3313 H 1 UNL1111111111 0.1347 37 H 0.2716 0.9496 -0.6133 H 1 UNL1111111111 0.1456 38 H -1.0331 -3.6333 -0.8923 H 1 UNL1111111111 0.1364 39 H -1.3031 -3.6276 0.8490 H 1 UNL1111111111 0.1391 40 H -2.8138 -0.3379 1.4701 H 1 UNL1111111111 0.1461 41 H -0.5075 -0.0090 1.4193 H 1 UNL1111111111 0.1506 42 H 0.7211 -1.2540 1.5923 H 1 UNL1111111111 0.1578 43 H -0.9125 -1.5451 2.2045 H 1 UNL1111111111 0.1402 44 H 0.8645 -4.7594 0.2080 H 1 UNL1111111111 0.1295 45 H 1.0995 -3.4111 1.3246 H 1 UNL1111111111 0.1413 46 H 2.8241 -3.2785 -0.4021 H 1 UNL1111111111 0.1448 47 H 1.6546 -3.4491 -1.7079 H 1 UNL1111111111 0.1469 48 H -2.8761 -2.7723 1.8080 H 1 UNL1111111111 0.1459 49 H -4.5447 -2.1939 1.8385 H 1 UNL1111111111 0.1465 50 H -3.9252 -3.0194 0.4033 H 1 UNL1111111111 0.1457 51 H -4.8951 -0.8735 -0.7808 H 1 UNL1111111111 0.1571 52 H 2.3361 0.4564 -0.6755 H 1 UNL1111111111 0.1677 53 H -4.3633 1.4901 1.1578 H 1 UNL1111111111 0.1519 54 H 4.0937 -1.8948 0.2577 H 1 UNL1111111111 0.1489 55 H -8.1522 1.8727 -0.0362 H 1 UNL1111111111 0.1428 56 H 6.3624 -1.3747 0.6779 H 1 UNL1111111111 0.1609 57 H 7.0223 -0.5046 -0.7015 H 1 UNL1111111111 0.1670 58 H -5.6459 3.6074 0.4489 H 1 UNL1111111111 0.1543 59 H -4.8214 3.2222 -1.0656 H 1 UNL1111111111 0.1502 60 H -6.5620 3.5295 -1.0645 H 1 UNL1111111111 0.1598 61 H 6.2531 0.7249 2.0504 H 1 UNL1111111111 0.1264 62 H 5.3895 3.3885 -0.5937 H 1 UNL1111111111 0.1184 63 H -5.5126 1.0914 -2.1393 H 1 UNL1111111111 0.3139 64 H 7.2168 2.8559 1.0897 H 1 UNL1111111111 0.1421 65 H 7.5270 2.0567 -0.4517 H 1 UNL1111111111 0.1696 66 H -6.4447 1.3483 2.4968 H 1 UNL1111111111 0.1490 67 H -7.0473 2.9275 1.9676 H 1 UNL1111111111 0.1401 68 H -8.1789 1.6748 2.4808 H 1 UNL1111111111 0.1454 69 H -6.9220 -0.7519 1.0391 H 1 UNL1111111111 0.1464 70 H -7.7416 -0.5578 -0.5135 H 1 UNL1111111111 0.1614 71 H -8.6472 -0.3517 0.9950 H 1 UNL1111111111 0.1368 72 H 4.2046 2.5148 -2.5303 H 1 UNL1111111111 0.1449 73 H 3.8867 0.7546 -2.7229 H 1 UNL1111111111 0.1598 74 H 8.5836 0.9374 2.0265 H 1 UNL1111111111 0.3134 75 H 4.8763 3.1595 1.7012 H 1 UNL1111111111 0.3061 @BOND 1 1 20 1 2 1 63 1 3 2 26 1 4 2 74 1 5 3 27 1 6 3 75 1 7 4 5 1 8 4 6 1 9 4 9 1 10 4 12 1 11 5 7 1 12 5 10 1 13 5 32 1 14 6 8 1 15 6 11 1 16 6 33 1 17 7 8 1 18 7 34 1 19 7 35 1 20 8 36 1 21 8 37 1 22 9 13 1 23 9 38 1 24 9 39 1 25 10 15 1 26 10 16 1 27 10 40 1 28 11 14 1 29 11 17 2 30 12 41 1 31 12 42 1 32 12 43 1 33 13 14 1 34 13 44 1 35 13 45 1 36 14 46 1 37 14 47 1 38 15 48 1 39 15 49 1 40 15 50 1 41 16 18 2 42 16 51 1 43 17 19 1 44 17 52 1 45 18 20 1 46 18 53 1 47 19 21 2 48 19 54 1 49 20 22 1 50 20 24 1 51 21 23 1 52 21 25 1 53 22 29 1 54 22 30 1 55 22 55 1 56 23 26 1 57 23 56 1 58 23 57 1 59 24 58 1 60 24 59 1 61 24 60 1 62 25 27 1 63 25 31 2 64 26 28 1 65 26 61 1 66 27 28 1 67 27 62 1 68 28 64 1 69 28 65 1 70 29 69 1 71 29 70 1 72 29 71 1 73 30 66 1 74 30 67 1 75 30 68 1 76 31 72 1 77 31 73 1