@MOLECULE (1s,3s,5z,7e)-9,10-secocholesta-5,7,10-triene-1,3,25-triol 74 76 0 0 0 SMALL GASTEIGER @ATOM 1 C 5.2677 -2.2997 0.3381 C.3 1 UNL1111111111 0.1481 2 O 4.9345 -3.6269 -0.0244 O.3 1 UNL1111111111 -0.5513 3 C 6.7066 -2.1186 -0.1604 C.3 1 UNL1111111111 -0.3294 4 O 8.4480 -0.6077 -0.4873 O.3 1 UNL1111111111 -0.5615 5 C 7.1669 -0.6840 0.1143 C.3 1 UNL1111111111 0.1723 6 O -8.1088 -0.5634 -1.1645 O.3 1 UNL1111111111 -0.5769 7 C 6.2248 0.3459 -0.5390 C.3 1 UNL1111111111 -0.3477 8 C 4.8132 0.1036 -0.1000 C.2 1 UNL1111111111 -0.0278 9 C 4.0506 1.0793 0.4194 C.2 1 UNL1111111111 -0.1524 10 C 2.6824 0.8703 0.8648 C.2 1 UNL1111111111 -0.2433 11 C 1.6889 1.7560 0.7090 C.2 1 UNL1111111111 0.0419 12 C 1.8418 3.0997 0.0518 C.3 1 UNL1111111111 -0.2930 13 C 4.3553 -1.2778 -0.2976 C.2 1 UNL1111111111 -0.0381 14 C 0.8077 3.3115 -1.0697 C.3 1 UNL1111111111 -0.2508 15 C -0.6281 2.9731 -0.6349 C.3 1 UNL1111111111 -0.3021 16 C -0.6914 1.5570 -0.0439 C.3 1 UNL1111111111 0.0878 17 C 0.2894 1.5329 1.1764 C.3 1 UNL1111111111 -0.1584 18 C -0.0854 0.2408 1.9112 C.3 1 UNL1111111111 -0.2753 19 C -1.6162 0.1380 1.7252 C.3 1 UNL1111111111 -0.2799 20 C -2.0340 1.1913 0.6551 C.3 1 UNL1111111111 -0.1489 21 C -0.3085 0.5122 -1.0969 C.3 1 UNL1111111111 -0.4578 22 C 3.2608 -1.5914 -0.9918 C.2 1 UNL1111111111 -0.3188 23 C -3.1593 0.6582 -0.2528 C.3 1 UNL1111111111 -0.0878 24 C -3.5267 1.6713 -1.3440 C.3 1 UNL1111111111 -0.4538 25 C -4.4130 0.3530 0.5981 C.3 1 UNL1111111111 -0.2922 26 C -5.4060 -0.5283 -0.1695 C.3 1 UNL1111111111 -0.2602 27 C -6.6102 -0.8859 0.7081 C.3 1 UNL1111111111 -0.3470 28 C -7.7689 -1.4700 -0.1260 C.3 1 UNL1111111111 0.3531 29 C -9.0058 -1.6855 0.7582 C.3 1 UNL1111111111 -0.5155 30 C -7.3863 -2.7496 -0.8712 C.3 1 UNL1111111111 -0.4737 31 H 5.2086 -2.2320 1.4513 H 1 UNL1111111111 0.1250 32 H 3.9998 -3.8188 0.1858 H 1 UNL1111111111 0.3140 33 H 7.3832 -2.8499 0.3207 H 1 UNL1111111111 0.1687 34 H 6.7693 -2.3463 -1.2446 H 1 UNL1111111111 0.1798 35 H 8.8299 0.2826 -0.3861 H 1 UNL1111111111 0.3126 36 H 7.2828 -0.4891 1.2030 H 1 UNL1111111111 0.1149 37 H -8.3227 0.3167 -0.8096 H 1 UNL1111111111 0.3129 38 H 6.5598 1.3730 -0.3085 H 1 UNL1111111111 0.1457 39 H 6.2927 0.2508 -1.6458 H 1 UNL1111111111 0.1744 40 H 4.4424 2.0908 0.5429 H 1 UNL1111111111 0.1497 41 H 2.4975 -0.0940 1.3443 H 1 UNL1111111111 0.1616 42 H 1.7281 3.8922 0.8205 H 1 UNL1111111111 0.1480 43 H 2.8580 3.2341 -0.3670 H 1 UNL1111111111 0.1457 44 H 0.8521 4.3608 -1.4161 H 1 UNL1111111111 0.1318 45 H 1.0852 2.6918 -1.9446 H 1 UNL1111111111 0.1422 46 H -0.9834 3.7112 0.1066 H 1 UNL1111111111 0.1364 47 H -1.3077 3.0665 -1.5006 H 1 UNL1111111111 0.1426 48 H 0.0265 2.3896 1.8541 H 1 UNL1111111111 0.1484 49 H 0.4227 -0.6351 1.4749 H 1 UNL1111111111 0.1420 50 H 0.2009 0.2719 2.9722 H 1 UNL1111111111 0.1347 51 H -1.8958 -0.8788 1.4072 H 1 UNL1111111111 0.1390 52 H -2.1408 0.3268 2.6734 H 1 UNL1111111111 0.1313 53 H -2.4126 2.1011 1.1739 H 1 UNL1111111111 0.1327 54 H 0.7487 0.5972 -1.3770 H 1 UNL1111111111 0.1523 55 H -0.4582 -0.5067 -0.7228 H 1 UNL1111111111 0.1488 56 H -0.9030 0.6240 -2.0087 H 1 UNL1111111111 0.1445 57 H 2.9343 -2.6003 -1.1871 H 1 UNL1111111111 0.1490 58 H 2.6157 -0.8477 -1.4385 H 1 UNL1111111111 0.1566 59 H -2.8159 -0.2857 -0.7386 H 1 UNL1111111111 0.1377 60 H -3.7283 2.6612 -0.9223 H 1 UNL1111111111 0.1423 61 H -2.7244 1.7741 -2.0826 H 1 UNL1111111111 0.1436 62 H -4.4243 1.3589 -1.8913 H 1 UNL1111111111 0.1485 63 H -4.1276 -0.1535 1.5377 H 1 UNL1111111111 0.1364 64 H -4.8962 1.2990 0.9021 H 1 UNL1111111111 0.1368 65 H -5.7525 -0.0104 -1.0869 H 1 UNL1111111111 0.1544 66 H -4.9036 -1.4493 -0.5195 H 1 UNL1111111111 0.1369 67 H -6.3133 -1.6101 1.4877 H 1 UNL1111111111 0.1462 68 H -6.9610 0.0127 1.2487 H 1 UNL1111111111 0.1400 69 H -9.8690 -1.9716 0.1437 H 1 UNL1111111111 0.1633 70 H -8.8402 -2.4807 1.4908 H 1 UNL1111111111 0.1534 71 H -9.2820 -0.7782 1.3024 H 1 UNL1111111111 0.1466 72 H -6.6048 -2.5483 -1.6156 H 1 UNL1111111111 0.1627 73 H -7.0234 -3.5203 -0.1873 H 1 UNL1111111111 0.1477 74 H -8.2456 -3.1504 -1.4233 H 1 UNL1111111111 0.1587 @BOND 1 1 2 1 2 1 3 1 3 1 13 1 4 1 31 1 5 2 32 1 6 3 5 1 7 3 33 1 8 3 34 1 9 4 5 1 10 4 35 1 11 5 7 1 12 5 36 1 13 6 28 1 14 6 37 1 15 7 8 1 16 7 38 1 17 7 39 1 18 8 9 2 19 8 13 1 20 9 10 1 21 9 40 1 22 10 11 2 23 10 41 1 24 11 12 1 25 11 17 1 26 12 14 1 27 12 42 1 28 12 43 1 29 13 22 2 30 14 15 1 31 14 44 1 32 14 45 1 33 15 16 1 34 15 46 1 35 15 47 1 36 16 17 1 37 16 20 1 38 16 21 1 39 17 18 1 40 17 48 1 41 18 19 1 42 18 49 1 43 18 50 1 44 19 20 1 45 19 51 1 46 19 52 1 47 20 23 1 48 20 53 1 49 21 54 1 50 21 55 1 51 21 56 1 52 22 57 1 53 22 58 1 54 23 24 1 55 23 25 1 56 23 59 1 57 24 60 1 58 24 61 1 59 24 62 1 60 25 26 1 61 25 63 1 62 25 64 1 63 26 27 1 64 26 65 1 65 26 66 1 66 27 28 1 67 27 67 1 68 27 68 1 69 28 29 1 70 28 30 1 71 29 69 1 72 29 70 1 73 29 71 1 74 30 72 1 75 30 73 1 76 30 74 1