@MOLECULE (1s,3r,5e,7z)-9,10-secocholesta-5,7,10-triene-1,3-diol 73 75 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.9792 -0.9519 -0.5004 O.3 1 UNL1111111111 -0.5581 2 O -5.7122 3.3091 0.0679 O.3 1 UNL1111111111 -0.5493 3 C 1.0509 -1.6689 -0.2232 C.3 1 UNL1111111111 0.0837 4 C 2.1082 -0.5287 -0.3389 C.3 1 UNL1111111111 -0.1425 5 C 0.1531 -1.1199 0.9338 C.3 1 UNL1111111111 -0.1448 6 C 1.2863 0.7698 -0.1140 C.3 1 UNL1111111111 -0.2789 7 C -0.0298 0.3625 0.5798 C.3 1 UNL1111111111 -0.2790 8 C 1.6351 -3.0315 0.1931 C.3 1 UNL1111111111 -0.3016 9 C 2.9121 -0.4749 -1.6491 C.3 1 UNL1111111111 -0.0906 10 C -1.0412 -1.9864 1.1451 C.2 1 UNL1111111111 0.0487 11 C 0.2478 -1.8166 -1.5217 C.3 1 UNL1111111111 -0.4592 12 C 0.7906 -3.7251 1.2772 C.3 1 UNL1111111111 -0.2596 13 C -0.7130 -3.4585 1.1179 C.3 1 UNL1111111111 -0.2897 14 C 3.8290 0.7682 -1.6987 C.3 1 UNL1111111111 -0.2889 15 C 3.7490 -1.7448 -1.8477 C.3 1 UNL1111111111 -0.4524 16 C -2.2998 -1.5936 1.3762 C.2 1 UNL1111111111 -0.2692 17 C 4.8354 0.8325 -0.5437 C.3 1 UNL1111111111 -0.2619 18 C 5.7213 2.0779 -0.6697 C.3 1 UNL1111111111 -0.2889 19 C -2.7744 -0.2164 1.4292 C.2 1 UNL1111111111 -0.1338 20 C 6.7076 2.2494 0.5025 C.3 1 UNL1111111111 -0.0603 21 C -3.4269 0.3788 0.4186 C.2 1 UNL1111111111 -0.0475 22 C -3.6866 -0.2880 -0.8954 C.3 1 UNL1111111111 -0.3408 23 C -3.9170 1.7573 0.5302 C.2 1 UNL1111111111 -0.0491 24 C 7.6646 1.0566 0.6109 C.3 1 UNL1111111111 -0.4535 25 C 5.9687 2.4606 1.8295 C.3 1 UNL1111111111 -0.4523 26 C -5.1581 -0.1478 -1.3150 C.3 1 UNL1111111111 0.1808 27 C -5.3527 1.9461 0.1083 C.3 1 UNL1111111111 0.1562 28 C -5.6271 1.3109 -1.2626 C.3 1 UNL1111111111 -0.3922 29 C -3.1621 2.7606 0.9821 C.2 1 UNL1111111111 -0.3221 30 H 2.8263 -0.6469 0.5059 H 1 UNL1111111111 0.1354 31 H 0.7487 -1.1626 1.8880 H 1 UNL1111111111 0.1534 32 H 1.0729 1.2746 -1.0696 H 1 UNL1111111111 0.1365 33 H 1.8565 1.4864 0.4964 H 1 UNL1111111111 0.1358 34 H -0.2310 0.9724 1.4724 H 1 UNL1111111111 0.1352 35 H -0.8878 0.5074 -0.0987 H 1 UNL1111111111 0.1486 36 H 1.7156 -3.6937 -0.6885 H 1 UNL1111111111 0.1397 37 H 2.6699 -2.9093 0.5631 H 1 UNL1111111111 0.1396 38 H 2.1956 -0.3898 -2.5039 H 1 UNL1111111111 0.1337 39 H 0.8659 -2.2114 -2.3342 H 1 UNL1111111111 0.1421 40 H -0.1578 -0.8532 -1.8503 H 1 UNL1111111111 0.1490 41 H -0.5999 -2.4975 -1.3925 H 1 UNL1111111111 0.1470 42 H 0.9800 -4.8143 1.2520 H 1 UNL1111111111 0.1330 43 H 1.1189 -3.3885 2.2794 H 1 UNL1111111111 0.1365 44 H -1.2681 -3.9917 1.9155 H 1 UNL1111111111 0.1465 45 H -1.0703 -3.8967 0.1625 H 1 UNL1111111111 0.1536 46 H 4.3713 0.7745 -2.6634 H 1 UNL1111111111 0.1345 47 H 3.2093 1.6845 -1.7017 H 1 UNL1111111111 0.1350 48 H 3.1134 -2.6172 -2.0308 H 1 UNL1111111111 0.1425 49 H 4.4208 -1.6446 -2.7073 H 1 UNL1111111111 0.1428 50 H 4.3677 -1.9632 -0.9713 H 1 UNL1111111111 0.1435 51 H -3.0886 -2.3295 1.5531 H 1 UNL1111111111 0.1625 52 H 5.4614 -0.0784 -0.5351 H 1 UNL1111111111 0.1383 53 H 4.3022 0.8470 0.4252 H 1 UNL1111111111 0.1394 54 H 5.0851 2.9806 -0.7410 H 1 UNL1111111111 0.1345 55 H 6.2892 2.0334 -1.6182 H 1 UNL1111111111 0.1331 56 H -2.5832 0.3035 2.3714 H 1 UNL1111111111 0.1599 57 H 7.3164 3.1658 0.2943 H 1 UNL1111111111 0.1240 58 H -3.4213 -1.3669 -0.8579 H 1 UNL1111111111 0.1715 59 H -3.0255 0.1497 -1.6712 H 1 UNL1111111111 0.1598 60 H 7.1382 0.1426 0.9055 H 1 UNL1111111111 0.1452 61 H 8.4424 1.2412 1.3592 H 1 UNL1111111111 0.1404 62 H 8.1622 0.8579 -0.3440 H 1 UNL1111111111 0.1414 63 H 5.4130 1.5657 2.1295 H 1 UNL1111111111 0.1458 64 H 6.6692 2.6958 2.6381 H 1 UNL1111111111 0.1399 65 H 5.2527 3.2861 1.7590 H 1 UNL1111111111 0.1417 66 H -5.3353 -0.5888 -2.3241 H 1 UNL1111111111 0.1385 67 H -6.0475 1.5524 0.8913 H 1 UNL1111111111 0.1538 68 H -5.1339 1.8955 -2.0594 H 1 UNL1111111111 0.1522 69 H -6.7140 1.3610 -1.4761 H 1 UNL1111111111 0.1706 70 H -3.5180 3.7742 1.0932 H 1 UNL1111111111 0.1562 71 H -2.1329 2.6415 1.2843 H 1 UNL1111111111 0.1512 72 H -5.8048 -0.7906 0.4482 H 1 UNL1111111111 0.3203 73 H -5.1520 3.8050 -0.5614 H 1 UNL1111111111 0.3133 @BOND 1 1 26 1 2 1 72 1 3 2 27 1 4 2 73 1 5 3 4 1 6 3 5 1 7 3 8 1 8 3 11 1 9 4 6 1 10 4 9 1 11 4 30 1 12 5 7 1 13 5 10 1 14 5 31 1 15 6 7 1 16 6 32 1 17 6 33 1 18 7 34 1 19 7 35 1 20 8 12 1 21 8 36 1 22 8 37 1 23 9 14 1 24 9 15 1 25 9 38 1 26 10 13 1 27 10 16 2 28 11 39 1 29 11 40 1 30 11 41 1 31 12 13 1 32 12 42 1 33 12 43 1 34 13 44 1 35 13 45 1 36 14 17 1 37 14 46 1 38 14 47 1 39 15 48 1 40 15 49 1 41 15 50 1 42 16 19 1 43 16 51 1 44 17 18 1 45 17 52 1 46 17 53 1 47 18 20 1 48 18 54 1 49 18 55 1 50 19 21 2 51 19 56 1 52 20 24 1 53 20 25 1 54 20 57 1 55 21 22 1 56 21 23 1 57 22 26 1 58 22 58 1 59 22 59 1 60 23 27 1 61 23 29 2 62 24 60 1 63 24 61 1 64 24 62 1 65 25 63 1 66 25 64 1 67 25 65 1 68 26 28 1 69 26 66 1 70 27 28 1 71 27 67 1 72 28 68 1 73 28 69 1 74 29 70 1 75 29 71 1