@MOLECULE (3s,5z,7e,22r)-9,10-secocholesta-5,7,10-triene-3,22-diol 73 75 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.0376 -0.3862 2.5108 O.3 1 UNL1111111111 -0.5764 2 O 7.0353 1.4024 -1.1719 O.3 1 UNL1111111111 -0.5608 3 C -0.9124 -1.3055 -0.0631 C.3 1 UNL1111111111 0.0943 4 C -2.2650 -0.5395 0.0517 C.3 1 UNL1111111111 -0.1468 5 C -0.1049 -0.3315 -0.9815 C.3 1 UNL1111111111 -0.1484 6 C -1.8405 0.9527 0.1494 C.3 1 UNL1111111111 -0.2824 7 C -0.4027 1.0591 -0.4027 C.3 1 UNL1111111111 -0.2728 8 C -1.0077 -2.6775 -0.7553 C.3 1 UNL1111111111 -0.3005 9 C -3.1779 -0.9596 1.2135 C.3 1 UNL1111111111 -0.1260 10 C 1.3123 -0.7822 -1.0814 C.2 1 UNL1111111111 0.0384 11 C -0.2439 -1.4588 1.3087 C.3 1 UNL1111111111 -0.4603 12 C 0.1187 -2.8978 -1.7830 C.3 1 UNL1111111111 -0.2621 13 C 1.4497 -2.2507 -1.3697 C.3 1 UNL1111111111 -0.2841 14 C -4.4312 -0.0505 1.2677 C.3 1 UNL1111111111 0.1470 15 C -3.5993 -2.4275 1.1140 C.3 1 UNL1111111111 -0.4438 16 C 2.3664 0.0283 -0.9115 C.2 1 UNL1111111111 -0.2515 17 C -5.4240 -0.2763 0.1201 C.3 1 UNL1111111111 -0.3398 18 C -6.3050 0.9492 -0.1409 C.3 1 UNL1111111111 -0.2879 19 C 3.7482 -0.4227 -0.9724 C.2 1 UNL1111111111 -0.1626 20 C -5.5321 2.1214 -0.7782 C.3 1 UNL1111111111 -0.0565 21 C 4.6699 -0.0883 -0.0550 C.2 1 UNL1111111111 -0.0297 22 C 6.0853 -0.5704 -0.1470 C.3 1 UNL1111111111 -0.3443 23 C -5.0823 1.7844 -2.2042 C.3 1 UNL1111111111 -0.4533 24 C -6.4224 3.3712 -0.7939 C.3 1 UNL1111111111 -0.4587 25 C 4.3891 0.7637 1.1083 C.2 1 UNL1111111111 0.0377 26 C 7.0761 0.5997 -0.0146 C.3 1 UNL1111111111 0.1746 27 C 5.3321 1.9196 1.2758 C.3 1 UNL1111111111 -0.2803 28 C 6.7902 1.4484 1.2334 C.3 1 UNL1111111111 -0.3260 29 C 3.3783 0.5314 1.9498 C.2 1 UNL1111111111 -0.3540 30 H -2.8209 -0.6882 -0.9035 H 1 UNL1111111111 0.1316 31 H -0.5436 -0.3700 -2.0143 H 1 UNL1111111111 0.1514 32 H -2.5322 1.5890 -0.4237 H 1 UNL1111111111 0.1332 33 H -1.8751 1.3060 1.1926 H 1 UNL1111111111 0.1406 34 H -0.3116 1.8458 -1.1655 H 1 UNL1111111111 0.1343 35 H 0.3075 1.3196 0.4004 H 1 UNL1111111111 0.1444 36 H -1.9846 -2.7872 -1.2606 H 1 UNL1111111111 0.1373 37 H -0.9770 -3.4845 0.0001 H 1 UNL1111111111 0.1414 38 H -2.6370 -0.8148 2.1840 H 1 UNL1111111111 0.1577 39 H -0.8093 -2.1335 1.9597 H 1 UNL1111111111 0.1454 40 H 0.7693 -1.8652 1.2166 H 1 UNL1111111111 0.1482 41 H -0.1600 -0.4950 1.8232 H 1 UNL1111111111 0.1512 42 H 0.2680 -3.9825 -1.9379 H 1 UNL1111111111 0.1320 43 H -0.1920 -2.4963 -2.7667 H 1 UNL1111111111 0.1347 44 H 2.2034 -2.4156 -2.1670 H 1 UNL1111111111 0.1475 45 H 1.8537 -2.7636 -0.4713 H 1 UNL1111111111 0.1557 46 H -4.1352 1.0200 1.3449 H 1 UNL1111111111 0.1160 47 H -2.7576 -3.1001 1.3081 H 1 UNL1111111111 0.1415 48 H -4.3733 -2.6517 1.8627 H 1 UNL1111111111 0.1618 49 H -4.0066 -2.6755 0.1301 H 1 UNL1111111111 0.1367 50 H 2.2355 1.0879 -0.6857 H 1 UNL1111111111 0.1627 51 H -6.0582 -1.1534 0.3593 H 1 UNL1111111111 0.1541 52 H -4.8838 -0.5557 -0.8042 H 1 UNL1111111111 0.1548 53 H -5.9207 0.0157 2.5834 H 1 UNL1111111111 0.3125 54 H -6.7720 1.2853 0.8036 H 1 UNL1111111111 0.1317 55 H -7.1466 0.6639 -0.8009 H 1 UNL1111111111 0.1399 56 H 4.0019 -1.0585 -1.8229 H 1 UNL1111111111 0.1520 57 H -4.6273 2.3393 -0.1599 H 1 UNL1111111111 0.1298 58 H 6.2749 -1.0974 -1.1039 H 1 UNL1111111111 0.1601 59 H 6.2757 -1.3163 0.6519 H 1 UNL1111111111 0.1601 60 H -5.9324 1.5201 -2.8415 H 1 UNL1111111111 0.1434 61 H -4.5744 2.6357 -2.6703 H 1 UNL1111111111 0.1425 62 H -4.3832 0.9408 -2.2172 H 1 UNL1111111111 0.1445 63 H -7.3325 3.2084 -1.3806 H 1 UNL1111111111 0.1438 64 H -5.8980 4.2256 -1.2351 H 1 UNL1111111111 0.1435 65 H -6.7267 3.6606 0.2172 H 1 UNL1111111111 0.1415 66 H 8.1307 0.2388 -0.0233 H 1 UNL1111111111 0.1348 67 H 5.1483 2.6635 0.4719 H 1 UNL1111111111 0.1504 68 H 5.1406 2.4610 2.2232 H 1 UNL1111111111 0.1466 69 H 7.4688 2.3233 1.2420 H 1 UNL1111111111 0.1534 70 H 7.0253 0.8629 2.1414 H 1 UNL1111111111 0.1475 71 H 3.1641 1.1355 2.8147 H 1 UNL1111111111 0.1466 72 H 2.6872 -0.2897 1.8285 H 1 UNL1111111111 0.1568 73 H 6.1232 1.7058 -1.3554 H 1 UNL1111111111 0.3215 @BOND 1 1 14 1 2 1 53 1 3 2 26 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 15 47 1 39 15 48 1 40 15 49 1 41 16 19 1 42 16 50 1 43 17 18 1 44 17 51 1 45 17 52 1 46 18 20 1 47 18 54 1 48 18 55 1 49 19 21 2 50 19 56 1 51 20 23 1 52 20 24 1 53 20 57 1 54 21 22 1 55 21 25 1 56 22 26 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 24 65 1 65 25 27 1 66 25 29 2 67 26 28 1 68 26 66 1 69 27 28 1 70 27 67 1 71 27 68 1 72 28 69 1 73 28 70 1 74 29 71 1 75 29 72 1