@MOLECULE (1s,3r,5z,7e)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-23-one 73 75 0 0 0 SMALL GASTEIGER @ATOM 1 O 6.7009 -0.3639 0.3734 O.2 1 UNL1111111111 -0.4916 2 O 7.3333 1.9947 -0.7803 O.3 1 UNL1111111111 -0.5871 3 O -8.0180 0.9069 -1.6586 O.3 1 UNL1111111111 -0.5693 4 O -4.6799 2.8256 0.3331 O.3 1 UNL1111111111 -0.5501 5 C 0.9765 -1.6288 -0.0780 C.3 1 UNL1111111111 0.0866 6 C 2.1610 -1.3671 0.8992 C.3 1 UNL1111111111 -0.1472 7 C -0.2408 -1.4876 0.8942 C.3 1 UNL1111111111 -0.1591 8 C 1.6191 -0.2565 1.8485 C.3 1 UNL1111111111 -0.2769 9 C 0.0820 -0.2208 1.6947 C.3 1 UNL1111111111 -0.2770 10 C 0.9139 -3.0458 -0.6655 C.3 1 UNL1111111111 -0.3025 11 C 3.4915 -0.9547 0.2455 C.3 1 UNL1111111111 -0.0680 12 C -1.5198 -1.5894 0.1317 C.2 1 UNL1111111111 0.0414 13 C 0.9320 -0.5786 -1.1930 C.3 1 UNL1111111111 -0.4579 14 C -0.4148 -3.2582 -1.4109 C.3 1 UNL1111111111 -0.2541 15 C -1.6499 -2.9184 -0.5568 C.3 1 UNL1111111111 -0.2897 16 C 4.5612 -0.7069 1.3354 C.3 1 UNL1111111111 -0.4082 17 C 4.0139 -2.0293 -0.7136 C.3 1 UNL1111111111 -0.4610 18 C -2.4555 -0.6298 0.1222 C.2 1 UNL1111111111 -0.2466 19 C 5.6658 0.1352 0.7526 C.2 1 UNL1111111111 0.5086 20 C -3.7187 -0.7096 -0.5908 C.2 1 UNL1111111111 -0.1521 21 C 5.4324 1.6189 0.6649 C.3 1 UNL1111111111 -0.4762 22 C -4.8559 -0.1549 -0.1380 C.2 1 UNL1111111111 -0.0341 23 C 5.9438 2.2002 -0.6800 C.3 1 UNL1111111111 0.3880 24 C -6.1390 -0.2434 -0.9027 C.3 1 UNL1111111111 -0.3163 25 C -4.9609 0.5796 1.1267 C.2 1 UNL1111111111 -0.0494 26 C -6.7424 1.1585 -1.0914 C.3 1 UNL1111111111 0.1793 27 C -5.5698 1.9564 1.0013 C.3 1 UNL1111111111 0.1590 28 C -6.9044 1.8970 0.2433 C.3 1 UNL1111111111 -0.3987 29 C 5.7721 3.7214 -0.7076 C.3 1 UNL1111111111 -0.4818 30 C 5.2481 1.5337 -1.8723 C.3 1 UNL1111111111 -0.5151 31 C -4.5682 0.0837 2.3014 C.2 1 UNL1111111111 -0.2985 32 H 2.3354 -2.2946 1.4903 H 1 UNL1111111111 0.1363 33 H -0.2179 -2.3509 1.6135 H 1 UNL1111111111 0.1486 34 H 2.0482 0.7259 1.5969 H 1 UNL1111111111 0.1359 35 H 1.9022 -0.4698 2.8903 H 1 UNL1111111111 0.1321 36 H -0.2395 0.6886 1.1597 H 1 UNL1111111111 0.1447 37 H -0.4316 -0.2065 2.6670 H 1 UNL1111111111 0.1368 38 H 1.7569 -3.2221 -1.3572 H 1 UNL1111111111 0.1434 39 H 1.0218 -3.7977 0.1371 H 1 UNL1111111111 0.1375 40 H 3.3302 -0.0074 -0.3260 H 1 UNL1111111111 0.1412 41 H -0.0441 -0.5709 -1.6944 H 1 UNL1111111111 0.1550 42 H 1.6918 -0.7695 -1.9568 H 1 UNL1111111111 0.1432 43 H 1.0906 0.4319 -0.8010 H 1 UNL1111111111 0.1483 44 H -0.4827 -4.3081 -1.7524 H 1 UNL1111111111 0.1338 45 H -0.4247 -2.6405 -2.3298 H 1 UNL1111111111 0.1409 46 H -2.5554 -2.9596 -1.1940 H 1 UNL1111111111 0.1476 47 H -1.8012 -3.7051 0.2127 H 1 UNL1111111111 0.1506 48 H 4.1277 -0.2155 2.2247 H 1 UNL1111111111 0.1632 49 H 4.9631 -1.6758 1.6970 H 1 UNL1111111111 0.1776 50 H 3.4315 -2.0612 -1.6406 H 1 UNL1111111111 0.1466 51 H 3.9809 -3.0267 -0.2616 H 1 UNL1111111111 0.1488 52 H 5.0599 -1.8417 -0.9945 H 1 UNL1111111111 0.1614 53 H -2.3068 0.2942 0.6894 H 1 UNL1111111111 0.1654 54 H -3.6990 -1.2444 -1.5432 H 1 UNL1111111111 0.1532 55 H 5.9843 2.1125 1.4944 H 1 UNL1111111111 0.1878 56 H 4.3696 1.8815 0.8057 H 1 UNL1111111111 0.1694 57 H -6.8667 -0.8868 -0.3597 H 1 UNL1111111111 0.1746 58 H -6.0140 -0.7297 -1.8901 H 1 UNL1111111111 0.1612 59 H -6.1556 1.7586 -1.8209 H 1 UNL1111111111 0.1155 60 H -5.6906 2.4652 1.9867 H 1 UNL1111111111 0.1458 61 H -7.2759 2.9245 0.0739 H 1 UNL1111111111 0.1580 62 H -7.6681 1.3873 0.8616 H 1 UNL1111111111 0.1669 63 H 6.3152 4.1938 0.1197 H 1 UNL1111111111 0.1583 64 H 6.1994 4.1351 -1.6313 H 1 UNL1111111111 0.1647 65 H 4.7221 4.0163 -0.6534 H 1 UNL1111111111 0.1466 66 H 4.1770 1.7478 -1.8931 H 1 UNL1111111111 0.1498 67 H 5.3851 0.4462 -1.8647 H 1 UNL1111111111 0.1578 68 H 5.6836 1.8963 -2.8130 H 1 UNL1111111111 0.1667 69 H 7.5593 1.0620 -0.5557 H 1 UNL1111111111 0.3503 70 H -4.6495 0.6138 3.2370 H 1 UNL1111111111 0.1467 71 H -4.1319 -0.8998 2.4094 H 1 UNL1111111111 0.1576 72 H -8.5170 1.7349 -1.7804 H 1 UNL1111111111 0.3163 73 H -4.2973 2.3997 -0.4613 H 1 UNL1111111111 0.3196 @BOND 1 1 19 2 2 2 23 1 3 2 69 1 4 3 26 1 5 3 72 1 6 4 27 1 7 4 73 1 8 5 6 1 9 5 7 1 10 5 10 1 11 5 13 1 12 6 8 1 13 6 11 1 14 6 32 1 15 7 9 1 16 7 12 1 17 7 33 1 18 8 9 1 19 8 34 1 20 8 35 1 21 9 36 1 22 9 37 1 23 10 14 1 24 10 38 1 25 10 39 1 26 11 16 1 27 11 17 1 28 11 40 1 29 12 15 1 30 12 18 2 31 13 41 1 32 13 42 1 33 13 43 1 34 14 15 1 35 14 44 1 36 14 45 1 37 15 46 1 38 15 47 1 39 16 19 1 40 16 48 1 41 16 49 1 42 17 50 1 43 17 51 1 44 17 52 1 45 18 20 1 46 18 53 1 47 19 21 1 48 20 22 2 49 20 54 1 50 21 23 1 51 21 55 1 52 21 56 1 53 22 24 1 54 22 25 1 55 23 29 1 56 23 30 1 57 24 26 1 58 24 57 1 59 24 58 1 60 25 27 1 61 25 31 2 62 26 28 1 63 26 59 1 64 27 28 1 65 27 60 1 66 28 61 1 67 28 62 1 68 29 63 1 69 29 64 1 70 29 65 1 71 30 66 1 72 30 67 1 73 30 68 1 74 31 70 1 75 31 71 1