@MOLECULE (3r,5z,7e,17xi)-24,24-difluoro-9,10-secocholesta-5,7,10-triene-3,25-diol 73 75 0 0 0 SMALL GASTEIGER @ATOM 1 F 5.5041 -1.9574 0.7514 F 1 UNL1111 -0.2389 2 F 6.4683 -0.2555 1.4535 F 1 UNL1111 -0.2121 3 O 7.8709 -1.2224 -0.5312 O.3 1 UNL1111 -0.5412 4 O -7.3120 0.6478 1.5648 O.3 1 UNL1111 -0.5607 5 C 0.0476 1.2551 0.1231 C.3 1 UNL1111 0.0817 6 C 1.4144 0.5181 0.2379 C.3 1 UNL1111 -0.1462 7 C -0.6942 0.3293 -0.8986 C.3 1 UNL1111 -0.1573 8 C 1.0266 -0.9892 0.1950 C.3 1 UNL1111 -0.2762 9 C -0.4027 -1.0853 -0.3841 C.3 1 UNL1111 -0.2780 10 C 0.1126 2.6534 -0.5097 C.3 1 UNL1111 -0.3046 11 C 2.2675 0.8478 1.4747 C.3 1 UNL1111 -0.0897 12 C -2.1022 0.7979 -1.0661 C.2 1 UNL1111 0.0476 13 C -0.6756 1.3076 1.4718 C.3 1 UNL1111 -0.4575 14 C -1.3029 3.1735 -0.8146 C.3 1 UNL1111 -0.2517 15 C -2.1444 2.1846 -1.6435 C.3 1 UNL1111 -0.2890 16 C 3.5314 -0.0417 1.5398 C.3 1 UNL1111 -0.2705 17 C 2.6705 2.3271 1.5082 C.3 1 UNL1111 -0.4534 18 C -3.1731 0.0540 -0.7503 C.2 1 UNL1111 -0.2439 19 C 4.4231 0.1085 0.3044 C.3 1 UNL1111 -0.3397 20 C 5.7340 -0.6755 0.4121 C.3 1 UNL1111 0.3446 21 C -4.5533 0.4786 -0.8784 C.2 1 UNL1111 -0.1628 22 C 6.6334 -0.6501 -0.8781 C.3 1 UNL1111 0.2848 23 C -5.6074 -0.3343 -0.6903 C.2 1 UNL1111 -0.0285 24 C -7.0164 0.1678 -0.7855 C.3 1 UNL1111 -0.3449 25 C 5.9818 -1.4228 -2.0216 C.3 1 UNL1111 -0.5091 26 C 6.9814 0.7815 -1.2777 C.3 1 UNL1111 -0.4731 27 C -5.5146 -1.7586 -0.3439 C.2 1 UNL1111 0.0401 28 C -7.7878 -0.1533 0.5083 C.3 1 UNL1111 0.1755 29 C -6.2303 -2.1217 0.9249 C.3 1 UNL1111 -0.2800 30 C -7.6861 -1.6409 0.8804 C.3 1 UNL1111 -0.3264 31 C -4.8696 -2.6536 -1.0958 C.2 1 UNL1111 -0.3596 32 H 2.0064 0.7644 -0.6725 H 1 UNL1111 0.1296 33 H -0.1883 0.4303 -1.8960 H 1 UNL1111 0.1451 34 H 1.7438 -1.5546 -0.4182 H 1 UNL1111 0.1332 35 H 1.0585 -1.4348 1.2021 H 1 UNL1111 0.1398 36 H -0.4767 -1.8365 -1.1836 H 1 UNL1111 0.1364 37 H -1.1215 -1.3885 0.3958 H 1 UNL1111 0.1448 38 H 0.7131 2.6255 -1.4362 H 1 UNL1111 0.1343 39 H 0.6286 3.3619 0.1622 H 1 UNL1111 0.1406 40 H 1.6649 0.6295 2.3921 H 1 UNL1111 0.1394 41 H -0.6399 0.3395 1.9840 H 1 UNL1111 0.1499 42 H -1.7364 1.5597 1.3475 H 1 UNL1111 0.1573 43 H -0.2334 2.0563 2.1356 H 1 UNL1111 0.1412 44 H -1.2345 4.1378 -1.3512 H 1 UNL1111 0.1310 45 H -1.8282 3.3918 0.1355 H 1 UNL1111 0.1434 46 H -3.1811 2.5665 -1.7213 H 1 UNL1111 0.1463 47 H -1.7661 2.1524 -2.6866 H 1 UNL1111 0.1475 48 H 4.0975 0.2135 2.4576 H 1 UNL1111 0.1511 49 H 3.2290 -1.0989 1.6691 H 1 UNL1111 0.1476 50 H 3.0528 2.6696 0.5418 H 1 UNL1111 0.1407 51 H 1.8185 2.9642 1.7711 H 1 UNL1111 0.1432 52 H 3.4503 2.5095 2.2570 H 1 UNL1111 0.1485 53 H -3.0336 -0.9571 -0.3547 H 1 UNL1111 0.1639 54 H 4.6531 1.1826 0.1418 H 1 UNL1111 0.1675 55 H 3.8703 -0.2246 -0.5980 H 1 UNL1111 0.1610 56 H -4.7138 1.5314 -1.1240 H 1 UNL1111 0.1500 57 H -7.5239 -0.2990 -1.6539 H 1 UNL1111 0.1598 58 H -7.0513 1.2607 -0.9665 H 1 UNL1111 0.1602 59 H 6.6492 -1.4400 -2.8950 H 1 UNL1111 0.1681 60 H 5.0379 -0.9693 -2.3417 H 1 UNL1111 0.1592 61 H 5.7767 -2.4685 -1.7642 H 1 UNL1111 0.1627 62 H 6.1084 1.3410 -1.6224 H 1 UNL1111 0.1507 63 H 7.4464 1.3303 -0.4464 H 1 UNL1111 0.1727 64 H 7.7260 0.7781 -2.0873 H 1 UNL1111 0.1696 65 H -8.8515 0.1709 0.4348 H 1 UNL1111 0.1350 66 H 7.8035 -2.1863 -0.3771 H 1 UNL1111 0.3242 67 H -6.2009 -3.2138 1.1071 H 1 UNL1111 0.1464 68 H -5.7034 -1.6665 1.7901 H 1 UNL1111 0.1523 69 H -8.2607 -2.2438 0.1533 H 1 UNL1111 0.1475 70 H -8.1644 -1.8015 1.8661 H 1 UNL1111 0.1542 71 H -4.8102 -3.7030 -0.8628 H 1 UNL1111 0.1467 72 H -4.3557 -2.3966 -2.0096 H 1 UNL1111 0.1558 73 H -6.3453 0.5420 1.6764 H 1 UNL1111 0.3223 @BOND 1 1 20 1 2 2 20 1 3 3 22 1 4 3 66 1 5 4 28 1 6 4 73 1 7 5 6 1 8 5 7 1 9 5 10 1 10 5 13 1 11 6 8 1 12 6 11 1 13 6 32 1 14 7 9 1 15 7 12 1 16 7 33 1 17 8 9 1 18 8 34 1 19 8 35 1 20 9 36 1 21 9 37 1 22 10 14 1 23 10 38 1 24 10 39 1 25 11 16 1 26 11 17 1 27 11 40 1 28 12 15 1 29 12 18 2 30 13 41 1 31 13 42 1 32 13 43 1 33 14 15 1 34 14 44 1 35 14 45 1 36 15 46 1 37 15 47 1 38 16 19 1 39 16 48 1 40 16 49 1 41 17 50 1 42 17 51 1 43 17 52 1 44 18 21 1 45 18 53 1 46 19 20 1 47 19 54 1 48 19 55 1 49 20 22 1 50 21 23 2 51 21 56 1 52 22 25 1 53 22 26 1 54 23 24 1 55 23 27 1 56 24 28 1 57 24 57 1 58 24 58 1 59 25 59 1 60 25 60 1 61 25 61 1 62 26 62 1 63 26 63 1 64 26 64 1 65 27 29 1 66 27 31 2 67 28 30 1 68 28 65 1 69 29 30 1 70 29 67 1 71 29 68 1 72 30 69 1 73 30 70 1 74 31 71 1 75 31 72 1