@MOLECULE (1r,3s,5z,7e,24r)-24-fluoro-9,10-secocholesta-5,7,10-triene-1,3,25-triol 74 76 0 0 0 SMALL USER_CHARGES @ATOM 1 F 5.9773 -1.9265 0.9608 F 1 UNL111111111 -0.2305 2 O 8.0895 -1.9798 -0.6872 O.3 1 UNL111111111 -0.5723 3 O -8.6442 0.0764 -1.0442 O.3 1 UNL111111111 -0.5791 4 O -5.4778 -2.6690 -0.6165 O.3 1 UNL111111111 -0.5408 5 C 0.7766 1.4551 0.3131 C.3 1 UNL111111111 0.0834 6 C 2.1057 0.6687 0.5038 C.3 1 UNL111111111 -0.1491 7 C -0.1033 0.3388 -0.3456 C.3 1 UNL111111111 -0.1526 8 C 1.6237 -0.7307 0.9886 C.3 1 UNL111111111 -0.2765 9 C 0.1408 -0.8731 0.5637 C.3 1 UNL111111111 -0.2735 10 C 0.8650 2.6301 -0.6691 C.3 1 UNL111111111 -0.3039 11 C 3.1582 1.2857 1.4393 C.3 1 UNL111111111 -0.0901 12 C -1.4851 0.8353 -0.6137 C.2 1 UNL111111111 0.0364 13 C 0.1948 1.9196 1.6510 C.3 1 UNL111111111 -0.4574 14 C -0.5411 3.1447 -1.0130 C.3 1 UNL111111111 -0.2536 15 C -1.4670 2.0307 -1.5275 C.3 1 UNL111111111 -0.2891 16 C 4.4006 0.3705 1.5488 C.3 1 UNL111111111 -0.2754 17 C 3.6003 2.6821 0.9827 C.3 1 UNL111111111 -0.4526 18 C -2.6007 0.2447 -0.1560 C.2 1 UNL111111111 -0.2305 19 C 5.0719 0.1081 0.1944 C.3 1 UNL111111111 -0.3137 20 C 6.3218 -0.7639 0.3491 C.3 1 UNL111111111 0.0366 21 C -3.9437 0.7110 -0.4415 C.2 1 UNL111111111 -0.1520 22 C 6.9891 -1.1473 -1.0105 C.3 1 UNL111111111 0.3075 23 C -5.0766 0.1689 0.0398 C.2 1 UNL111111111 -0.0074 24 C -6.4176 0.7284 -0.3412 C.3 1 UNL111111111 -0.3483 25 C 7.6425 0.0740 -1.6599 C.3 1 UNL111111111 -0.4782 26 C 6.0479 -1.8755 -1.9675 C.3 1 UNL111111111 -0.5080 27 C -5.1398 -0.9823 0.9437 C.2 1 UNL111111111 0.0129 28 C -7.3223 -0.4025 -0.8606 C.3 1 UNL111111111 0.1892 29 C -6.0878 -2.0858 0.5258 C.3 1 UNL111111111 0.1430 30 C -7.4706 -1.5229 0.1751 C.3 1 UNL111111111 -0.3678 31 C -4.4512 -1.0690 2.0844 C.2 1 UNL111111111 -0.3293 32 H 2.5674 0.5547 -0.5048 H 1 UNL111111111 0.1324 33 H 0.3405 0.0898 -1.3488 H 1 UNL111111111 0.1473 34 H 2.2431 -1.5260 0.5491 H 1 UNL111111111 0.1365 35 H 1.7254 -0.8272 2.0833 H 1 UNL111111111 0.1370 36 H -0.0465 -1.8253 0.0426 H 1 UNL111111111 0.1393 37 H -0.5246 -0.8652 1.4405 H 1 UNL111111111 0.1419 38 H 1.4612 3.4556 -0.2392 H 1 UNL111111111 0.1397 39 H 1.3932 2.3214 -1.5890 H 1 UNL111111111 0.1353 40 H 2.7131 1.3770 2.4609 H 1 UNL111111111 0.1354 41 H 0.7315 2.7900 2.0401 H 1 UNL111111111 0.1391 42 H 0.2464 1.1304 2.4122 H 1 UNL111111111 0.1496 43 H -0.8603 2.2018 1.5506 H 1 UNL111111111 0.1542 44 H -0.9922 3.6164 -0.1200 H 1 UNL111111111 0.1413 45 H -0.4672 3.9424 -1.7756 H 1 UNL111111111 0.1296 46 H -1.1318 1.7018 -2.5342 H 1 UNL111111111 0.1486 47 H -2.4816 2.4484 -1.6827 H 1 UNL111111111 0.1438 48 H 5.1280 0.8277 2.2464 H 1 UNL111111111 0.1369 49 H 4.0993 -0.5831 2.0218 H 1 UNL111111111 0.1480 50 H 2.8475 3.4385 1.2272 H 1 UNL111111111 0.1415 51 H 4.5313 2.9871 1.4791 H 1 UNL111111111 0.1442 52 H 3.7759 2.7196 -0.0982 H 1 UNL111111111 0.1426 53 H -2.5280 -0.6594 0.4563 H 1 UNL111111111 0.1664 54 H 5.3567 1.0700 -0.2758 H 1 UNL111111111 0.1501 55 H 4.3491 -0.3684 -0.4968 H 1 UNL111111111 0.1544 56 H 7.0894 -0.2541 0.9960 H 1 UNL111111111 0.1442 57 H -4.0108 1.5702 -1.1174 H 1 UNL111111111 0.1453 58 H -6.3327 1.5228 -1.1059 H 1 UNL111111111 0.1458 59 H -6.8871 1.2141 0.5398 H 1 UNL111111111 0.1664 60 H 6.9048 0.8125 -1.9822 H 1 UNL111111111 0.1494 61 H 8.3471 0.5583 -0.9706 H 1 UNL111111111 0.1615 62 H 8.2340 -0.2280 -2.5365 H 1 UNL111111111 0.1665 63 H 5.2916 -1.2055 -2.3884 H 1 UNL111111111 0.1581 64 H 5.5184 -2.7055 -1.4840 H 1 UNL111111111 0.1609 65 H 6.6101 -2.3010 -2.8076 H 1 UNL111111111 0.1621 66 H -6.9544 -0.7959 -1.8349 H 1 UNL111111111 0.1284 67 H -6.1760 -2.8793 1.3036 H 1 UNL111111111 0.1187 68 H -7.9731 -1.1331 1.0805 H 1 UNL111111111 0.1684 69 H -8.1384 -2.3099 -0.2180 H 1 UNL111111111 0.1574 70 H 7.8114 -2.8900 -0.4772 H 1 UNL111111111 0.3256 71 H -4.4969 -1.9140 2.7554 H 1 UNL111111111 0.1467 72 H -3.7840 -0.2914 2.4340 H 1 UNL111111111 0.1579 73 H -8.6649 0.8477 -1.6348 H 1 UNL111111111 0.3162 74 H -6.0247 -3.3998 -0.9625 H 1 UNL111111111 0.3081 @BOND 1 65 26 1 2 62 25 1 3 46 15 1 4 63 26 1 5 60 25 1 6 26 64 1 7 26 22 1 8 66 28 1 9 45 14 1 10 47 15 1 11 25 22 1 12 25 61 1 13 73 3 1 14 39 10 1 15 15 14 1 16 15 12 1 17 33 7 1 18 57 21 1 19 58 24 1 20 3 28 1 21 14 10 1 22 14 44 1 23 22 2 1 24 22 20 1 25 74 4 1 26 28 24 1 27 28 30 1 28 2 70 1 29 10 38 1 30 10 5 1 31 4 29 1 32 12 7 1 33 12 18 2 34 32 6 1 35 55 19 1 36 21 18 1 37 21 23 2 38 7 5 1 39 7 9 1 40 24 23 1 41 24 59 1 42 54 19 1 43 69 30 1 44 18 53 1 45 52 17 1 46 23 27 1 47 36 9 1 48 30 29 1 49 30 68 1 50 19 20 1 51 19 16 1 52 5 6 1 53 5 13 1 54 20 1 1 55 20 56 1 56 6 8 1 57 6 11 1 58 29 27 1 59 29 67 1 60 34 8 1 61 9 8 1 62 9 37 1 63 27 31 2 64 17 50 1 65 17 11 1 66 17 51 1 67 8 35 1 68 11 16 1 69 11 40 1 70 16 49 1 71 16 48 1 72 43 13 1 73 13 41 1 74 13 42 1 75 31 72 1 76 31 71 1