@MOLECULE (1r,3s,5z,7e)-25-fluoro-9,10-secocholesta-5,7,10-triene-1,3-diol 73 75 0 0 0 SMALL USER_CHARGES @ATOM 1 F -8.4318 1.7137 -0.3893 F 1 UNL111111111 -0.2544 2 O 8.4428 -0.0353 -0.4234 O.3 1 UNL111111111 -0.5668 3 O 5.1572 2.7525 -0.3855 O.3 1 UNL111111111 -0.5472 4 C -0.8290 -1.1588 0.2730 C.3 1 UNL111111111 0.0837 5 C -2.1763 -0.3803 0.3297 C.3 1 UNL111111111 -0.1454 6 C -0.1158 -0.4166 -0.9072 C.3 1 UNL111111111 -0.1561 7 C -1.7637 1.0933 0.0436 C.3 1 UNL111111111 -0.2754 8 C -0.3600 1.0666 -0.6020 C.3 1 UNL111111111 -0.2768 9 C -0.9446 -2.6348 -0.1359 C.3 1 UNL111111111 -0.3020 10 C -2.9825 -0.5001 1.6340 C.3 1 UNL111111111 -0.0912 11 C 1.2741 -0.9380 -1.0533 C.2 1 UNL111111111 0.0442 12 C -0.0496 -1.0243 1.5855 C.3 1 UNL111111111 -0.4588 13 C 0.4487 -3.2306 -0.4006 C.3 1 UNL111111111 -0.2518 14 C 1.2796 -2.4014 -1.3979 C.3 1 UNL111111111 -0.2917 15 C -4.2144 0.4330 1.6256 C.3 1 UNL111111111 -0.2849 16 C -3.4291 -1.9451 1.8896 C.3 1 UNL111111111 -0.4529 17 C 2.3729 -0.1883 -0.8902 C.2 1 UNL111111111 -0.2476 18 C -5.1698 0.1732 0.4544 C.3 1 UNL111111111 -0.2579 19 C -6.4068 1.0691 0.5688 C.3 1 UNL111111111 -0.3348 20 C 3.7357 -0.6800 -0.9987 C.2 1 UNL111111111 -0.1519 21 C -7.3378 0.9444 -0.6578 C.3 1 UNL111111111 0.3037 22 C 4.7367 -0.2413 -0.2175 C.2 1 UNL111111111 -0.0334 23 C 6.1372 -0.7523 -0.3543 C.3 1 UNL111111111 -0.3501 24 C 4.5737 0.7722 0.8293 C.2 1 UNL111111111 -0.0451 25 C -6.6939 1.5043 -1.9330 C.3 1 UNL111111111 -0.4956 26 C -7.8355 -0.4907 -0.8710 C.3 1 UNL111111111 -0.4968 27 C 7.1081 0.4281 -0.5492 C.3 1 UNL111111111 0.1789 28 C 5.5200 1.9449 0.7148 C.3 1 UNL111111111 0.1543 29 C 6.9713 1.4722 0.5637 C.3 1 UNL111111111 -0.3633 30 C 3.6769 0.6781 1.8125 C.2 1 UNL111111111 -0.3013 31 H -2.8129 -0.7456 -0.5081 H 1 UNL111111111 0.1333 32 H -0.6657 -0.6554 -1.8573 H 1 UNL111111111 0.1479 33 H -1.7444 1.6858 0.9718 H 1 UNL111111111 0.1377 34 H -2.4980 1.5752 -0.6191 H 1 UNL111111111 0.1339 35 H -0.3091 1.6871 -1.5083 H 1 UNL111111111 0.1377 36 H 0.3976 1.4672 0.0929 H 1 UNL111111111 0.1442 37 H -1.4528 -3.2194 0.6513 H 1 UNL111111111 0.1406 38 H -1.5758 -2.7324 -1.0375 H 1 UNL111111111 0.1364 39 H -2.3327 -0.1794 2.4862 H 1 UNL111111111 0.1354 40 H -0.4841 -1.6462 2.3738 H 1 UNL111111111 0.1424 41 H -0.0398 0.0124 1.9403 H 1 UNL111111111 0.1497 42 H 0.9970 -1.3289 1.4619 H 1 UNL111111111 0.1527 43 H 1.0024 -3.3139 0.5547 H 1 UNL111111111 0.1414 44 H 0.3435 -4.2637 -0.7802 H 1 UNL111111111 0.1317 45 H 0.8726 -2.5313 -2.4224 H 1 UNL111111111 0.1483 46 H 2.3090 -2.8075 -1.4327 H 1 UNL111111111 0.1452 47 H -4.7581 0.3144 2.5827 H 1 UNL111111111 0.1374 48 H -3.8804 1.4876 1.6051 H 1 UNL111111111 0.1368 49 H -2.5821 -2.5780 2.1762 H 1 UNL111111111 0.1422 50 H -4.1603 -1.9965 2.7039 H 1 UNL111111111 0.1445 51 H -3.8919 -2.3897 1.0028 H 1 UNL111111111 0.1433 52 H 2.2867 0.8730 -0.6369 H 1 UNL111111111 0.1681 53 H -4.6500 0.3597 -0.5043 H 1 UNL111111111 0.1391 54 H -5.4684 -0.8918 0.4417 H 1 UNL111111111 0.1402 55 H -6.9665 0.8159 1.4911 H 1 UNL111111111 0.1526 56 H -6.0966 2.1256 0.6916 H 1 UNL111111111 0.1528 57 H 3.9133 -1.4340 -1.7673 H 1 UNL111111111 0.1502 58 H 6.2376 -1.4747 -1.1844 H 1 UNL111111111 0.1462 59 H 6.4238 -1.3134 0.5622 H 1 UNL111111111 0.1730 60 H -5.8358 0.8982 -2.2411 H 1 UNL111111111 0.1558 61 H -7.4029 1.5187 -2.7703 H 1 UNL111111111 0.1589 62 H -6.3397 2.5327 -1.7911 H 1 UNL111111111 0.1591 63 H -8.6103 -0.5391 -1.6465 H 1 UNL111111111 0.1598 64 H -7.0188 -1.1491 -1.1846 H 1 UNL111111111 0.1555 65 H -8.2675 -0.9065 0.0454 H 1 UNL111111111 0.1583 66 H 6.9923 0.8845 -1.5565 H 1 UNL111111111 0.1144 67 H 5.4203 2.6610 1.5649 H 1 UNL111111111 0.1470 68 H 7.3424 1.0494 1.5178 H 1 UNL111111111 0.1688 69 H 7.6291 2.3373 0.3452 H 1 UNL111111111 0.1708 70 H 3.5564 1.4153 2.5904 H 1 UNL111111111 0.1490 71 H 2.9905 -0.1519 1.9062 H 1 UNL111111111 0.1551 72 H 8.6462 -0.7088 -1.0965 H 1 UNL111111111 0.3137 73 H 5.0137 2.2122 -1.1891 H 1 UNL111111111 0.3174 @BOND 1 61 25 1 2 45 14 1 3 60 25 1 4 25 62 1 5 25 21 1 6 32 6 1 7 57 20 1 8 63 26 1 9 66 27 1 10 35 8 1 11 46 14 1 12 14 11 1 13 14 13 1 14 73 3 1 15 64 26 1 16 58 23 1 17 72 2 1 18 11 6 1 19 11 17 2 20 38 9 1 21 20 17 1 22 20 22 2 23 6 8 1 24 6 4 1 25 17 52 1 26 26 21 1 27 26 65 1 28 44 13 1 29 21 1 1 30 21 19 1 31 34 7 1 32 8 7 1 33 8 36 1 34 27 2 1 35 27 23 1 36 27 29 1 37 31 5 1 38 53 18 1 39 13 9 1 40 13 43 1 41 3 28 1 42 23 22 1 43 23 59 1 44 22 24 1 45 9 4 1 46 9 37 1 47 7 5 1 48 7 33 1 49 4 5 1 50 4 12 1 51 5 10 1 52 69 29 1 53 54 18 1 54 18 19 1 55 18 15 1 56 29 28 1 57 29 68 1 58 19 56 1 59 19 55 1 60 28 24 1 61 28 67 1 62 24 30 2 63 51 16 1 64 42 12 1 65 12 41 1 66 12 40 1 67 48 15 1 68 15 10 1 69 15 47 1 70 10 16 1 71 10 39 1 72 30 71 1 73 30 70 1 74 16 49 1 75 16 50 1