@MOLECULE (3r,5z,7e,14xi,17xi)-26,26,26,27,27-pentafluoro-27-methoxy-9,10-secocholesta-5,7,10-triene-1,3-diol 38 38 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 F 7.9227 1.8406 0.6905 F 1 UNL1 -0.1198 2 F 7.4772 -0.0502 1.5222 F 1 UNL1 -0.1252 3 F 6.4048 2.7237 -1.2583 F 1 UNL1 -0.1929 4 F 4.7420 3.0532 0.0027 F 1 UNL1 -0.1798 5 F 4.5627 1.7837 -1.6797 F 1 UNL1 -0.1765 6 O 8.8656 -0.0851 -0.6199 O.2 1 UNL1 -0.4679 7 O -10.3648 0.3375 -1.9824 O.2 1 UNL1 -0.2693 8 O -9.0202 2.6073 1.9298 O.2 1 UNL1 -0.3873 9 C 0.5168 -2.5432 -1.0777 C.2 1 UNL1 -0.5057 10 C 0.7601 -2.4556 0.3799 C.2 1 UNL1 0.1071 11 C -2.6265 -1.2489 1.1689 C.2 1 UNL1 -0.0011 12 C -0.2301 -2.0507 1.1542 C.2 1 UNL1 -0.0436 13 C -1.4499 -1.6270 1.3725 C.1 1 UNL1 -0.0829 14 C -0.7789 -2.2171 -1.4721 C.1 1 UNL1 0.0621 15 C 2.0974 -2.7875 0.8903 C.2 1 UNL1 -0.5012 16 C -3.6333 -1.0285 0.1956 C.2 1 UNL1 -0.0229 17 C 1.4917 -2.8585 -1.9415 C.3 1 UNL1 0.5729 18 C -1.9612 -1.8555 -1.4658 C.1 1 UNL1 -0.1327 19 C -3.1319 -1.3997 -1.0022 C.2 1 UNL1 0.0748 20 C 3.1036 -1.8675 0.6853 C.1 1 UNL1 0.0063 21 C 2.2630 -3.9124 1.6024 C.2 1 UNL1 0.5258 22 C -4.9116 -0.4545 0.4889 C.2 1 UNL1 -0.0972 23 C 3.9814 -0.9768 0.5108 C.1 1 UNL1 -0.0409 24 C 4.8665 -0.0692 0.3459 C.3 1 UNL1 -0.0308 25 C -5.8556 -0.2772 -0.4676 C.2 1 UNL1 -0.1581 26 C 5.7824 0.9296 0.1784 C.2 1 UNL1 -0.1807 27 C -7.1269 0.3689 -0.2503 C.2 1 UNL1 0.0771 28 C -8.1576 0.1731 -1.0747 C.2 1 UNL1 -0.1328 29 C 7.0126 0.9100 0.7674 C.2 1 UNL1 0.3858 30 C 5.3783 2.1036 -0.6793 C.3 1 UNL1 0.5715 31 C -7.3691 1.2948 0.8603 C.2 1 UNL1 -0.6689 32 C -9.5164 0.6131 -1.1614 C.2 1 UNL1 0.3516 33 C -8.7351 1.8675 1.0084 C.2 1 UNL1 0.4349 34 C -9.6332 1.4685 -0.0214 C.3 1 UNL1 -0.0538 35 C -6.4146 1.6697 1.7172 C.2 1 UNL1 0.5836 36 C 9.9850 -0.3003 -0.6775 C.2 1 UNL1 0.4709 37 H -5.0682 -0.1774 1.5355 H 1 UNL1 0.1605 38 H -5.6828 -0.6428 -1.4895 H 1 UNL1 0.1870 @BOND 1 7 32 2 2 17 9 1 3 5 30 1 4 38 25 1 5 14 18 3 6 14 9 1 7 18 19 1 8 3 30 1 9 32 28 1 10 32 34 1 11 9 10 2 12 28 27 2 13 19 16 2 14 30 4 1 15 30 26 1 16 36 6 2 17 25 27 1 18 25 22 2 19 27 31 1 20 34 33 1 21 26 24 1 22 26 29 2 23 16 22 1 24 16 11 1 25 24 23 1 26 10 15 1 27 10 12 1 28 22 37 1 29 23 20 3 30 20 15 1 31 1 29 1 32 29 2 1 33 31 33 1 34 31 35 2 35 15 21 2 36 33 8 2 37 12 13 2 38 11 13 2