@MOLECULE (6alpha,11beta,16alpha,17alpha)-6,9-difluoro-11-hydroxy-16-methyl-17-[(methylsulfanyl)carbonyl]-3-oxoandrosta-1,4-dien-17-yl propionate 65 68 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -2.4648 0.4594 0.2385 C.3 1 UNL1 0.1506 2 C -1.0277 -0.0917 0.5596 C.3 1 UNL1 0.0675 3 C -2.3637 2.0151 0.3630 C.3 1 UNL1 -0.1009 4 C -0.1348 1.1036 0.1271 C.3 1 UNL1 -0.1347 5 C 1.3045 0.8787 0.5776 C.3 1 UNL1 -0.1574 6 C 0.8985 -1.6276 -0.0580 C.3 1 UNL1 0.1261 7 C 1.8652 -0.3935 -0.1128 C.3 1 UNL1 0.1938 8 C 3.3220 -0.6962 0.3933 C.3 1 UNL1 -0.0049 9 C 3.6186 1.8092 0.7413 C.3 1 UNL1 0.0817 10 C -3.8736 -0.0756 -3.1123 C.3 1 UNL1 -0.3168 11 C -0.9617 -0.3869 2.0609 C.3 1 UNL1 -0.4867 12 C -3.2969 2.6536 1.3767 C.3 1 UNL1 -0.4552 13 C -5.4447 -2.1893 1.6891 C.3 1 UNL1 -0.4682 14 C -5.1944 0.2668 -3.7897 C.3 1 UNL1 -0.4222 15 C 3.3876 -1.0115 1.8990 C.3 1 UNL1 -0.4372 16 H 0.2983 -2.5039 1.6280 H 1 UNL1 0.3324 17 O -3.8373 0.1389 2.1993 O.2 1 UNL1 -0.4117 18 O -4.6712 1.1690 -1.1670 O.2 1 UNL1 -0.4854 19 O 7.0289 -0.8426 -1.4468 O.2 1 UNL1 -0.4393 20 C -0.5873 -1.2999 -0.2650 C.3 1 UNL1 -0.3536 21 C -0.8778 2.3234 0.6811 C.3 1 UNL1 -0.2927 22 C 2.1855 2.0881 0.2594 C.3 1 UNL1 -0.3213 23 O 1.1330 -2.2673 1.1770 O.3 1 UNL1 -0.5800 24 C -3.5156 -0.2211 1.1049 C.2 1 UNL1 0.3889 25 C -3.8552 0.4907 -1.7262 C.2 1 UNL1 0.6195 26 O -2.6842 0.1128 -1.1205 O.3 1 UNL1 -0.4725 27 C 5.9043 -0.7803 -1.0048 C.2 1 UNL1 0.4705 28 C 3.8469 -1.9183 -0.3124 C.2 1 UNL1 -0.0752 29 C 5.3461 0.4858 -0.4878 C.2 1 UNL1 -0.2877 30 C 5.0265 -1.9637 -0.9369 C.2 1 UNL1 -0.2924 31 F 1.9950 -0.1262 -1.4376 F 1 UNL1 -0.2245 32 F 4.3895 2.8681 0.3855 F 1 UNL1 -0.2078 33 C 4.1698 0.5358 0.1461 C.2 1 UNL1 0.0078 34 S -4.2202 -1.7564 0.4171 S.3 1 UNL1 -0.0862 35 H -0.1567 1.1779 -0.9923 H 1 UNL1 0.1632 36 H 1.3212 0.7075 1.6843 H 1 UNL1 0.1606 37 H -2.6029 2.4414 -0.6448 H 1 UNL1 0.1566 38 H -1.2004 -2.1915 -0.0315 H 1 UNL1 0.1632 39 H -0.7718 -1.1103 -1.3458 H 1 UNL1 0.1819 40 H -1.5271 -1.2849 2.3323 H 1 UNL1 0.1508 41 H 0.0699 -0.5379 2.4072 H 1 UNL1 0.1670 42 H -1.3706 0.4419 2.6581 H 1 UNL1 0.1718 43 H -0.5568 3.2638 0.2085 H 1 UNL1 0.1456 44 H -0.7125 2.4479 1.7636 H 1 UNL1 0.1495 45 H -3.1039 2.3150 2.4023 H 1 UNL1 0.1618 46 H -3.2011 3.7460 1.3661 H 1 UNL1 0.1494 47 H -4.3492 2.4209 1.1524 H 1 UNL1 0.1688 48 H 1.2168 -2.3833 -0.8225 H 1 UNL1 0.1396 49 H -3.7248 -1.1780 -3.0705 H 1 UNL1 0.1813 50 H -3.0105 0.3148 -3.6937 H 1 UNL1 0.1768 51 H -4.9763 -2.6876 2.5458 H 1 UNL1 0.1693 52 H -5.9684 -1.2997 2.0685 H 1 UNL1 0.1833 53 H -6.1892 -2.8646 1.2508 H 1 UNL1 0.1714 54 H 2.1727 2.3262 -0.8236 H 1 UNL1 0.1747 55 H 1.7839 2.9946 0.7550 H 1 UNL1 0.1595 56 H -6.0513 -0.1230 -3.2210 H 1 UNL1 0.1615 57 H -5.3402 1.3529 -3.8677 H 1 UNL1 0.1583 58 H -5.2483 -0.1520 -4.8006 H 1 UNL1 0.1464 59 H 3.6518 1.7377 1.8677 H 1 UNL1 0.1467 60 H 3.2055 -2.8003 -0.2384 H 1 UNL1 0.1625 61 H 3.0221 -2.0263 2.1201 H 1 UNL1 0.1800 62 H 4.4229 -0.9644 2.2617 H 1 UNL1 0.1576 63 H 2.7841 -0.3260 2.4998 H 1 UNL1 0.1475 64 H 5.9840 1.3541 -0.6631 H 1 UNL1 0.1910 65 H 5.4107 -2.8611 -1.4190 H 1 UNL1 0.1778 @BOND 1 58 14 1 2 57 14 1 3 14 56 1 4 14 10 1 5 50 10 1 6 10 49 1 7 10 25 1 8 25 18 2 9 25 26 1 10 19 27 2 11 31 7 1 12 65 30 1 13 39 20 1 14 26 1 1 15 27 30 1 16 27 29 1 17 35 4 1 18 30 28 2 19 54 22 1 20 48 6 1 21 64 29 1 22 37 3 1 23 29 33 2 24 28 60 1 25 28 8 1 26 20 6 1 27 20 38 1 28 20 2 1 29 7 6 1 30 7 8 1 31 7 5 1 32 6 23 1 33 4 2 1 34 4 5 1 35 4 21 1 36 33 8 1 37 33 9 1 38 43 21 1 39 1 3 1 40 1 2 1 41 1 24 1 42 22 5 1 43 22 9 1 44 22 55 1 45 3 21 1 46 3 12 1 47 32 9 1 48 8 15 1 49 34 24 1 50 34 13 1 51 2 11 1 52 5 36 1 53 21 44 1 54 9 59 1 55 24 17 2 56 47 12 1 57 23 16 1 58 53 13 1 59 46 12 1 60 12 45 1 61 13 52 1 62 13 51 1 63 15 61 1 64 15 62 1 65 15 63 1 66 11 40 1 67 11 41 1 68 11 42 1