@MOLECULE (3beta,11beta)-17-acetoxy-6,11-dichloro-20-oxo-19-norpregna-4,6-dien-3-yl benzoate 68 72 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.3622 -0.3760 -0.9816 C.3 1 UNL1 -0.1230 2 C -2.7815 -0.7787 -0.5845 C.3 1 UNL1 -0.1364 3 C -0.7838 0.4324 0.2115 C.3 1 UNL1 -0.1621 4 C -3.6786 0.4859 -0.4668 C.3 1 UNL1 0.0705 5 C -5.0614 -0.1977 -0.1785 C.3 1 UNL1 0.1479 6 C 0.6978 0.7731 -0.0731 C.3 1 UNL1 -0.1142 7 C -1.6449 1.6521 0.5413 C.3 1 UNL1 -0.0002 8 C 3.4097 0.4156 1.0860 C.3 1 UNL1 0.1426 9 C 8.1069 -0.7178 0.8804 C.ar 1 UNL1 -0.0769 10 C 7.1318 0.9408 -0.5976 C.ar 1 UNL1 -0.0723 11 C 9.3635 -0.4573 0.3404 C.ar 1 UNL1 -0.1791 12 C 8.3922 1.1977 -1.1324 C.ar 1 UNL1 -0.1807 13 C 9.5054 0.5016 -0.6623 C.ar 1 UNL1 -0.0985 14 C -3.8143 1.2676 -1.7746 C.3 1 UNL1 -0.4723 15 C -6.7367 1.5722 0.6943 C.3 1 UNL1 -0.5458 16 C -5.6310 -1.5143 3.2080 C.3 1 UNL1 -0.5117 17 C 6.9952 -0.0132 0.4120 C.ar 1 UNL1 -0.1471 18 O -6.7450 0.7798 -1.5355 O.2 1 UNL1 -0.4402 19 O -7.0332 -1.4670 1.2327 O.2 1 UNL1 -0.5000 20 O 5.4301 -1.1816 1.8110 O.2 1 UNL1 -0.5054 21 C -3.1405 1.3663 0.6649 C.3 1 UNL1 -0.3280 22 C -3.5945 -1.7097 -1.4950 C.3 1 UNL1 -0.2688 23 C -5.0584 -1.4692 -1.0534 C.3 1 UNL1 -0.3059 24 C 1.2787 1.6882 1.0185 C.3 1 UNL1 -0.2781 25 C 2.7953 1.8008 0.8635 C.3 1 UNL1 -0.2957 26 C -6.2505 0.7272 -0.4384 C.2 1 UNL1 0.4627 27 C -6.0052 -1.2076 1.7988 C.2 1 UNL1 0.6339 28 C 5.6852 -0.3093 1.0180 C.2 1 UNL1 0.6075 29 O -4.9862 -0.5341 1.2045 O.3 1 UNL1 -0.4654 30 O 4.7456 0.5656 0.5796 O.3 1 UNL1 -0.4404 31 C 0.7922 -1.5646 -0.9251 C.2 1 UNL1 -0.0011 32 CL -1.4029 2.9074 -0.7202 Cl 1 UNL1 -0.2091 33 CL 1.7265 -2.9391 -1.3658 Cl 1 UNL1 -0.0951 34 C -0.4952 -1.5530 -1.2834 C.2 1 UNL1 -0.1745 35 C 2.7185 -0.6591 0.3088 C.2 1 UNL1 -0.1819 36 C 1.4852 -0.5156 -0.1946 C.2 1 UNL1 -0.0360 37 H -1.3858 0.2717 -1.8994 H 1 UNL1 0.1744 38 H -2.7282 -1.2699 0.4234 H 1 UNL1 0.1523 39 H -0.8066 -0.2328 1.1176 H 1 UNL1 0.1610 40 H 0.7761 1.3013 -1.0607 H 1 UNL1 0.1700 41 H -1.2817 2.1485 1.4710 H 1 UNL1 0.1462 42 H -3.7117 2.3154 0.7167 H 1 UNL1 0.1625 43 H -3.3193 0.8697 1.6445 H 1 UNL1 0.1678 44 H -3.4527 -1.4621 -2.5599 H 1 UNL1 0.1486 45 H -3.3035 -2.7640 -1.3752 H 1 UNL1 0.1416 46 H -0.9709 -2.3673 -1.8290 H 1 UNL1 0.1743 47 H -5.4603 -2.3324 -0.4983 H 1 UNL1 0.1607 48 H -5.7251 -1.3445 -1.9286 H 1 UNL1 0.1758 49 H -4.4671 0.7580 -2.4987 H 1 UNL1 0.1701 50 H -4.2395 2.2648 -1.6116 H 1 UNL1 0.1576 51 H -2.8535 1.4068 -2.2835 H 1 UNL1 0.1655 52 H 0.8313 2.6990 0.9548 H 1 UNL1 0.1507 53 H 1.0254 1.2980 2.0224 H 1 UNL1 0.1421 54 H 3.3086 -1.5727 0.2040 H 1 UNL1 0.1825 55 H 3.2181 2.5332 1.5743 H 1 UNL1 0.1504 56 H 3.0609 2.1761 -0.1460 H 1 UNL1 0.1656 57 H 3.4585 0.1474 2.1700 H 1 UNL1 0.1532 58 H -7.5570 1.0549 1.2216 H 1 UNL1 0.1922 59 H -5.9562 1.7987 1.4290 H 1 UNL1 0.1679 60 H -7.1550 2.5224 0.3279 H 1 UNL1 0.1832 61 H -6.0487 -0.7618 3.8955 H 1 UNL1 0.1851 62 H -6.0360 -2.4936 3.5117 H 1 UNL1 0.1885 63 H -4.5409 -1.5335 3.3615 H 1 UNL1 0.1855 64 H 7.9825 -1.4683 1.6656 H 1 UNL1 0.1728 65 H 6.2566 1.4807 -0.9662 H 1 UNL1 0.1707 66 H 10.2336 -1.0028 0.7008 H 1 UNL1 0.1567 67 H 8.5069 1.9418 -1.9181 H 1 UNL1 0.1559 68 H 10.4899 0.7070 -1.0814 H 1 UNL1 0.1492 @BOND 1 44 22 1 2 49 14 1 3 51 14 1 4 48 23 1 5 67 12 1 6 37 1 1 7 46 34 1 8 14 50 1 9 14 4 1 10 18 26 2 11 22 45 1 12 22 23 1 13 22 2 1 14 33 31 1 15 34 1 1 16 34 31 2 17 12 13 ar 18 12 10 ar 19 68 13 1 20 40 6 1 21 23 47 1 22 23 5 1 23 1 2 1 24 1 3 1 25 65 10 1 26 31 36 1 27 32 7 1 28 13 11 ar 29 10 17 ar 30 2 4 1 31 2 38 1 32 4 5 1 33 4 21 1 34 26 5 1 35 26 15 1 36 36 6 1 37 36 35 2 38 5 29 1 39 56 25 1 40 6 3 1 41 6 24 1 42 54 35 1 43 3 7 1 44 3 39 1 45 35 8 1 46 60 15 1 47 11 66 1 48 11 9 ar 49 17 9 ar 50 17 28 1 51 7 21 1 52 7 41 1 53 30 28 1 54 30 8 1 55 21 42 1 56 21 43 1 57 15 58 1 58 15 59 1 59 25 24 1 60 25 8 1 61 25 55 1 62 9 64 1 63 52 24 1 64 28 20 2 65 24 53 1 66 8 57 1 67 29 27 1 68 19 27 2 69 27 16 1 70 16 63 1 71 16 62 1 72 16 61 1