@MOLECULE alclometasone-17,21-dipropionate 36 42 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -1.4714 3.2327 0.0654 Cl 1 UNL1 0.2128 2 O 3.3015 0.3122 0.2371 O.3 1 UNL1 -0.4164 3 O -1.0143 -3.0030 -0.3269 O.2 1 UNL1 -0.2567 4 O 2.4965 1.3261 -2.8218 O.2 1 UNL1 -0.2847 5 O 2.7852 -1.9271 -1.5870 O.3 1 UNL1 -0.1368 6 O 4.4194 -0.2027 2.1695 O.3 1 UNL1 -0.0845 7 O -7.7220 -0.7318 0.4399 O.2 1 UNL1 -0.2965 8 O 2.1866 -4.2513 0.5681 O.2 1 UNL1 -0.3231 9 C 0.9471 0.0679 -0.2920 C.ar 1 UNL1 -0.0527 10 C -0.1357 0.9501 -0.1759 C.ar 1 UNL1 -0.0932 11 C -1.4809 0.5805 -0.0667 C.ar 1 UNL1 0.0626 12 C -1.7234 -0.8008 -0.1146 C.ar 1 UNL1 -0.0920 13 C 2.2212 0.8867 -0.4711 C.3 1 UNL1 0.1701 14 C 0.3729 2.2982 -0.1680 C.3 1 UNL1 -0.0079 15 C 0.7434 -1.3069 -0.3828 C.ar 1 UNL1 -0.0847 16 C 1.7051 2.3609 -0.2478 C.3 1 UNL1 -0.0785 17 C -0.5896 -1.6779 -0.2751 C.ar 1 UNL1 0.1799 18 C -2.8609 -1.6862 -0.0602 C.ar 1 UNL1 -0.1735 19 C -2.3606 1.7362 0.0728 C.3 1 UNL1 -0.0110 20 C 1.8690 -2.1730 -0.5851 C.3 1 UNL1 -0.0379 21 C -3.6558 1.8034 0.2020 C.1 1 UNL1 -0.0275 22 C -4.9333 1.5687 0.3110 C.1 1 UNL1 0.0021 23 C 2.6176 0.5272 -1.9412 C.2 1 UNL1 0.2168 24 C 2.6976 3.2632 0.1052 C.2 1 UNL1 0.0040 25 C -2.3140 -3.1110 -0.2034 C.ar 1 UNL1 0.3931 26 C -4.1897 -1.4328 0.0801 C.1 1 UNL1 0.0317 27 C -6.0295 0.9637 0.3808 C.3 1 UNL1 -0.0831 28 C 3.1496 -0.8769 -2.1586 C.3 1 UNL1 0.2875 29 C -5.3822 -1.1634 0.2035 C.1 1 UNL1 -0.1544 30 C 4.0043 0.8162 1.3095 C.3 1 UNL1 0.3032 31 C -6.5804 -0.3764 0.3567 C.2 1 UNL1 0.4994 32 C 4.3655 2.0912 1.3777 C.3 1 UNL1 -0.0915 33 C 3.7660 3.1078 0.7642 C.2 1 UNL1 0.0004 34 C 2.4255 -3.0820 0.4715 C.2 1 UNL1 0.5116 35 C 3.2425 -2.2517 1.2844 C.1 1 UNL1 -0.2585 36 C 3.8561 -1.3321 1.7899 C.1 1 UNL1 0.1699 @BOND 1 4 23 2 2 28 23 1 3 28 5 1 4 23 13 1 5 5 20 1 6 20 15 1 7 20 34 1 8 13 9 1 9 13 16 1 10 13 2 1 11 15 9 ar 12 15 17 ar 13 3 17 ar 14 3 25 ar 15 9 10 ar 16 17 12 ar 17 16 14 1 18 16 24 1 19 25 18 ar 20 10 14 1 21 10 11 ar 22 12 11 ar 23 12 18 ar 24 11 19 1 25 18 26 1 26 1 19 1 27 19 21 1 28 26 29 3 29 24 33 2 30 21 22 3 31 29 31 1 32 2 30 1 33 22 27 1 34 31 27 1 35 31 7 2 36 34 8 2 37 34 35 1 38 33 32 1 39 35 36 3 40 30 32 1 41 30 6 1 42 36 6 1