@MOLECULE alclometasone-17,21-dipropionate 73 76 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -1.7084 1.0014 0.4764 C.3 1 UNL1 0.1342 2 C -0.4494 0.0661 0.4643 C.3 1 UNL1 0.0634 3 C -1.3404 2.1986 1.4092 C.3 1 UNL1 -0.1075 4 C 0.6979 1.0780 0.7199 C.3 1 UNL1 -0.1384 5 C 1.9981 0.3311 1.0032 C.3 1 UNL1 -0.1573 6 C 1.2281 -1.3225 -0.8360 C.3 1 UNL1 0.1634 7 C 2.3930 -0.4841 -0.2491 C.3 1 UNL1 -0.1553 8 C 3.1188 1.2795 1.4144 C.3 1 UNL1 -0.0103 9 C 3.6754 -1.3185 0.0507 C.3 1 UNL1 0.0320 10 C -3.5221 -0.7687 -0.0195 C.3 1 UNL1 -0.1338 11 C -2.9054 2.5204 -2.6501 C.3 1 UNL1 -0.3213 12 C -6.5057 -2.7024 0.7929 C.3 1 UNL1 -0.3255 13 C -0.6111 -0.9625 1.5882 C.3 1 UNL1 -0.4865 14 C -1.5320 3.5595 0.7495 C.3 1 UNL1 -0.4533 15 C -4.1657 3.2831 -3.0411 C.3 1 UNL1 -0.4224 16 C 3.5219 -2.3512 1.1843 C.3 1 UNL1 -0.4394 17 C -7.3845 -3.6488 -0.0139 C.3 1 UNL1 -0.4231 18 H 0.2329 -2.8673 -0.0663 H 1 UNL1 0.3223 19 O -3.3929 0.4042 2.0636 O.2 1 UNL1 -0.3848 20 O -3.9842 2.0909 -0.5077 O.2 1 UNL1 -0.4885 21 O -5.3022 -2.2196 -1.2761 O.2 1 UNL1 -0.5144 22 O 7.4870 -1.3175 -1.5941 O.2 1 UNL1 -0.4481 23 C -0.1348 -0.6036 -0.8726 C.3 1 UNL1 -0.3535 24 C 0.1452 1.9959 1.8114 C.3 1 UNL1 -0.2970 25 C 4.4380 0.5541 1.6239 C.3 1 UNL1 -0.3304 26 O 1.1478 -2.5311 -0.1044 O.3 1 UNL1 -0.5795 27 C -2.9573 0.2419 0.9579 C.2 1 UNL1 0.4127 28 C -3.0349 2.0299 -1.2420 C.2 1 UNL1 0.6088 29 C -5.4245 -2.1502 -0.0808 C.2 1 UNL1 0.6035 30 O -1.8737 1.4127 -0.8713 O.3 1 UNL1 -0.4608 31 O -4.5144 -1.4966 0.6958 O.3 1 UNL1 -0.3873 32 C 6.3524 -1.2456 -1.1800 C.2 1 UNL1 0.4777 33 CL 3.3806 2.4945 0.1198 Cl 1 UNL1 -0.1975 34 C 4.0514 -2.1038 -1.1794 C.2 1 UNL1 -0.0845 35 C 5.9792 -0.3302 -0.0881 C.2 1 UNL1 -0.3336 36 C 5.2657 -2.0780 -1.7345 C.2 1 UNL1 -0.2995 37 C 4.7651 -0.3533 0.4771 C.2 1 UNL1 0.0836 38 H 0.8280 1.6979 -0.2073 H 1 UNL1 0.1645 39 H 1.8364 -0.3805 1.8569 H 1 UNL1 0.1690 40 H 2.6671 0.2419 -1.0633 H 1 UNL1 0.1639 41 H -1.9807 2.1532 2.3255 H 1 UNL1 0.1699 42 H -0.9274 -1.3154 -1.1657 H 1 UNL1 0.1490 43 H -0.1208 0.1579 -1.6823 H 1 UNL1 0.1728 44 H -1.3727 -1.7164 1.3632 H 1 UNL1 0.1507 45 H 0.3231 -1.5132 1.7761 H 1 UNL1 0.1754 46 H -0.8924 -0.4899 2.5392 H 1 UNL1 0.1654 47 H 0.6888 2.9521 1.8626 H 1 UNL1 0.1493 48 H 0.2239 1.5399 2.8112 H 1 UNL1 0.1412 49 H -2.5925 3.7719 0.5603 H 1 UNL1 0.1587 50 H -1.1671 4.3659 1.3982 H 1 UNL1 0.1502 51 H -0.9874 3.6337 -0.1994 H 1 UNL1 0.1506 52 H -3.9786 -0.2768 -0.9030 H 1 UNL1 0.1758 53 H -2.7618 -1.4887 -0.3732 H 1 UNL1 0.1517 54 H 1.4970 -1.6369 -1.8771 H 1 UNL1 0.1199 55 H -2.7306 1.6626 -3.3362 H 1 UNL1 0.1786 56 H -2.0036 3.1629 -2.7493 H 1 UNL1 0.1774 57 H 2.8346 1.8816 2.3049 H 1 UNL1 0.1537 58 H -4.0869 3.7002 -4.0509 H 1 UNL1 0.1482 59 H -5.0553 2.6372 -3.0141 H 1 UNL1 0.1630 60 H -4.3656 4.1155 -2.3517 H 1 UNL1 0.1593 61 H 5.2597 1.2862 1.8023 H 1 UNL1 0.1765 62 H 4.3928 -0.0457 2.5624 H 1 UNL1 0.1719 63 H -7.1025 -1.8589 1.2101 H 1 UNL1 0.1836 64 H -6.0715 -3.2116 1.6802 H 1 UNL1 0.1782 65 H 3.2573 -2.7471 -1.5671 H 1 UNL1 0.1629 66 H 2.8481 -3.1723 0.8980 H 1 UNL1 0.1803 67 H 4.4898 -2.8051 1.4321 H 1 UNL1 0.1525 68 H 3.1068 -1.9100 2.0940 H 1 UNL1 0.1443 69 H -7.7734 -3.1604 -0.9198 H 1 UNL1 0.1628 70 H -6.8253 -4.5288 -0.3529 H 1 UNL1 0.1530 71 H -8.2413 -4.0009 0.5722 H 1 UNL1 0.1497 72 H 6.7652 0.3576 0.2213 H 1 UNL1 0.1808 73 H 5.5314 -2.6700 -2.6084 H 1 UNL1 0.1771 @BOND 1 58 15 1 2 55 11 1 3 15 59 1 4 15 11 1 5 15 60 1 6 56 11 1 7 11 28 1 8 73 36 1 9 54 6 1 10 36 32 1 11 36 34 2 12 43 23 1 13 22 32 2 14 65 34 1 15 21 29 2 16 28 30 1 17 28 20 2 18 32 35 1 19 34 9 1 20 42 23 1 21 40 7 1 22 69 17 1 23 52 10 1 24 23 6 1 25 23 2 1 26 30 1 1 27 6 7 1 28 6 26 1 29 53 10 1 30 70 17 1 31 7 9 1 32 7 5 1 33 38 4 1 34 51 14 1 35 26 18 1 36 35 72 1 37 35 37 2 38 29 31 1 39 29 12 1 40 10 31 1 41 10 27 1 42 17 71 1 43 17 12 1 44 9 37 1 45 9 16 1 46 33 8 1 47 2 1 1 48 2 4 1 49 2 13 1 50 1 27 1 51 1 3 1 52 37 25 1 53 49 14 1 54 4 5 1 55 4 24 1 56 14 50 1 57 14 3 1 58 12 63 1 59 12 64 1 60 66 16 1 61 27 19 2 62 5 8 1 63 5 39 1 64 16 67 1 65 16 68 1 66 44 13 1 67 3 24 1 68 3 41 1 69 8 25 1 70 8 57 1 71 13 45 1 72 13 46 1 73 25 61 1 74 25 62 1 75 24 47 1 76 24 48 1