@MOLECULE (8xi,9xi,10alpha,14xi,17xi)-7-chloro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-diene-17,21-diyl dipropanoate 73 76 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 CL -1.2035 3.1944 -0.7058 Cl 1 UNL1 -0.2143 2 O 2.6150 -1.9796 1.0579 O.3 1 UNL1 -0.4460 3 O -0.8238 -1.7364 -2.2995 O.3 1 UNL1 -0.5682 4 O 4.5946 -0.4449 0.2330 O.2 1 UNL1 -0.4430 5 O 2.5028 2.1855 0.8538 O.3 1 UNL1 -0.4212 6 O 3.4335 -3.9499 1.0293 O.2 1 UNL1 -0.4628 7 O -6.6250 -0.9947 1.8805 O.2 1 UNL1 -0.4364 8 O 1.2429 3.8445 1.4235 O.2 1 UNL1 -0.4240 9 C 1.1322 -0.6659 -0.4113 C.3 1 UNL1 0.0595 10 C 0.2518 0.5323 0.0290 C.3 1 UNL1 -0.1393 11 C -1.1623 0.5126 -0.5811 C.3 1 UNL1 -0.1501 12 C -1.8738 -0.8195 -0.2829 C.3 1 UNL1 -0.1782 13 C 2.2678 -0.6747 0.6704 C.3 1 UNL1 0.1543 14 C 0.2865 0.5329 1.5660 C.3 1 UNL1 -0.2962 15 C 0.3669 -1.9965 -0.3008 C.3 1 UNL1 -0.3124 16 C 1.6359 -0.0829 1.9848 C.3 1 UNL1 -0.0781 17 C -1.0357 -1.9521 -0.9175 C.3 1 UNL1 0.1594 18 C -3.3700 -0.8275 -0.7112 C.3 1 UNL1 0.0156 19 C -1.9592 1.7012 -0.0480 C.3 1 UNL1 0.0013 20 C 1.6131 -0.4489 -1.8438 C.3 1 UNL1 -0.4799 21 C -3.4119 1.7032 -0.4998 C.3 1 UNL1 -0.3349 22 C -4.0233 0.3961 -0.1044 C.2 1 UNL1 0.0795 23 C 3.5276 0.1111 0.3224 C.2 1 UNL1 0.4056 24 C 1.4546 -1.1292 3.0816 C.3 1 UNL1 -0.4360 25 C -3.5966 -0.7685 -2.2321 C.3 1 UNL1 -0.4478 26 C -3.9892 -2.1121 -0.2196 C.2 1 UNL1 -0.1039 27 C -5.0628 0.3367 0.7365 C.2 1 UNL1 -0.3274 28 C 3.5270 1.6193 0.0692 C.3 1 UNL1 -0.1304 29 C -5.0256 -2.1678 0.6198 C.2 1 UNL1 -0.2757 30 C 3.3374 -2.9294 0.3936 C.2 1 UNL1 0.6268 31 C -5.6630 -0.9436 1.1492 C.2 1 UNL1 0.4699 32 C 3.9282 -2.7305 -0.9659 C.3 1 UNL1 -0.3541 33 C 3.5466 -3.9052 -1.8631 C.3 1 UNL1 -0.4254 34 C 2.0840 3.4801 0.6483 C.2 1 UNL1 0.5994 35 C 2.6799 4.2906 -0.4623 C.3 1 UNL1 -0.3595 36 C 1.9333 4.0186 -1.7658 C.3 1 UNL1 -0.4213 37 H -1.6124 -1.9726 -2.8221 H 1 UNL1 0.3116 38 H 0.7533 1.4648 -0.3334 H 1 UNL1 0.1542 39 H -1.0606 0.5989 -1.6964 H 1 UNL1 0.1701 40 H -1.8653 -0.9835 0.8285 H 1 UNL1 0.1655 41 H -0.5559 -0.0375 1.9911 H 1 UNL1 0.1437 42 H 0.1974 1.5639 1.9613 H 1 UNL1 0.1641 43 H 0.2792 -2.2976 0.7663 H 1 UNL1 0.1736 44 H 0.9491 -2.8031 -0.7904 H 1 UNL1 0.1593 45 H 2.3060 0.7138 2.3906 H 1 UNL1 0.1581 46 H -1.5370 -2.9390 -0.7925 H 1 UNL1 0.1113 47 H -1.8794 1.8062 1.0569 H 1 UNL1 0.1691 48 H 2.3351 0.3612 -1.9462 H 1 UNL1 0.1297 49 H 0.7603 -0.2023 -2.4992 H 1 UNL1 0.1800 50 H 2.0416 -1.3595 -2.2815 H 1 UNL1 0.1615 51 H -3.4981 1.8529 -1.5988 H 1 UNL1 0.1758 52 H -3.9574 2.5658 -0.0570 H 1 UNL1 0.1755 53 H 0.8292 -1.9697 2.7581 H 1 UNL1 0.1531 54 H 0.9966 -0.6865 3.9729 H 1 UNL1 0.1450 55 H 2.4195 -1.5634 3.3827 H 1 UNL1 0.1640 56 H -2.9212 -0.0493 -2.7129 H 1 UNL1 0.1610 57 H -4.6262 -0.4623 -2.4646 H 1 UNL1 0.1637 58 H -3.4497 -1.7434 -2.7113 H 1 UNL1 0.1439 59 H -3.5337 -3.0219 -0.6143 H 1 UNL1 0.1505 60 H -5.5288 1.2226 1.1678 H 1 UNL1 0.1837 61 H 4.4963 2.0537 0.3910 H 1 UNL1 0.1616 62 H 3.3762 1.8163 -1.0091 H 1 UNL1 0.1536 63 H -5.4661 -3.1052 0.9589 H 1 UNL1 0.1781 64 H 5.0376 -2.6695 -0.8501 H 1 UNL1 0.1918 65 H 3.6426 -1.7742 -1.4375 H 1 UNL1 0.1674 66 H 3.7908 -4.8670 -1.3865 H 1 UNL1 0.1678 67 H 4.0842 -3.8662 -2.8174 H 1 UNL1 0.1477 68 H 2.4734 -3.9171 -2.0885 H 1 UNL1 0.1453 69 H 3.7658 4.1103 -0.5742 H 1 UNL1 0.1633 70 H 2.5946 5.3715 -0.2011 H 1 UNL1 0.1806 71 H 1.7147 2.9546 -1.9194 H 1 UNL1 0.1533 72 H 2.5056 4.3691 -2.6330 H 1 UNL1 0.1502 73 H 0.9679 4.5456 -1.7890 H 1 UNL1 0.1663 @BOND 1 37 3 1 2 67 33 1 3 56 25 1 4 58 25 1 5 72 36 1 6 49 20 1 7 57 25 1 8 3 17 1 9 50 20 1 10 25 18 1 11 68 33 1 12 48 20 1 13 71 36 1 14 33 66 1 15 33 32 1 16 20 9 1 17 73 36 1 18 36 35 1 19 39 11 1 20 51 21 1 21 65 32 1 22 62 28 1 23 32 64 1 24 32 30 1 25 17 46 1 26 17 15 1 27 17 12 1 28 44 15 1 29 18 12 1 30 18 26 1 31 18 22 1 32 1 19 1 33 59 26 1 34 11 12 1 35 11 19 1 36 11 10 1 37 69 35 1 38 21 22 1 39 21 52 1 40 21 19 1 41 35 70 1 42 35 34 1 43 9 15 1 44 9 10 1 45 9 13 1 46 38 10 1 47 15 43 1 48 12 40 1 49 26 29 2 50 22 27 2 51 19 47 1 52 10 14 1 53 28 23 1 54 28 61 1 55 28 5 1 56 4 23 2 57 23 13 1 58 30 6 2 59 30 2 1 60 29 63 1 61 29 31 1 62 34 5 1 63 34 8 2 64 13 2 1 65 13 16 1 66 27 31 1 67 27 60 1 68 31 7 2 69 14 42 1 70 14 16 1 71 14 41 1 72 16 45 1 73 16 24 1 74 53 24 1 75 24 55 1 76 24 54 1