@MOLECULE fluocortolone 21-caproate 73 76 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -2.6207 -0.8740 0.5186 C.3 1 UNL1 -0.1187 2 C -1.5268 -1.6728 -0.1886 C.3 1 UNL1 -0.1416 3 C -2.7560 0.4851 -0.2087 C.3 1 UNL1 -0.1949 4 C -0.1467 -0.9726 -0.0484 C.3 1 UNL1 0.0918 5 C -3.8754 1.3532 0.4443 C.3 1 UNL1 0.0398 6 C -1.4076 1.2346 -0.3608 C.3 1 UNL1 0.1669 7 C -5.0594 -0.7885 1.0987 C.3 1 UNL1 0.0836 8 C 0.7835 -2.0474 -0.6894 C.3 1 UNL1 -0.2760 9 C 0.1797 -3.4107 -0.2288 C.3 1 UNL1 -0.0669 10 C 3.0703 -0.9760 -1.0880 C.3 1 UNL1 -0.1442 11 C 6.2211 0.3024 0.2428 C.3 1 UNL1 -0.3491 12 C 7.3284 1.2087 -0.3002 C.3 1 UNL1 -0.2581 13 C 8.5051 1.2476 0.6818 C.3 1 UNL1 -0.2683 14 C 9.6298 2.1477 0.1535 C.3 1 UNL1 -0.2487 15 C 0.2863 -0.7444 1.4032 C.3 1 UNL1 -0.4682 16 C -3.6087 1.7366 1.9119 C.3 1 UNL1 -0.4496 17 C 0.1787 -4.4224 -1.3705 C.3 1 UNL1 -0.4599 18 C 10.8161 2.1511 1.1178 C.3 1 UNL1 -0.4422 19 H -0.8335 1.3449 1.5388 H 1 UNL1 0.3221 20 O 2.6593 -2.4834 0.7177 O.2 1 UNL1 -0.4050 21 O -7.3813 2.6866 -1.3606 O.2 1 UNL1 -0.4383 22 O 4.7560 1.0288 -1.5763 O.2 1 UNL1 -0.5082 23 C -3.9505 -1.6361 0.4550 C.3 1 UNL1 -0.3308 24 C -1.2566 -3.1075 0.2782 C.3 1 UNL1 -0.2966 25 C -0.2247 0.3493 -0.8141 C.3 1 UNL1 -0.3695 26 O -1.0568 1.9451 0.7976 O.3 1 UNL1 -0.5681 27 C 2.2179 -1.9031 -0.2372 C.2 1 UNL1 0.4374 28 C 5.0489 0.2748 -0.6871 C.2 1 UNL1 0.6019 29 O 4.2768 -0.7984 -0.3580 O.3 1 UNL1 -0.3913 30 C -6.3510 2.2842 -0.8697 C.2 1 UNL1 0.4678 31 C -3.9888 2.6522 -0.3140 C.2 1 UNL1 -0.0857 32 C -6.2760 0.9732 -0.1949 C.2 1 UNL1 -0.2966 33 C -5.1070 3.0766 -0.9079 C.2 1 UNL1 -0.2981 34 F -6.2275 -1.4713 0.9924 F 1 UNL1 -0.2099 35 C -5.1586 0.5441 0.3999 C.2 1 UNL1 0.0008 36 H -2.3468 -0.7108 1.5860 H 1 UNL1 0.1445 37 H -1.7877 -1.7201 -1.2780 H 1 UNL1 0.1440 38 H -3.1014 0.2677 -1.2557 H 1 UNL1 0.1562 39 H -1.5313 2.0729 -1.0951 H 1 UNL1 0.1401 40 H -4.8633 -0.6362 2.1986 H 1 UNL1 0.1492 41 H 0.7263 -1.9721 -1.7977 H 1 UNL1 0.1597 42 H 0.7832 -3.8196 0.6172 H 1 UNL1 0.1580 43 H -4.2095 -1.8824 -0.5940 H 1 UNL1 0.1633 44 H -3.8595 -2.6108 0.9728 H 1 UNL1 0.1600 45 H -1.3138 -3.1941 1.3754 H 1 UNL1 0.1428 46 H -1.9923 -3.8191 -0.1250 H 1 UNL1 0.1436 47 H 0.7077 0.9352 -0.6822 H 1 UNL1 0.1652 48 H -0.3118 0.1612 -1.9004 H 1 UNL1 0.1518 49 H 0.4839 -1.6960 1.9198 H 1 UNL1 0.1708 50 H 1.2149 -0.1615 1.4596 H 1 UNL1 0.1573 51 H -0.4725 -0.2204 1.9952 H 1 UNL1 0.1385 52 H -3.0763 3.2560 -0.3146 H 1 UNL1 0.1654 53 H -2.8311 2.5118 1.9895 H 1 UNL1 0.1770 54 H -4.5129 2.1492 2.3784 H 1 UNL1 0.1584 55 H -3.2766 0.8859 2.5119 H 1 UNL1 0.1434 56 H -0.4415 -4.0929 -2.2111 H 1 UNL1 0.1457 57 H 1.1925 -4.5976 -1.7498 H 1 UNL1 0.1487 58 H -0.2099 -5.3929 -1.0379 H 1 UNL1 0.1499 59 H -7.2075 0.4053 -0.2274 H 1 UNL1 0.1908 60 H -5.1746 4.0256 -1.4381 H 1 UNL1 0.1784 61 H 3.3214 -1.4374 -2.0619 H 1 UNL1 0.1592 62 H 2.5773 -0.0017 -1.2689 H 1 UNL1 0.1648 63 H 6.6033 -0.7285 0.4132 H 1 UNL1 0.1834 64 H 5.8819 0.6522 1.2438 H 1 UNL1 0.1816 65 H 7.6655 0.8517 -1.2928 H 1 UNL1 0.1487 66 H 6.9349 2.2310 -0.4757 H 1 UNL1 0.1555 67 H 8.1665 1.6131 1.6698 H 1 UNL1 0.1382 68 H 8.8929 0.2255 0.8527 H 1 UNL1 0.1390 69 H 9.9568 1.8025 -0.8457 H 1 UNL1 0.1359 70 H 9.2556 3.1790 0.0094 H 1 UNL1 0.1363 71 H 11.6248 2.7936 0.7515 H 1 UNL1 0.1422 72 H 10.5279 2.5197 2.1084 H 1 UNL1 0.1426 73 H 11.2299 1.1451 1.2486 H 1 UNL1 0.1426 @BOND 1 56 17 1 2 61 10 1 3 48 25 1 4 41 8 1 5 57 17 1 6 22 28 2 7 60 33 1 8 17 58 1 9 17 9 1 10 21 30 2 11 65 12 1 12 37 2 1 13 62 10 1 14 38 3 1 15 39 6 1 16 10 29 1 17 10 27 1 18 33 30 1 19 33 31 2 20 30 32 1 21 69 14 1 22 25 47 1 23 25 6 1 24 25 4 1 25 8 27 1 26 8 9 1 27 8 4 1 28 28 29 1 29 28 11 1 30 43 23 1 31 66 12 1 32 6 3 1 33 6 26 1 34 52 31 1 35 31 5 1 36 12 11 1 37 12 13 1 38 27 20 2 39 9 24 1 40 9 42 1 41 59 32 1 42 3 5 1 43 3 1 1 44 32 35 2 45 2 4 1 46 2 24 1 47 2 1 1 48 46 24 1 49 4 15 1 50 70 14 1 51 14 13 1 52 14 18 1 53 11 63 1 54 11 64 1 55 24 45 1 56 35 5 1 57 35 7 1 58 5 16 1 59 23 1 1 60 23 44 1 61 23 7 1 62 1 36 1 63 13 68 1 64 13 67 1 65 71 18 1 66 26 19 1 67 34 7 1 68 7 40 1 69 18 73 1 70 18 72 1 71 15 50 1 72 15 49 1 73 15 51 1 74 16 53 1 75 16 54 1 76 16 55 1