@MOLECULE cortisol succinate 67 70 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.8217 -1.3346 -1.9497 O.3 1 UNL11 -0.5864 2 O -1.7648 1.5469 1.4456 O.3 1 UNL11 -0.5731 3 O 2.8570 -1.6595 0.7772 O.2 1 UNL11 -0.4153 4 O 4.3502 -0.1724 -0.8667 O.3 1 UNL11 -0.4013 5 O -8.0045 1.6017 -1.5435 O.2 1 UNL11 -0.4692 6 O 4.1448 1.1009 0.9815 O.2 1 UNL11 -0.4950 7 O 9.2196 2.2376 -0.2772 O.3 1 UNL11 -0.5663 8 O 9.0469 0.0126 -0.3097 O.2 1 UNL11 -0.4962 9 C -0.2389 -0.7533 0.1534 C.3 1 UNL11 0.0560 10 C -1.4561 -1.6660 -0.1617 C.3 1 UNL11 -0.1437 11 C -2.7339 -1.1538 0.5026 C.3 1 UNL11 -0.1143 12 C -3.0402 0.2344 -0.1124 C.3 1 UNL11 -0.1708 13 C 0.8802 -1.5823 -0.5587 C.3 1 UNL11 0.1681 14 C -0.5142 0.6259 -0.4421 C.3 1 UNL11 -0.3638 15 C -4.3915 0.8233 0.3909 C.3 1 UNL11 0.0540 16 C -1.8487 1.2059 0.0753 C.3 1 UNL11 0.1633 17 C -0.9485 -3.0746 0.1880 C.3 1 UNL11 -0.2774 18 C 0.5393 -3.0551 -0.2384 C.3 1 UNL11 -0.3234 19 C -3.8818 -2.1291 0.2084 C.3 1 UNL11 -0.2787 20 C 0.1088 -0.6659 1.6404 C.3 1 UNL11 -0.4803 21 C -5.4773 -0.2140 0.1796 C.2 1 UNL11 0.1105 22 C -5.2036 -1.5750 0.7391 C.3 1 UNL11 -0.3020 23 C -4.6901 2.1028 -0.4347 C.3 1 UNL11 -0.2797 24 C -4.3746 1.1712 1.8855 C.3 1 UNL11 -0.4445 25 C 2.2991 -1.1785 -0.1726 C.2 1 UNL11 0.4074 26 C -6.1581 2.5180 -0.3582 C.3 1 UNL11 -0.3802 27 C -6.6510 0.0466 -0.4142 C.2 1 UNL11 -0.3791 28 C -7.0334 1.3931 -0.8558 C.2 1 UNL11 0.4944 29 C 2.9520 -0.1558 -1.0724 C.3 1 UNL11 -0.1137 30 C 4.8260 0.4223 0.2624 C.2 1 UNL11 0.6151 31 C 6.2923 0.1207 0.3625 C.3 1 UNL11 -0.3365 32 C 7.0847 1.4018 0.1287 C.3 1 UNL11 -0.3332 33 C 8.5157 1.0802 -0.1648 C.2 1 UNL11 0.6466 34 H -1.6319 -1.6390 -1.2703 H 1 UNL11 0.1368 35 H -2.5953 -1.0499 1.6024 H 1 UNL11 0.1571 36 H -3.1527 0.0872 -1.2200 H 1 UNL11 0.1429 37 H 0.3086 1.3275 -0.2128 H 1 UNL11 0.1500 38 H -0.5420 0.5620 -1.5501 H 1 UNL11 0.1702 39 H -2.0588 2.1725 -0.4447 H 1 UNL11 0.1196 40 H -1.0510 -3.2793 1.2668 H 1 UNL11 0.1494 41 H -1.5159 -3.8610 -0.3286 H 1 UNL11 0.1374 42 H 0.7267 -3.7044 -1.1082 H 1 UNL11 0.1484 43 H 1.1881 -3.4445 0.5697 H 1 UNL11 0.1748 44 H -3.9609 -2.3150 -0.8800 H 1 UNL11 0.1436 45 H -3.6710 -3.1120 0.6706 H 1 UNL11 0.1412 46 H 0.4724 -1.6223 2.0401 H 1 UNL11 0.1651 47 H 0.9041 0.0656 1.8310 H 1 UNL11 0.1553 48 H -0.7636 -0.3895 2.2482 H 1 UNL11 0.1704 49 H -6.0281 -2.2814 0.5124 H 1 UNL11 0.1535 50 H -5.1708 -1.5094 1.8488 H 1 UNL11 0.1619 51 H -4.4113 1.9427 -1.4945 H 1 UNL11 0.1417 52 H -4.0524 2.9317 -0.0693 H 1 UNL11 0.1523 53 H -5.3837 1.3478 2.2709 H 1 UNL11 0.1420 54 H -3.7829 2.0780 2.0788 H 1 UNL11 0.1727 55 H -3.9126 0.3764 2.4819 H 1 UNL11 0.1519 56 H 0.2548 -1.9862 -2.4091 H 1 UNL11 0.3370 57 H -6.3393 3.4396 -0.9446 H 1 UNL11 0.1694 58 H -6.4457 2.7664 0.6837 H 1 UNL11 0.1704 59 H -0.8329 1.6390 1.7305 H 1 UNL11 0.3227 60 H -7.4020 -0.7215 -0.5931 H 1 UNL11 0.1776 61 H 2.5323 0.8555 -0.9154 H 1 UNL11 0.1650 62 H 2.8643 -0.4335 -2.1474 H 1 UNL11 0.1917 63 H 6.5130 -0.3194 1.3607 H 1 UNL11 0.1912 64 H 6.5900 -0.6693 -0.3700 H 1 UNL11 0.2015 65 H 6.6630 1.9881 -0.7212 H 1 UNL11 0.1893 66 H 7.0137 2.0877 1.0056 H 1 UNL11 0.1971 67 H 10.1747 2.1055 -0.4880 H 1 UNL11 0.3577 @BOND 1 1 13 1 2 1 56 1 3 2 16 1 4 2 59 1 5 3 25 2 6 4 29 1 7 4 30 1 8 5 28 2 9 6 30 2 10 7 33 1 11 7 67 1 12 8 33 2 13 9 10 1 14 9 14 1 15 9 20 1 16 10 11 1 17 10 17 1 18 10 34 1 19 11 12 1 20 11 19 1 21 11 35 1 22 12 15 1 23 12 36 1 24 13 9 1 25 13 18 1 26 13 25 1 27 14 16 1 28 14 37 1 29 14 38 1 30 15 21 1 31 15 23 1 32 15 24 1 33 16 12 1 34 16 39 1 35 17 18 1 36 17 40 1 37 17 41 1 38 18 42 1 39 18 43 1 40 19 22 1 41 19 44 1 42 19 45 1 43 20 46 1 44 20 47 1 45 20 48 1 46 21 22 1 47 21 27 2 48 22 49 1 49 22 50 1 50 23 26 1 51 23 51 1 52 23 52 1 53 24 53 1 54 24 54 1 55 24 55 1 56 25 29 1 57 26 28 1 58 26 57 1 59 26 58 1 60 27 28 1 61 27 60 1 62 29 61 1 63 29 62 1 64 30 31 1 65 31 32 1 66 31 63 1 67 31 64 1 68 32 33 1 69 32 65 1 70 32 66 1