@MOLECULE cortisol 56 59 0 0 0 SMALL USER_CHARGES @ATOM 1 O -2.9533 -0.3233 1.8725 O.3 1 UNL11111111 -0.5460 2 O 0.3602 1.9355 -1.2491 O.3 1 UNL11111111 -0.5755 3 O -4.2098 1.5703 -0.2330 O.2 1 UNL11111111 -0.4260 4 O -6.7133 0.7720 0.2660 O.3 1 UNL11111111 -0.5215 5 O 6.4738 0.0847 1.3319 O.2 1 UNL11111111 -0.4727 6 C -1.7462 0.0618 -0.1505 C.3 1 UNL11111111 0.0850 7 C -0.8630 -1.1933 0.0951 C.3 1 UNL11111111 -0.1502 8 C 0.5249 -1.0166 -0.5251 C.3 1 UNL11111111 -0.1157 9 C 1.1970 0.1906 0.1765 C.3 1 UNL11111111 -0.1646 10 C -3.0866 -0.4338 0.4683 C.3 1 UNL11111111 0.1641 11 C -1.1149 1.2503 0.5653 C.3 1 UNL11111111 -0.3649 12 C 2.6560 0.4260 -0.3112 C.3 1 UNL11111111 0.0555 13 C 0.3311 1.4719 0.0885 C.3 1 UNL11111111 0.1594 14 C -1.7596 -2.3506 -0.3800 C.3 1 UNL11111111 -0.2675 15 C -3.1958 -1.9063 0.0082 C.3 1 UNL11111111 -0.3293 16 C 1.3663 -2.2799 -0.2956 C.3 1 UNL11111111 -0.2785 17 C -1.9770 0.3540 -1.6367 C.3 1 UNL11111111 -0.4780 18 C 3.4303 -0.8748 -0.2473 C.2 1 UNL11111111 0.1117 19 C 2.7763 -2.0784 -0.8536 C.3 1 UNL11111111 -0.3011 20 C 3.2959 1.4841 0.6276 C.3 1 UNL11111111 -0.2791 21 C 2.7333 0.9112 -1.7656 C.3 1 UNL11111111 -0.4444 22 C -4.3070 0.4399 0.1702 C.2 1 UNL11111111 0.3863 23 C 4.8140 1.5531 0.4838 C.3 1 UNL11111111 -0.3807 24 C 4.6746 -0.9628 0.2472 C.2 1 UNL11111111 -0.3809 25 C 5.4180 0.1971 0.7550 C.2 1 UNL11111111 0.4954 26 C -5.6665 -0.1464 0.4796 C.3 1 UNL11111111 -0.1119 27 H -0.7244 -1.3103 1.2051 H 1 UNL11111111 0.1513 28 H 0.4452 -0.8136 -1.6173 H 1 UNL11111111 0.1539 29 H 1.2603 -0.0645 1.2698 H 1 UNL11111111 0.1453 30 H -1.1284 1.0895 1.6637 H 1 UNL11111111 0.1737 31 H -1.7229 2.1630 0.4059 H 1 UNL11111111 0.1656 32 H 0.7998 2.2900 0.6889 H 1 UNL11111111 0.1197 33 H -1.4863 -3.3030 0.0959 H 1 UNL11111111 0.1374 34 H -1.6705 -2.5091 -1.4666 H 1 UNL11111111 0.1447 35 H -3.8769 -2.0132 -0.8513 H 1 UNL11111111 0.1520 36 H -3.6034 -2.5455 0.8073 H 1 UNL11111111 0.1435 37 H 0.8871 -3.1510 -0.7787 H 1 UNL11111111 0.1378 38 H 1.4177 -2.5222 0.7837 H 1 UNL11111111 0.1451 39 H -2.4866 1.3152 -1.7816 H 1 UNL11111111 0.1630 40 H -1.0253 0.4012 -2.1868 H 1 UNL11111111 0.1729 41 H -2.5802 -0.4147 -2.1275 H 1 UNL11111111 0.1439 42 H 2.7343 -1.9472 -1.9573 H 1 UNL11111111 0.1606 43 H 3.3798 -2.9949 -0.6913 H 1 UNL11111111 0.1530 44 H 3.0394 1.2556 1.6807 H 1 UNL11111111 0.1430 45 H 2.8591 2.4791 0.4134 H 1 UNL11111111 0.1520 46 H 2.0408 0.3606 -2.4115 H 1 UNL11111111 0.1520 47 H 2.4509 1.9703 -1.8500 H 1 UNL11111111 0.1726 48 H 3.7425 0.8071 -2.1758 H 1 UNL11111111 0.1408 49 H -3.2934 -1.1140 2.3361 H 1 UNL11111111 0.3197 50 H 5.2419 2.3113 1.1699 H 1 UNL11111111 0.1698 51 H 5.1035 1.8807 -0.5357 H 1 UNL11111111 0.1706 52 H -0.4672 2.4061 -1.4738 H 1 UNL11111111 0.3209 53 H 5.2216 -1.9037 0.2900 H 1 UNL11111111 0.1766 54 H -5.7372 -0.4476 1.5451 H 1 UNL11111111 0.1578 55 H -5.9043 -1.0153 -0.1651 H 1 UNL11111111 0.1550 56 H -6.3522 1.6495 -0.0072 H 1 UNL11111111 0.3366 @BOND 1 46 21 1 2 40 17 1 3 48 21 1 4 41 17 1 5 42 19 1 6 47 21 1 7 39 17 1 8 21 12 1 9 17 6 1 10 28 8 1 11 52 2 1 12 34 14 1 13 2 13 1 14 19 43 1 15 19 16 1 16 19 18 1 17 35 15 1 18 37 16 1 19 51 23 1 20 8 16 1 21 8 7 1 22 8 9 1 23 14 15 1 24 14 7 1 25 14 33 1 26 12 18 1 27 12 9 1 28 12 20 1 29 16 38 1 30 18 24 2 31 3 22 2 32 55 26 1 33 6 7 1 34 6 10 1 35 6 11 1 36 56 4 1 37 15 10 1 38 15 36 1 39 13 9 1 40 13 11 1 41 13 32 1 42 7 27 1 43 22 10 1 44 22 26 1 45 9 29 1 46 24 53 1 47 24 25 1 48 4 26 1 49 31 11 1 50 45 20 1 51 10 1 1 52 26 54 1 53 23 20 1 54 23 25 1 55 23 50 1 56 11 30 1 57 20 44 1 58 25 5 2 59 1 49 1