@MOLECULE (5beta,6e)-17-(cyclopropylmethyl)-6-{(2e)-[(3beta,20e)-3-hydroxypregn-5-en-20-ylidene]hydrazono}-4,5-epoxymorphinan-3,14-diol 103 112 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 3.2020 2.3681 -0.6973 O.3 1 UNL1 -0.2806 2 O 4.4978 -0.0275 1.7113 O.3 1 UNL1 -0.5765 3 O -12.0129 -0.2042 -0.8157 O.3 1 UNL1 -0.5750 4 O 4.0623 5.1131 0.0652 O.3 1 UNL1 -0.4482 5 N 6.7950 -1.5216 -0.6856 N.3 1 UNL1 -0.4446 6 N -0.0540 0.1754 0.3762 N.2 1 UNL1 -0.2519 7 N 1.0005 0.7262 -0.2717 N.2 1 UNL1 -0.2228 8 C -3.4392 -0.3102 0.0542 C.3 1 UNL1 0.0868 9 C -4.3924 -0.8654 1.1499 C.3 1 UNL1 -0.1437 10 C -5.7679 -0.1967 1.1008 C.3 1 UNL1 -0.1137 11 C -6.3893 -0.4960 -0.2856 C.3 1 UNL1 -0.1347 12 C -2.1306 -1.0734 0.4371 C.3 1 UNL1 -0.1561 13 C -7.7930 0.1682 -0.4249 C.3 1 UNL1 0.0630 14 C -4.0411 -0.6765 -1.3067 C.3 1 UNL1 -0.3017 15 C -5.4491 -0.0702 -1.4295 C.3 1 UNL1 -0.2748 16 C -3.5673 -0.7495 2.4409 C.3 1 UNL1 -0.2773 17 C 4.6918 0.4505 -0.7222 C.3 1 UNL1 -0.0520 18 C -2.1050 -0.9829 1.9873 C.3 1 UNL1 -0.2656 19 C 4.8688 -0.5413 0.4492 C.3 1 UNL1 0.3068 20 C -6.6659 -0.7731 2.2091 C.3 1 UNL1 -0.2860 21 C 6.4042 -0.8282 0.5559 C.3 1 UNL1 0.0097 22 C -8.6363 -0.1638 0.7849 C.2 1 UNL1 -0.0133 23 C -3.2004 1.1985 0.1397 C.3 1 UNL1 -0.4588 24 C 3.2440 0.9360 -0.9989 C.3 1 UNL1 0.0760 25 C -8.4394 -0.3922 -1.7186 C.3 1 UNL1 -0.2886 26 C 5.2817 -0.1099 -2.0224 C.3 1 UNL1 -0.2730 27 C 5.3580 1.6888 -0.2374 C.ar 1 UNL1 -0.1384 28 C 3.8982 -1.7029 0.2542 C.3 1 UNL1 -0.2850 29 C -8.1178 -0.5582 1.9543 C.2 1 UNL1 -0.2036 30 C -7.6957 1.7018 -0.5069 C.3 1 UNL1 -0.4522 31 C -0.9054 -0.5623 -0.2643 C.2 1 UNL1 0.1754 32 C 7.2187 0.4821 0.8615 C.3 1 UNL1 -0.3218 33 C 6.7253 -0.6126 -1.8532 C.3 1 UNL1 -0.1028 34 C -10.1166 0.0440 0.6640 C.3 1 UNL1 -0.3522 35 C 6.5537 1.7605 0.4545 C.ar 1 UNL1 0.0084 36 C -9.9217 -0.0476 -1.8444 C.3 1 UNL1 -0.2988 37 C 2.1768 0.1830 -0.2403 C.2 1 UNL1 0.1164 38 C 2.4735 -1.1485 0.4059 C.3 1 UNL1 -0.2960 39 C -10.6618 -0.5938 -0.6218 C.3 1 UNL1 0.1761 40 C 8.1213 -2.1765 -0.5890 C.3 1 UNL1 -0.1058 41 C 4.4555 2.7470 -0.3023 C.ar 1 UNL1 0.0739 42 C 7.9958 -3.4768 0.1879 C.3 1 UNL1 -0.1345 43 C 9.2619 -4.2506 0.4885 C.3 1 UNL1 -0.3397 44 C 8.2623 -4.7977 -0.5024 C.3 1 UNL1 -0.3204 45 C -0.7373 -0.9941 -1.6944 C.3 1 UNL1 -0.4960 46 C 6.9615 3.0367 0.8664 C.ar 1 UNL1 -0.1869 47 C 4.8497 4.0099 0.1305 C.ar 1 UNL1 0.1872 48 C 6.1352 4.1472 0.6758 C.ar 1 UNL1 -0.1729 49 H 4.5895 0.9423 1.7812 H 1 UNL1 0.3343 50 H -12.5662 -0.4695 -0.0604 H 1 UNL1 0.3127 51 H 3.1289 4.8571 -0.1740 H 1 UNL1 0.3403 52 H -4.5472 -1.9571 0.9471 H 1 UNL1 0.1339 53 H -5.6724 0.9022 1.2406 H 1 UNL1 0.1453 54 H -6.5359 -1.6029 -0.3495 H 1 UNL1 0.1373 55 H -2.2492 -2.1495 0.1553 H 1 UNL1 0.1438 56 H -4.0890 -1.7726 -1.4310 H 1 UNL1 0.1335 57 H -3.4070 -0.2970 -2.1282 H 1 UNL1 0.1393 58 H -5.3672 1.0335 -1.4590 H 1 UNL1 0.1466 59 H -5.8840 -0.3681 -2.4016 H 1 UNL1 0.1326 60 H -3.8814 -1.4851 3.1947 H 1 UNL1 0.1305 61 H -3.6818 0.2450 2.9003 H 1 UNL1 0.1428 62 H -1.4561 -0.1532 2.3234 H 1 UNL1 0.1681 63 H -1.6841 -1.8981 2.4252 H 1 UNL1 0.1315 64 H -6.3773 -0.3243 3.1826 H 1 UNL1 0.1464 65 H -6.4803 -1.8637 2.3218 H 1 UNL1 0.1480 66 H 6.5554 -1.5295 1.4154 H 1 UNL1 0.1528 67 H -2.6890 1.4743 1.0718 H 1 UNL1 0.1630 68 H -4.1342 1.7678 0.0968 H 1 UNL1 0.1460 69 H -2.5599 1.5448 -0.6808 H 1 UNL1 0.1508 70 H 2.9940 0.9208 -2.0882 H 1 UNL1 0.1597 71 H -8.3125 -1.4921 -1.7458 H 1 UNL1 0.1395 72 H -7.8971 -0.0019 -2.6007 H 1 UNL1 0.1421 73 H 5.2654 0.6712 -2.8088 H 1 UNL1 0.1500 74 H 4.6464 -0.9430 -2.3860 H 1 UNL1 0.1539 75 H 4.0788 -2.4902 1.0108 H 1 UNL1 0.1591 76 H 4.0628 -2.1868 -0.7250 H 1 UNL1 0.1603 77 H -8.7532 -0.7636 2.8148 H 1 UNL1 0.1424 78 H -7.1512 2.1089 0.3527 H 1 UNL1 0.1498 79 H -8.6913 2.1612 -0.5095 H 1 UNL1 0.1495 80 H -7.1863 2.0300 -1.4177 H 1 UNL1 0.1452 81 H 8.2221 0.4050 0.4008 H 1 UNL1 0.1542 82 H 7.3992 0.5169 1.9576 H 1 UNL1 0.1641 83 H 7.0203 -1.1843 -2.7603 H 1 UNL1 0.1359 84 H 7.4195 0.2523 -1.7700 H 1 UNL1 0.1261 85 H -10.3393 1.1337 0.6545 H 1 UNL1 0.1678 86 H -10.6550 -0.3540 1.5443 H 1 UNL1 0.1427 87 H -10.3518 -0.4720 -2.7706 H 1 UNL1 0.1499 88 H -10.0757 1.0455 -1.9234 H 1 UNL1 0.1570 89 H 2.2685 -1.0232 1.5025 H 1 UNL1 0.1932 90 H 1.7438 -1.9052 0.0529 H 1 UNL1 0.1488 91 H -10.6274 -1.7037 -0.5777 H 1 UNL1 0.1137 92 H 8.8868 -1.5275 -0.1066 H 1 UNL1 0.1222 93 H 8.4933 -2.3867 -1.6169 H 1 UNL1 0.1407 94 H 7.2028 -3.4534 0.9447 H 1 UNL1 0.1657 95 H 9.3820 -4.7296 1.4549 H 1 UNL1 0.1564 96 H 10.2200 -3.8835 0.1349 H 1 UNL1 0.1535 97 H 8.5050 -4.8207 -1.5596 H 1 UNL1 0.1529 98 H 7.6669 -5.6680 -0.2415 H 1 UNL1 0.1549 99 H 0.1640 -1.6113 -1.8249 H 1 UNL1 0.1628 100 H -0.6199 -0.1153 -2.3519 H 1 UNL1 0.1781 101 H -1.5873 -1.5777 -2.0689 H 1 UNL1 0.1615 102 H 7.9189 3.1636 1.3661 H 1 UNL1 0.1588 103 H 6.4636 5.1370 0.9905 H 1 UNL1 0.1743 @BOND 1 73 26 1 2 87 36 1 3 83 33 1 4 72 25 1 5 59 15 1 6 74 26 1 7 100 45 1 8 57 14 1 9 70 24 1 10 101 45 1 11 26 33 1 12 26 17 1 13 88 36 1 14 33 84 1 15 33 5 1 16 36 25 1 17 36 39 1 18 99 45 1 19 71 25 1 20 25 13 1 21 45 31 1 22 93 40 1 23 97 44 1 24 58 15 1 25 56 14 1 26 15 14 1 27 15 11 1 28 80 30 1 29 14 8 1 30 24 17 1 31 24 1 1 32 24 37 1 33 3 39 1 34 3 50 1 35 76 28 1 36 17 27 1 37 17 19 1 38 1 41 1 39 5 40 1 40 5 21 1 41 69 23 1 42 39 91 1 43 39 34 1 44 40 92 1 45 40 42 1 46 79 30 1 47 30 13 1 48 30 78 1 49 44 98 1 50 44 42 1 51 44 43 1 52 13 11 1 53 13 22 1 54 54 11 1 55 41 27 ar 56 41 47 ar 57 11 10 1 58 7 37 2 59 7 6 1 60 31 6 2 61 31 12 1 62 37 38 1 63 27 35 ar 64 51 4 1 65 90 38 1 66 8 23 1 67 8 12 1 68 8 9 1 69 4 47 1 70 68 23 1 71 47 48 ar 72 96 43 1 73 23 67 1 74 55 12 1 75 42 43 1 76 42 94 1 77 28 38 1 78 28 19 1 79 28 75 1 80 81 32 1 81 38 89 1 82 12 18 1 83 19 21 1 84 19 2 1 85 35 32 1 86 35 46 ar 87 43 95 1 88 21 32 1 89 21 66 1 90 85 34 1 91 34 22 1 92 34 86 1 93 48 46 ar 94 48 103 1 95 22 29 2 96 32 82 1 97 46 102 1 98 52 9 1 99 10 9 1 100 10 53 1 101 10 20 1 102 9 16 1 103 2 49 1 104 29 20 1 105 29 77 1 106 18 62 1 107 18 63 1 108 18 16 1 109 20 65 1 110 20 64 1 111 16 61 1 112 16 60 1