@MOLECULE (5alpha,6e)-17-(cyclopropylmethyl)-6-[(3-phenylpropoxy)imino]-4,5-epoxymorphinan-3,14-diol 69 75 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.1149 0.0733 -0.7509 C.3 1 UNL1 -0.0397 2 C 0.8345 -0.1352 -1.6125 C.3 1 UNL1 0.0990 3 C 2.1521 1.2696 0.2195 C.3 1 UNL1 0.3018 4 C 3.3928 1.0478 1.1635 C.3 1 UNL1 -0.0102 5 C 2.4486 -2.6632 1.8896 C.ar 1 UNL1 -0.1774 6 C 1.6678 -3.6273 1.2523 C.ar 1 UNL1 -0.1798 7 C -8.0705 1.2761 -0.5660 C.ar 1 UNL1 -0.1791 8 C -7.7405 -0.3332 1.2061 C.ar 1 UNL1 -0.1785 9 C -9.1159 1.8508 0.1525 C.ar 1 UNL1 -0.1362 10 C -8.7862 0.2443 1.9225 C.ar 1 UNL1 -0.1363 11 C -9.4753 1.3359 1.3970 C.ar 1 UNL1 -0.1655 12 C 5.8427 1.2722 1.0312 C.3 1 UNL1 -0.1023 13 C -3.7841 -0.3044 -1.2539 C.3 1 UNL1 -0.0619 14 C -4.9420 0.3132 -0.4708 C.3 1 UNL1 -0.2922 15 C -6.2445 -0.4258 -0.8068 C.3 1 UNL1 -0.2830 16 H 3.2714 2.6139 -0.7107 H 1 UNL1 0.3491 17 H -0.3067 -3.9231 -1.2471 H 1 UNL1 0.3381 18 C 1.0190 -3.3421 0.0409 C.ar 1 UNL1 0.1917 19 C -7.3799 0.1817 -0.0408 C.ar 1 UNL1 0.0194 20 C 0.8196 1.4327 0.9533 C.3 1 UNL1 -0.3001 21 C -0.2901 1.6382 -0.0832 C.3 1 UNL1 -0.2848 22 C 8.3319 1.9318 0.6399 C.3 1 UNL1 -0.3274 23 C 7.9883 0.9448 -0.4495 C.3 1 UNL1 -0.3277 24 O 2.3192 2.4760 -0.4838 O.3 1 UNL1 -0.5696 25 O 0.2173 -4.3004 -0.4902 O.3 1 UNL1 -0.4521 26 O -2.6520 0.4912 -0.8386 O.2 1 UNL1 -0.1924 27 C 6.9138 1.8463 0.1209 C.3 1 UNL1 -0.1484 28 C -0.4192 0.4698 -1.0125 C.2 1 UNL1 0.0712 29 C 1.2280 -2.0959 -0.5365 C.ar 1 UNL1 0.0720 30 O 0.6294 -1.5879 -1.6606 O.3 1 UNL1 -0.2999 31 N -1.5249 -0.0801 -1.3954 N.2 1 UNL1 -0.2197 32 C 3.3760 0.1075 -1.6239 C.3 1 UNL1 -0.2833 33 C 3.3165 -0.2565 2.0069 C.3 1 UNL1 -0.3196 34 C 4.6373 0.0757 -0.7388 C.3 1 UNL1 -0.1068 35 C 2.6391 -1.3962 1.3187 C.ar 1 UNL1 -0.0026 36 N 4.5743 1.1576 0.2737 N.3 1 UNL1 -0.4645 37 C 2.0735 -1.1738 0.0806 C.ar 1 UNL1 -0.1106 38 H 0.9572 0.1451 -2.6773 H 1 UNL1 0.1664 39 H 3.4325 1.9190 1.8683 H 1 UNL1 0.1471 40 H 3.3915 -0.7568 -2.3155 H 1 UNL1 0.1550 41 H 3.3715 1.0173 -2.2554 H 1 UNL1 0.1583 42 H 0.6102 0.5471 1.5821 H 1 UNL1 0.1589 43 H 0.8654 2.3059 1.6321 H 1 UNL1 0.1584 44 H 4.3385 -0.5501 2.3207 H 1 UNL1 0.1557 45 H 2.7726 -0.0365 2.9513 H 1 UNL1 0.1607 46 H -1.2506 1.8424 0.4351 H 1 UNL1 0.1632 47 H -0.0728 2.5550 -0.6822 H 1 UNL1 0.1832 48 H 4.7500 -0.9297 -0.2771 H 1 UNL1 0.1310 49 H 5.5377 0.2469 -1.3697 H 1 UNL1 0.1457 50 H 2.9005 -2.8927 2.8514 H 1 UNL1 0.1558 51 H 1.5231 -4.6087 1.7015 H 1 UNL1 0.1724 52 H 6.1704 0.3049 1.4707 H 1 UNL1 0.1223 53 H 5.6860 1.9746 1.8831 H 1 UNL1 0.1443 54 H 6.5318 2.6608 -0.5070 H 1 UNL1 0.1694 55 H 8.5695 1.5722 1.6361 H 1 UNL1 0.1548 56 H 8.9365 2.8036 0.4078 H 1 UNL1 0.1573 57 H 8.3474 1.1117 -1.4606 H 1 UNL1 0.1569 58 H 7.9815 -0.1181 -0.2292 H 1 UNL1 0.1558 59 H -3.6115 -1.3627 -0.9956 H 1 UNL1 0.1393 60 H -3.9049 -0.2118 -2.3457 H 1 UNL1 0.1343 61 H -4.7398 0.2650 0.6174 H 1 UNL1 0.1563 62 H -5.0365 1.3912 -0.7065 H 1 UNL1 0.1545 63 H -6.4393 -0.3814 -1.8981 H 1 UNL1 0.1512 64 H -6.1425 -1.5053 -0.5723 H 1 UNL1 0.1519 65 H -7.7904 1.6818 -1.5356 H 1 UNL1 0.1525 66 H -7.2033 -1.1836 1.6203 H 1 UNL1 0.1529 67 H -9.6528 2.7034 -0.2584 H 1 UNL1 0.1475 68 H -9.0653 -0.1578 2.8944 H 1 UNL1 0.1474 69 H -10.2918 1.7854 1.9570 H 1 UNL1 0.1486 @BOND 1 38 2 1 2 60 13 1 3 40 32 1 4 41 32 1 5 63 15 1 6 30 2 1 7 30 29 1 8 32 1 1 9 32 34 1 10 2 28 1 11 2 1 1 12 65 7 1 13 57 23 1 14 31 28 2 15 31 26 1 16 49 34 1 17 13 59 1 18 13 26 1 19 13 14 1 20 17 25 1 21 28 21 1 22 15 64 1 23 15 14 1 24 15 19 1 25 1 37 1 26 1 3 1 27 34 48 1 28 34 36 1 29 16 24 1 30 62 14 1 31 47 21 1 32 7 19 ar 33 7 9 ar 34 29 18 ar 35 29 37 ar 36 54 27 1 37 25 18 1 38 24 3 1 39 14 61 1 40 23 58 1 41 23 27 1 42 23 22 1 43 67 9 1 44 21 46 1 45 21 20 1 46 19 8 ar 47 18 6 ar 48 37 35 ar 49 27 22 1 50 27 12 1 51 9 11 ar 52 3 20 1 53 3 4 1 54 36 12 1 55 36 4 1 56 56 22 1 57 22 55 1 58 20 42 1 59 20 43 1 60 12 52 1 61 12 53 1 62 4 39 1 63 4 33 1 64 8 66 1 65 8 10 ar 66 6 51 1 67 6 5 ar 68 35 5 ar 69 35 33 1 70 11 10 ar 71 11 69 1 72 5 50 1 73 10 68 1 74 33 44 1 75 33 45 1