@MOLECULE 14-benzyl-17-(cyclopropylmethyl)-3-hydroxymorphinan-6-one 61 66 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.8858 3.3765 0.9898 O.2 1 UNL1111111111 -0.4644 2 O 5.7317 -0.6707 0.0480 O.3 1 UNL1111111111 -0.4680 3 N -1.0387 -1.5108 0.2430 N.3 1 UNL1111111111 -0.4539 4 C -0.1800 0.7952 0.1035 C.3 1 UNL1111111111 0.0551 5 C 1.0786 0.3503 0.9098 C.3 1 UNL1111111111 0.0558 6 C -0.6519 -0.4460 -0.7111 C.3 1 UNL1111111111 0.0337 7 C 0.7080 -0.8153 1.8567 C.3 1 UNL1111111111 -0.2924 8 C 0.2135 1.9450 -0.8462 C.3 1 UNL1111111111 -0.2922 9 C 1.5900 1.5399 1.7416 C.3 1 UNL1111111111 -0.4087 10 C 2.1541 -0.1876 -0.0176 C.ar 1 UNL1111111111 0.0323 11 C 0.4154 -0.8647 -1.7469 C.3 1 UNL1111111111 -0.3274 12 C 0.0906 -1.9874 1.0734 C.3 1 UNL1111111111 -0.1029 13 C -1.3298 1.2559 1.0388 C.3 1 UNL1111111111 -0.3066 14 C -1.7231 -2.6419 -0.4298 C.3 1 UNL1111111111 -0.1058 15 C 1.8228 -0.7789 -1.2464 C.ar 1 UNL1111111111 -0.0710 16 C 0.7952 3.1490 -0.1043 C.3 1 UNL1111111111 -0.3721 17 C -2.5441 -3.3932 0.6040 C.3 1 UNL1111111111 -0.1375 18 C 1.8696 2.7402 0.8707 C.2 1 UNL1111111111 0.4980 19 C -3.3098 -4.6216 0.1656 C.3 1 UNL1111111111 -0.3324 20 C -2.1058 -4.7665 1.0663 C.3 1 UNL1111111111 -0.3333 21 C 3.4871 -0.1687 0.3882 C.ar 1 UNL1111111111 -0.2633 22 C -2.5885 1.6114 0.3059 C.ar 1 UNL1111111111 0.0303 23 C 2.8229 -1.3124 -2.0639 C.ar 1 UNL1111111111 -0.1084 24 C 4.4648 -0.7196 -0.4425 C.ar 1 UNL1111111111 0.2888 25 C 4.1582 -1.2908 -1.6764 C.ar 1 UNL1111111111 -0.3035 26 C -2.8131 2.9146 -0.1428 C.ar 1 UNL1111111111 -0.1856 27 C -3.5647 0.6339 0.0906 C.ar 1 UNL1111111111 -0.1783 28 C -3.9876 3.2290 -0.8233 C.ar 1 UNL1111111111 -0.1429 29 C -4.7369 0.9489 -0.5897 C.ar 1 UNL1111111111 -0.1381 30 C -4.9490 2.2472 -1.0521 C.ar 1 UNL1111111111 -0.1717 31 H -1.5839 -0.1624 -1.2726 H 1 UNL1111111111 0.1466 32 H -0.0008 -0.4692 2.6313 H 1 UNL1111111111 0.1514 33 H 1.6070 -1.1678 2.3957 H 1 UNL1111111111 0.1467 34 H -0.6669 2.2557 -1.4413 H 1 UNL1111111111 0.1524 35 H 0.9608 1.5931 -1.5863 H 1 UNL1111111111 0.1586 36 H 2.4986 1.2658 2.3167 H 1 UNL1111111111 0.1763 37 H 0.8472 1.8196 2.5163 H 1 UNL1111111111 0.1720 38 H 0.3064 -0.2309 -2.6537 H 1 UNL1111111111 0.1571 39 H 0.2010 -1.8960 -2.0947 H 1 UNL1111111111 0.1515 40 H 0.8744 -2.4986 0.4727 H 1 UNL1111111111 0.1255 41 H -0.3099 -2.7411 1.7882 H 1 UNL1111111111 0.1420 42 H -0.9950 2.1121 1.6546 H 1 UNL1111111111 0.1453 43 H -1.5515 0.4358 1.7606 H 1 UNL1111111111 0.1757 44 H -2.4119 -2.2348 -1.2061 H 1 UNL1111111111 0.1444 45 H -1.0197 -3.3248 -0.9535 H 1 UNL1111111111 0.1212 46 H 0.0041 3.6983 0.4453 H 1 UNL1111111111 0.1638 47 H 1.2070 3.8792 -0.8334 H 1 UNL1111111111 0.1721 48 H -3.0032 -2.7196 1.3389 H 1 UNL1111111111 0.1698 49 H -3.2536 -4.9587 -0.8645 H 1 UNL1111111111 0.1541 50 H -4.3043 -4.8043 0.5607 H 1 UNL1111111111 0.1554 51 H -2.2415 -5.0520 2.1049 H 1 UNL1111111111 0.1546 52 H -1.1935 -5.2070 0.6769 H 1 UNL1111111111 0.1549 53 H 3.7985 0.2718 1.3346 H 1 UNL1111111111 0.1842 54 H 2.5546 -1.7575 -3.0219 H 1 UNL1111111111 0.1508 55 H 4.9294 -1.7070 -2.3134 H 1 UNL1111111111 0.1603 56 H -2.0737 3.6909 0.0393 H 1 UNL1111111111 0.1498 57 H -3.3976 -0.3816 0.4563 H 1 UNL1111111111 0.1715 58 H -4.1546 4.2447 -1.1749 H 1 UNL1111111111 0.1436 59 H -5.4894 0.1817 -0.7583 H 1 UNL1111111111 0.1459 60 H 6.3911 -1.0311 -0.5911 H 1 UNL1111111111 0.3243 61 H -5.8636 2.4936 -1.5848 H 1 UNL1111111111 0.1447 @BOND 1 1 18 2 2 2 24 1 3 2 60 1 4 3 6 1 5 3 12 1 6 3 14 1 7 4 5 1 8 4 6 1 9 4 8 1 10 4 13 1 11 5 7 1 12 5 9 1 13 5 10 1 14 6 11 1 15 6 31 1 16 7 12 1 17 7 32 1 18 7 33 1 19 8 16 1 20 8 34 1 21 8 35 1 22 9 18 1 23 9 36 1 24 9 37 1 25 10 15 ar 26 10 21 ar 27 11 15 1 28 11 38 1 29 11 39 1 30 12 40 1 31 12 41 1 32 13 22 1 33 13 42 1 34 13 43 1 35 14 17 1 36 14 44 1 37 14 45 1 38 15 23 ar 39 16 18 1 40 16 46 1 41 16 47 1 42 17 19 1 43 17 20 1 44 17 48 1 45 19 20 1 46 19 49 1 47 19 50 1 48 20 51 1 49 20 52 1 50 21 24 ar 51 21 53 1 52 22 26 ar 53 22 27 ar 54 23 25 ar 55 23 54 1 56 24 25 ar 57 25 55 1 58 26 28 ar 59 26 56 1 60 27 29 ar 61 27 57 1 62 28 30 ar 63 28 58 1 64 29 30 ar 65 29 59 1 66 30 61 1