@MOLECULE (5alpha)-17-(cyclopropylmethyl)-14-hydroxy-6-oxo-4,5-epoxymorphinan-3-yl beta-d-glucopyranosiduronic acid 68 74 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.3396 -1.9400 -0.9180 O.3 1 UNL11 -0.2427 2 O -4.6154 -1.7687 0.6231 O.3 1 UNL11 -0.5731 3 O -0.6394 -4.0031 0.7948 O.2 1 UNL11 -0.4250 4 O 2.0894 -0.4028 -1.0699 O.3 1 UNL11 -0.2788 5 O 3.6674 0.9001 -0.1521 O.3 1 UNL11 -0.4342 6 O 4.5181 -0.7312 -2.2489 O.3 1 UNL11 -0.5332 7 O 6.6032 -1.8282 -0.9531 O.3 1 UNL11 -0.5128 8 O 6.9050 0.1045 1.2298 O.3 1 UNL11 -0.5319 9 O 6.3817 2.7750 0.9054 O.3 1 UNL11 -0.6002 10 O 4.3127 3.4488 0.4230 O.2 1 UNL11 -0.4458 11 N -4.7166 0.7936 -0.2590 N.3 1 UNL11 -0.4679 12 C -2.5142 -1.0507 -0.3505 C.3 1 UNL11 -0.0263 13 C -3.4818 -0.9680 0.8471 C.3 1 UNL11 0.2969 14 C -3.9274 0.5362 0.9668 C.3 1 UNL11 -0.0083 15 C -1.6922 -2.3516 -0.5320 C.3 1 UNL11 -0.0331 16 C -3.2818 -0.6860 -1.6289 C.3 1 UNL11 -0.2832 17 C -1.4073 -0.0744 -0.0977 C.ar 1 UNL11 -0.1709 18 C -2.8462 -1.5420 2.1164 C.3 1 UNL11 -0.2957 19 C -2.7537 1.5259 1.2131 C.3 1 UNL11 -0.3286 20 C -3.9044 0.7178 -1.4967 C.3 1 UNL11 -0.1034 21 C -1.4747 1.1432 0.5429 C.ar 1 UNL11 0.0509 22 C -5.5043 2.0459 -0.1893 C.3 1 UNL11 -0.1003 23 C -2.4973 -3.0090 1.8673 C.3 1 UNL11 -0.3626 24 C -1.5239 -3.1883 0.7355 C.2 1 UNL11 0.4418 25 C -0.2010 -0.6375 -0.5294 C.ar 1 UNL11 0.1595 26 C -6.8035 1.8351 -0.9483 C.3 1 UNL11 -0.1464 27 C -7.9568 2.7788 -0.6854 C.3 1 UNL11 -0.3314 28 C -8.0300 1.3493 -0.2058 C.3 1 UNL11 -0.3116 29 C -0.2974 1.9053 0.5961 C.ar 1 UNL11 -0.2221 30 C 0.9601 0.1234 -0.4862 C.ar 1 UNL11 0.0744 31 C 0.8900 1.4133 0.0570 C.ar 1 UNL11 -0.1298 32 C 3.2041 -0.4555 -0.2168 C.3 1 UNL11 0.2338 33 C 4.2663 -1.2700 -0.9743 C.3 1 UNL11 0.0373 34 C 5.5967 -1.2319 -0.1827 C.3 1 UNL11 0.0823 35 C 6.0021 0.2219 0.1547 C.3 1 UNL11 0.0693 36 C 4.7987 1.0512 0.6743 C.3 1 UNL11 -0.0127 37 C 5.0656 2.5429 0.6300 C.2 1 UNL11 0.6132 38 H -4.6337 0.6050 1.8347 H 1 UNL11 0.1468 39 H -2.0313 -2.9843 -1.3764 H 1 UNL11 0.1758 40 H -4.0701 -1.4397 -1.8216 H 1 UNL11 0.1592 41 H -2.6049 -0.7055 -2.5062 H 1 UNL11 0.1577 42 H -3.5550 -1.4621 2.9636 H 1 UNL11 0.1595 43 H -1.9486 -0.9611 2.3992 H 1 UNL11 0.1555 44 H -3.0643 2.5441 0.9006 H 1 UNL11 0.1618 45 H -2.5726 1.5994 2.3076 H 1 UNL11 0.1622 46 H -3.1041 1.4905 -1.5273 H 1 UNL11 0.1336 47 H -4.5733 0.9093 -2.3639 H 1 UNL11 0.1399 48 H -5.7184 2.3002 0.8723 H 1 UNL11 0.1391 49 H -4.9597 2.9190 -0.6144 H 1 UNL11 0.1277 50 H -2.0948 -3.4763 2.7896 H 1 UNL11 0.1708 51 H -3.4282 -3.5780 1.6279 H 1 UNL11 0.1951 52 H -6.6466 1.4711 -1.9692 H 1 UNL11 0.1587 53 H -5.2733 -1.2870 0.0605 H 1 UNL11 0.3548 54 H -8.7050 0.6491 -0.6888 H 1 UNL11 0.1564 55 H -7.8491 3.5837 0.0345 H 1 UNL11 0.1544 56 H -8.5826 3.1033 -1.5117 H 1 UNL11 0.1575 57 H -7.9671 1.1291 0.8554 H 1 UNL11 0.1565 58 H -0.3082 2.8875 1.0617 H 1 UNL11 0.1629 59 H 1.7911 2.0374 0.0710 H 1 UNL11 0.1944 60 H 2.9507 -0.8236 0.7954 H 1 UNL11 0.1357 61 H 3.9371 -2.3141 -1.1832 H 1 UNL11 0.1799 62 H 5.5731 -1.8588 0.7391 H 1 UNL11 0.1694 63 H 6.4986 0.7040 -0.7135 H 1 UNL11 0.1454 64 H 4.5508 0.7544 1.7256 H 1 UNL11 0.1717 65 H 4.2727 0.2246 -2.2754 H 1 UNL11 0.3396 66 H 6.5325 -1.5338 -1.8939 H 1 UNL11 0.3295 67 H 7.3473 0.9687 1.3914 H 1 UNL11 0.3328 68 H 6.6273 3.7318 0.9266 H 1 UNL11 0.3684 @BOND 1 1 15 1 2 1 25 1 3 2 13 1 4 2 53 1 5 3 24 2 6 4 30 1 7 4 32 1 8 5 32 1 9 5 36 1 10 6 33 1 11 6 65 1 12 7 34 1 13 7 66 1 14 8 35 1 15 8 67 1 16 9 37 1 17 9 68 1 18 10 37 2 19 11 14 1 20 11 20 1 21 11 22 1 22 12 13 1 23 12 16 1 24 12 17 1 25 13 14 1 26 13 18 1 27 14 19 1 28 14 38 1 29 15 12 1 30 15 24 1 31 15 39 1 32 16 20 1 33 16 40 1 34 16 41 1 35 17 21 ar 36 17 25 ar 37 18 23 1 38 18 42 1 39 18 43 1 40 19 21 1 41 19 44 1 42 19 45 1 43 20 46 1 44 20 47 1 45 21 29 ar 46 22 26 1 47 22 48 1 48 22 49 1 49 23 24 1 50 23 50 1 51 23 51 1 52 25 30 ar 53 26 27 1 54 26 28 1 55 26 52 1 56 27 28 1 57 27 55 1 58 27 56 1 59 28 54 1 60 28 57 1 61 29 31 ar 62 29 58 1 63 30 31 ar 64 31 59 1 65 32 33 1 66 32 60 1 67 33 34 1 68 33 61 1 69 34 35 1 70 34 62 1 71 35 36 1 72 35 63 1 73 36 37 1 74 36 64 1