@MOLECULE (5alpha,17s)-17-allyl-3,14-dihydroxy-17-methyl-6-oxo-4,5-epoxymorphinan-17-ium 49 53 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.3572 1.4722 -1.1804 O.3 1 UNL1111 -0.4866 2 O 2.3237 -0.7107 -1.3454 O.3 1 UNL1111 -0.3041 3 O 2.6546 -3.2263 -0.1734 O.2 1 UNL1111 -0.4311 4 O -1.5835 -1.9021 0.7624 O.3 1 UNL1111 -0.6360 5 N -2.4296 0.7921 0.2307 N.4 1 UNL1111 -0.0051 6 C 1.6213 2.6997 0.9170 C.ar 1 UNL1111 -0.1300 7 C 2.8192 2.6610 0.1811 C.ar 1 UNL1111 -0.3304 8 C 3.1184 1.5183 -0.6030 C.ar 1 UNL1111 0.2242 9 C 2.1769 0.5344 -0.7416 C.ar 1 UNL1111 0.0097 10 C 1.2056 -1.5196 -0.9176 C.3 1 UNL1111 -0.0041 11 C 1.7539 -2.4840 0.1271 C.2 1 UNL1111 0.4412 12 C 1.1457 -2.5835 1.5105 C.3 1 UNL1111 -0.3731 13 C 0.4043 -1.3320 1.9699 C.3 1 UNL1111 -0.3189 14 C -1.4379 0.3725 1.3469 C.3 1 UNL1111 -0.0197 15 C -0.4840 1.5267 1.7409 C.3 1 UNL1111 -0.2830 16 C 0.6819 1.6856 0.8110 C.ar 1 UNL1111 -0.1230 17 C 0.9168 0.6546 -0.1115 C.ar 1 UNL1111 -0.3791 18 C 0.1076 -0.5472 -0.4060 C.3 1 UNL1111 0.0105 19 C -0.6058 -0.8854 0.9077 C.3 1 UNL1111 0.2866 20 C -0.9339 -0.2640 -1.5053 C.3 1 UNL1111 -0.3033 21 C -1.7288 0.9790 -1.1052 C.3 1 UNL1111 -0.1573 22 C -3.5267 -0.2519 0.0968 C.3 1 UNL1111 -0.1917 23 C -4.5949 0.1227 -0.8861 C.2 1 UNL1111 -0.1965 24 C -4.7439 -0.5231 -2.0423 C.2 1 UNL1111 -0.2438 25 C -3.0789 2.0989 0.6061 C.3 1 UNL1111 -0.3497 26 H 4.5180 0.5716 -1.5524 H 1 UNL1111 0.3203 27 H -1.1753 -2.7568 0.5284 H 1 UNL1111 0.3439 28 H 1.4548 3.5298 1.5945 H 1 UNL1111 0.1192 29 H 3.5406 3.4582 0.2439 H 1 UNL1111 0.1532 30 H 0.9146 -2.0741 -1.8326 H 1 UNL1111 0.1522 31 H 0.4890 -3.4761 1.5479 H 1 UNL1111 0.1561 32 H 1.9634 -2.8116 2.2336 H 1 UNL1111 0.1855 33 H -0.0962 -1.5125 2.9363 H 1 UNL1111 0.1459 34 H 1.1445 -0.5104 2.1380 H 1 UNL1111 0.2043 35 H -2.0675 0.0889 2.2255 H 1 UNL1111 0.1446 36 H -1.0142 2.4848 1.8747 H 1 UNL1111 0.1357 37 H -0.0812 1.2935 2.7560 H 1 UNL1111 0.1621 38 H -0.3986 -0.0504 -2.4591 H 1 UNL1111 0.1832 39 H -1.5733 -1.1381 -1.6919 H 1 UNL1111 0.1359 40 H -2.4781 1.2463 -1.8749 H 1 UNL1111 0.1454 41 H -1.0029 1.8381 -1.0058 H 1 UNL1111 0.2197 42 H -3.0540 -1.2255 -0.2143 H 1 UNL1111 0.2230 43 H -3.9662 -0.4517 1.0994 H 1 UNL1111 0.1662 44 H -5.2749 0.9140 -0.5756 H 1 UNL1111 0.1511 45 H -4.1027 -1.3305 -2.3756 H 1 UNL1111 0.1569 46 H -5.5290 -0.3017 -2.7538 H 1 UNL1111 0.1543 47 H -2.3253 2.9107 0.6605 H 1 UNL1111 0.1965 48 H -3.8225 2.4089 -0.1470 H 1 UNL1111 0.1711 49 H -3.5859 2.0263 1.5822 H 1 UNL1111 0.1681 @BOND 1 1 8 1 2 1 26 1 3 2 9 1 4 2 10 1 5 3 11 2 6 4 19 1 7 4 27 1 8 5 14 1 9 5 21 1 10 5 22 1 11 5 25 1 12 6 7 ar 13 6 16 ar 14 6 28 1 15 7 8 ar 16 7 29 1 17 8 9 ar 18 9 17 ar 19 10 11 1 20 10 18 1 21 10 30 1 22 11 12 1 23 12 13 1 24 12 31 1 25 12 32 1 26 13 19 1 27 13 33 1 28 13 34 1 29 14 15 1 30 14 19 1 31 14 35 1 32 15 16 1 33 15 36 1 34 15 37 1 35 16 17 ar 36 17 18 1 37 18 19 1 38 18 20 1 39 20 21 1 40 20 38 1 41 20 39 1 42 21 40 1 43 21 41 1 44 22 23 1 45 22 42 1 46 22 43 1 47 23 24 2 48 23 44 1 49 24 45 1 50 24 46 1 51 25 47 1 52 25 48 1 53 25 49 1