@MOLECULE hydroxycodeinone 42 46 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.8861 -0.7770 0.8998 O.3 1 UNL1111111111 -0.2856 2 O 2.4298 -1.9153 -0.0711 O.3 1 UNL1111111111 -0.4943 3 O -1.3689 -3.5828 -0.1605 O.2 1 UNL1111111111 -0.4010 4 O -3.8712 1.4243 0.1654 O.3 1 UNL1111111111 -0.2927 5 N 3.1385 0.6344 0.5945 N.3 1 UNL1111111111 -0.4037 6 C 0.5068 -0.5487 0.6127 C.3 1 UNL1111111111 -0.0418 7 C 1.5459 -0.8988 -0.4778 C.3 1 UNL1111111111 0.2438 8 C 2.4456 0.3686 -0.6815 C.3 1 UNL1111111111 0.0436 9 C 1.2445 -0.2323 1.9141 C.3 1 UNL1111111111 -0.2766 10 C -0.6556 -1.5508 0.8368 C.3 1 UNL1111111111 -0.0301 11 C -0.2568 0.6249 0.0721 C.ar 1 UNL1111111111 -0.1086 12 C 1.6198 1.5709 -1.2382 C.3 1 UNL1111111111 -0.3332 13 C 2.2132 0.9475 1.7071 C.3 1 UNL1111111111 -0.1024 14 C 0.2202 1.6467 -0.7234 C.ar 1 UNL1111111111 -0.0029 15 C 0.8442 -1.3711 -1.7289 C.2 1 UNL1111111111 -0.1262 16 C -1.6172 0.4499 0.3321 C.ar 1 UNL1111111111 0.0722 17 C -0.8186 -2.5259 -0.3343 C.2 1 UNL1111111111 0.4216 18 C -0.2496 -2.1333 -1.6398 C.2 1 UNL1111111111 -0.2707 19 C 4.1760 1.6755 0.4610 C.3 1 UNL1111111111 -0.2744 20 C -0.6968 2.6380 -1.1043 C.ar 1 UNL1111111111 -0.1703 21 C -2.5318 1.4222 -0.0504 C.ar 1 UNL1111111111 0.1587 22 C -2.0393 2.5411 -0.7506 C.ar 1 UNL1111111111 -0.1843 23 C -4.3898 0.2512 0.7867 C.3 1 UNL1111111111 -0.2024 24 H 3.2402 0.0994 -1.4273 H 1 UNL1111111111 0.1519 25 H 1.8226 -1.1241 2.2372 H 1 UNL1111111111 0.1690 26 H 0.5311 0.0101 2.7229 H 1 UNL1111111111 0.1491 27 H -0.6250 -2.0786 1.8100 H 1 UNL1111111111 0.1749 28 H 1.5869 1.4984 -2.3463 H 1 UNL1111111111 0.1588 29 H 2.1632 2.5134 -1.0253 H 1 UNL1111111111 0.1605 30 H 1.6410 1.8866 1.5437 H 1 UNL1111111111 0.1245 31 H 2.8229 1.0895 2.6260 H 1 UNL1111111111 0.1389 32 H 1.2944 -1.0831 -2.6749 H 1 UNL1111111111 0.1632 33 H 1.9414 -2.7506 0.0925 H 1 UNL1111111111 0.3053 34 H -0.7779 -2.5239 -2.5101 H 1 UNL1111111111 0.1845 35 H 4.7888 1.6724 1.3799 H 1 UNL1111111111 0.1492 36 H 3.7926 2.6950 0.3048 H 1 UNL1111111111 0.1171 37 H 4.8504 1.4188 -0.3722 H 1 UNL1111111111 0.1455 38 H -0.3585 3.4837 -1.6990 H 1 UNL1111111111 0.1586 39 H -2.7444 3.3190 -1.0429 H 1 UNL1111111111 0.1731 40 H -4.2159 -0.6308 0.1607 H 1 UNL1111111111 0.1451 41 H -5.4614 0.4757 0.8550 H 1 UNL1111111111 0.1489 42 H -3.9554 0.1142 1.7831 H 1 UNL1111111111 0.1431 @BOND 1 1 10 1 2 1 16 1 3 2 7 1 4 2 33 1 5 3 17 2 6 4 21 1 7 4 23 1 8 5 8 1 9 5 13 1 10 5 19 1 11 6 7 1 12 6 9 1 13 6 10 1 14 6 11 1 15 7 8 1 16 7 15 1 17 8 12 1 18 8 24 1 19 9 13 1 20 9 25 1 21 9 26 1 22 10 17 1 23 10 27 1 24 11 14 ar 25 11 16 ar 26 12 14 1 27 12 28 1 28 12 29 1 29 13 30 1 30 13 31 1 31 14 20 ar 32 15 18 2 33 15 32 1 34 16 21 ar 35 17 18 1 36 18 34 1 37 19 35 1 38 19 36 1 39 19 37 1 40 20 22 ar 41 20 38 1 42 21 22 ar 43 22 39 1 44 23 40 1 45 23 41 1 46 23 42 1