@MOLECULE (5alpha,6beta)-3-ethoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-6-ol 46 50 0 0 0 SMALL USER_CHARGES @ATOM 1 O -1.6196 -0.7200 0.9692 O.3 1 UNL111111111 -0.3251 2 O -0.2112 -3.8176 0.0648 O.3 1 UNL111111111 -0.5400 3 O -3.4952 1.6421 0.4074 O.3 1 UNL111111111 -0.3275 4 N 3.4879 0.3065 0.4561 N.3 1 UNL111111111 -0.4320 5 C 0.7671 -0.6225 0.5824 C.3 1 UNL111111111 0.0167 6 C 1.7367 -1.0315 -0.5388 C.3 1 UNL111111111 -0.1496 7 C 2.6823 0.1877 -0.7827 C.3 1 UNL111111111 0.0598 8 C -0.4394 -1.5674 0.8378 C.3 1 UNL111111111 0.0253 9 C 1.5698 -0.3784 1.8666 C.3 1 UNL111111111 -0.2904 10 C 0.0507 0.6096 0.1196 C.ar 1 UNL111111111 -0.1099 11 C 1.9397 1.4915 -1.2101 C.3 1 UNL111111111 -0.3253 12 C 2.6654 0.6799 1.6323 C.3 1 UNL111111111 -0.1025 13 C 0.5614 1.6304 -0.6536 C.ar 1 UNL111111111 0.0023 14 C -0.7292 -2.5555 -0.3144 C.3 1 UNL111111111 0.1177 15 C 0.9800 -1.4598 -1.7519 C.2 1 UNL111111111 -0.1226 16 C -1.3076 0.5044 0.4296 C.ar 1 UNL111111111 0.0906 17 C -0.1596 -2.1495 -1.6413 C.2 1 UNL111111111 -0.2368 18 C -0.3062 2.6869 -0.9676 C.ar 1 UNL111111111 -0.1819 19 C 4.6274 1.2322 0.2990 C.3 1 UNL111111111 -0.2730 20 C -2.1753 1.5416 0.1099 C.ar 1 UNL111111111 0.1578 21 C -1.6396 2.6523 -0.5709 C.ar 1 UNL111111111 -0.1833 22 C -4.1834 0.4330 0.7244 C.3 1 UNL111111111 -0.0151 23 C -4.3316 -0.4458 -0.5072 C.3 1 UNL111111111 -0.4791 24 H 2.3800 -1.8832 -0.1924 H 1 UNL111111111 0.1694 25 H 3.3929 -0.0845 -1.6063 H 1 UNL111111111 0.1336 26 H -0.3931 -2.0984 1.8092 H 1 UNL111111111 0.1641 27 H 2.0327 -1.3253 2.2045 H 1 UNL111111111 0.1526 28 H 0.9016 -0.0398 2.6811 H 1 UNL111111111 0.1528 29 H 1.8734 1.5091 -2.3193 H 1 UNL111111111 0.1567 30 H 2.5572 2.3707 -0.9384 H 1 UNL111111111 0.1562 31 H 2.1986 1.6837 1.5245 H 1 UNL111111111 0.1284 32 H 3.3347 0.7215 2.5190 H 1 UNL111111111 0.1371 33 H -1.8287 -2.7528 -0.3696 H 1 UNL111111111 0.1614 34 H 1.4021 -1.1773 -2.7128 H 1 UNL111111111 0.1504 35 H -0.7285 -2.4766 -2.5072 H 1 UNL111111111 0.1597 36 H 0.0608 3.5328 -1.5436 H 1 UNL111111111 0.1577 37 H 5.2214 0.9379 -0.5813 H 1 UNL111111111 0.1430 38 H 5.2843 1.1305 1.1801 H 1 UNL111111111 0.1468 39 H 4.3500 2.2922 0.1962 H 1 UNL111111111 0.1197 40 H -2.3083 3.4783 -0.8138 H 1 UNL111111111 0.1718 41 H 0.7620 -3.8355 -0.0397 H 1 UNL111111111 0.3147 42 H -3.6834 -0.0833 1.5630 H 1 UNL111111111 0.1404 43 H -5.1533 0.8406 1.0710 H 1 UNL111111111 0.1367 44 H -4.7484 0.1194 -1.3500 H 1 UNL111111111 0.1562 45 H -3.3594 -0.8416 -0.8324 H 1 UNL111111111 0.1626 46 H -4.9887 -1.2999 -0.3126 H 1 UNL111111111 0.1516 @BOND 1 34 15 1 2 35 17 1 3 29 11 1 4 15 17 2 5 15 6 1 6 17 14 1 7 25 7 1 8 36 18 1 9 44 23 1 10 11 30 1 11 11 7 1 12 11 13 1 13 18 13 ar 14 18 21 ar 15 45 23 1 16 40 21 1 17 7 6 1 18 7 4 1 19 13 10 ar 20 37 19 1 21 21 20 ar 22 6 24 1 23 6 5 1 24 23 46 1 25 23 22 1 26 33 14 1 27 14 2 1 28 14 8 1 29 41 2 1 30 20 3 1 31 20 16 ar 32 10 16 ar 33 10 5 1 34 39 19 1 35 19 4 1 36 19 38 1 37 3 22 1 38 16 1 1 39 4 12 1 40 5 8 1 41 5 9 1 42 22 43 1 43 22 42 1 44 8 1 1 45 8 26 1 46 31 12 1 47 12 9 1 48 12 32 1 49 9 27 1 50 9 28 1