@MOLECULE methyl (2e)-4-{[(5alpha,6beta)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-4-oxo-2-butenoate 63 68 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.7408 1.1847 0.9274 O.3 1 UNL1111111111 -0.2851 2 O 1.9923 -2.4271 0.3307 O.3 1 UNL1111111111 -0.5747 3 O -0.9375 3.9923 0.3265 O.3 1 UNL1111111111 -0.4281 4 O -3.2852 0.1625 -1.8258 O.2 1 UNL1111111111 -0.4986 5 O -7.9203 0.1813 0.3466 O.3 1 UNL1111111111 -0.3913 6 O -7.3265 -1.9847 0.4789 O.2 1 UNL1111111111 -0.4970 7 N 4.0429 -0.7783 0.9953 N.3 1 UNL1111111111 -0.4666 8 N -2.3199 -1.1696 -0.2620 N.am 1 UNL1111111111 -0.6041 9 C 1.2462 -0.1485 0.6920 C.3 1 UNL1111111111 -0.0402 10 C 1.9821 -1.1358 -0.2338 C.3 1 UNL1111111111 0.3002 11 C 3.4613 -0.6185 -0.3589 C.3 1 UNL1111111111 -0.0121 12 C -0.3048 -0.2085 0.7594 C.3 1 UNL1111111111 0.0462 13 C 1.8789 -0.2427 2.0887 C.3 1 UNL1111111111 -0.2842 14 C 1.4172 1.2356 0.1422 C.ar 1 UNL1111111111 -0.1250 15 C 1.2546 -1.3152 -1.5677 C.3 1 UNL1111111111 -0.3044 16 C -0.9678 -0.6826 -0.5576 C.3 1 UNL1111111111 0.0563 17 C 3.5767 0.8045 -0.9731 C.3 1 UNL1111111111 -0.3207 18 C 3.3859 0.0776 2.0152 C.3 1 UNL1111111111 -0.1060 19 C -0.1707 -1.7894 -1.2715 C.3 1 UNL1111111111 -0.2870 20 C 2.4853 1.7406 -0.5717 C.ar 1 UNL1111111111 0.0028 21 C 0.2482 1.9608 0.3844 C.ar 1 UNL1111111111 0.1277 22 C 5.5139 -0.6011 1.0252 C.3 1 UNL1111111111 -0.1018 23 C 6.1820 -1.6865 0.2025 C.3 1 UNL1111111111 -0.1512 24 C 6.6864 -1.3818 -1.1929 C.3 1 UNL1111111111 -0.3284 25 C 7.6672 -1.5809 -0.0625 C.3 1 UNL1111111111 -0.3245 26 C 2.4193 3.0876 -0.9461 C.ar 1 UNL1111111111 -0.1688 27 C 0.1918 3.3049 0.0221 C.ar 1 UNL1111111111 0.1871 28 C 1.2994 3.8611 -0.6322 C.ar 1 UNL1111111111 -0.2349 29 C -3.4074 -0.6472 -0.9311 C.2 1 UNL1111111111 0.5765 30 C -4.7310 -1.1654 -0.4795 C.2 1 UNL1111111111 -0.1758 31 C -5.7215 -0.3191 -0.1919 C.2 1 UNL1111111111 -0.1938 32 C -7.0327 -0.8402 0.2399 C.2 1 UNL1111111111 0.5842 33 C -9.2387 -0.1780 0.7486 C.3 1 UNL1111111111 -0.1720 34 H 4.0084 -1.3305 -1.0325 H 1 UNL1111111111 0.1556 35 H -0.6893 -0.7144 1.6600 H 1 UNL1111111111 0.1526 36 H 1.3870 0.4644 2.7840 H 1 UNL1111111111 0.1551 37 H 1.7195 -1.2560 2.5053 H 1 UNL1111111111 0.1578 38 H 1.2526 -0.3714 -2.1431 H 1 UNL1111111111 0.1561 39 H 1.7834 -2.0656 -2.1863 H 1 UNL1111111111 0.1577 40 H -1.0479 0.2112 -1.2482 H 1 UNL1111111111 0.1913 41 H 3.5767 0.7115 -2.0812 H 1 UNL1111111111 0.1613 42 H 4.5679 1.2309 -0.7181 H 1 UNL1111111111 0.1551 43 H 3.5299 1.1619 1.8136 H 1 UNL1111111111 0.1320 44 H 3.8547 -0.1395 2.9999 H 1 UNL1111111111 0.1375 45 H -0.6865 -2.0669 -2.2108 H 1 UNL1111111111 0.1529 46 H -0.1392 -2.7113 -0.6557 H 1 UNL1111111111 0.1656 47 H 5.8484 -0.7042 2.0857 H 1 UNL1111111111 0.1473 48 H 5.8326 0.4106 0.6913 H 1 UNL1111111111 0.1216 49 H 5.7504 -2.6772 0.3941 H 1 UNL1111111111 0.1698 50 H 2.7237 -2.5114 0.9889 H 1 UNL1111111111 0.3481 51 H 6.6005 -2.1356 -1.9702 H 1 UNL1111111111 0.1575 52 H 6.5500 -0.3923 -1.6175 H 1 UNL1111111111 0.1541 53 H 8.2289 -0.7334 0.3179 H 1 UNL1111111111 0.1551 54 H 8.2825 -2.4755 -0.0323 H 1 UNL1111111111 0.1578 55 H -2.4189 -1.8426 0.4783 H 1 UNL1111111111 0.3115 56 H 3.2425 3.5362 -1.4962 H 1 UNL1111111111 0.1542 57 H 1.2765 4.9090 -0.9216 H 1 UNL1111111111 0.1580 58 H -0.9115 4.9090 -0.0448 H 1 UNL1111111111 0.3167 59 H -4.8396 -2.2514 -0.4270 H 1 UNL1111111111 0.1833 60 H -5.6254 0.7696 -0.2640 H 1 UNL1111111111 0.2000 61 H -9.2210 -0.6155 1.7523 H 1 UNL1111111111 0.1399 62 H -9.6763 -0.8822 0.0331 H 1 UNL1111111111 0.1414 63 H -9.7675 0.7824 0.7394 H 1 UNL1111111111 0.1482 @BOND 1 1 12 1 2 1 21 1 3 2 10 1 4 2 50 1 5 3 27 1 6 3 58 1 7 4 29 2 8 5 32 1 9 5 33 1 10 6 32 2 11 7 11 1 12 7 18 1 13 7 22 1 14 8 16 1 15 8 29 am 16 8 55 1 17 9 10 1 18 9 12 1 19 9 13 1 20 9 14 1 21 10 11 1 22 10 15 1 23 11 17 1 24 11 34 1 25 12 16 1 26 12 35 1 27 13 18 1 28 13 36 1 29 13 37 1 30 14 20 ar 31 14 21 ar 32 15 19 1 33 15 38 1 34 15 39 1 35 16 19 1 36 16 40 1 37 17 20 1 38 17 41 1 39 17 42 1 40 18 43 1 41 18 44 1 42 19 45 1 43 19 46 1 44 20 26 ar 45 21 27 ar 46 22 23 1 47 22 47 1 48 22 48 1 49 23 24 1 50 23 25 1 51 23 49 1 52 24 25 1 53 24 51 1 54 24 52 1 55 25 53 1 56 25 54 1 57 26 28 ar 58 26 56 1 59 27 28 ar 60 28 57 1 61 29 30 1 62 30 31 2 63 30 59 1 64 31 32 1 65 31 60 1 66 33 61 1 67 33 62 1 68 33 63 1