@MOLECULE (5alpha,6alpha)-17-methyl-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl dibutanoate 62 66 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1752 -0.4234 1.2304 O.3 1 UNL1111111111 -0.2748 2 O 1.5318 1.4513 0.4449 O.3 1 UNL1111111111 -0.4220 3 O 1.1426 -2.9349 0.0438 O.3 1 UNL1111111111 -0.3891 4 O 2.2950 3.4613 -0.2161 O.2 1 UNL1111111111 -0.5183 5 O 2.3807 -1.5516 -1.2542 O.2 1 UNL1111111111 -0.4812 6 N -4.8361 0.8076 0.4496 N.3 1 UNL1111111111 -0.4329 7 C -1.9940 0.5620 0.8146 C.3 1 UNL1111111111 0.0244 8 C -2.6193 1.6042 -0.1286 C.3 1 UNL1111111111 -0.1381 9 C -3.9206 0.9609 -0.7056 C.3 1 UNL1111111111 0.0616 10 C -0.5474 0.8422 1.3307 C.3 1 UNL1111111111 0.0470 11 C -2.9563 0.3039 1.9796 C.3 1 UNL1111111111 -0.2920 12 C -1.7461 -0.6690 -0.0047 C.ar 1 UNL1111111111 -0.1503 13 C -3.6666 -0.3467 -1.5214 C.3 1 UNL1111111111 -0.3354 14 C -4.3292 -0.1588 1.4534 C.3 1 UNL1111111111 -0.1022 15 C -2.4960 -1.1484 -1.0565 C.ar 1 UNL1111111111 0.0578 16 C 0.1858 1.9204 0.4924 C.3 1 UNL1111111111 0.0941 17 C -1.6403 1.9930 -1.1859 C.2 1 UNL1111111111 -0.1609 18 C -0.4859 -1.1877 0.3138 C.ar 1 UNL1111111111 0.1712 19 C -0.3414 2.1046 -0.8968 C.2 1 UNL1111111111 -0.1887 20 C -6.2102 0.4613 0.0365 C.3 1 UNL1111111111 -0.2753 21 C -2.0358 -2.3082 -1.7028 C.ar 1 UNL1111111111 -0.2231 22 C -0.0275 -2.3242 -0.3362 C.ar 1 UNL1111111111 0.1127 23 C -0.8265 -2.8949 -1.3351 C.ar 1 UNL1111111111 -0.1245 24 C 2.4977 2.2945 -0.0052 C.2 1 UNL1111111111 0.6158 25 C 3.7609 1.5080 -0.1580 C.3 1 UNL1111111111 -0.3596 26 C 2.3220 -2.3852 -0.3964 C.2 1 UNL1111111111 0.6201 27 C 4.8562 2.3602 -0.8002 C.3 1 UNL1111111111 -0.2283 28 C 3.4454 -3.0374 0.3543 C.3 1 UNL1111111111 -0.3464 29 C 6.1376 1.5453 -0.9631 C.3 1 UNL1111111111 -0.4404 30 C 4.2348 -1.9620 1.1133 C.3 1 UNL1111111111 -0.2295 31 C 3.3639 -1.2527 2.1474 C.3 1 UNL1111111111 -0.4530 32 H -2.9194 2.5155 0.4516 H 1 UNL1111111111 0.1716 33 H -4.3958 1.7052 -1.3972 H 1 UNL1111111111 0.1348 34 H -0.4906 1.0643 2.4121 H 1 UNL1111111111 0.1522 35 H -2.5463 -0.4662 2.6598 H 1 UNL1111111111 0.1507 36 H -3.0798 1.2282 2.5760 H 1 UNL1111111111 0.1533 37 H -4.5853 -0.9653 -1.5199 H 1 UNL1111111111 0.1565 38 H -3.4998 -0.0678 -2.5846 H 1 UNL1111111111 0.1620 39 H -5.0556 -0.1921 2.2940 H 1 UNL1111111111 0.1348 40 H -4.2473 -1.1915 1.0488 H 1 UNL1111111111 0.1263 41 H 0.1695 2.9010 1.0338 H 1 UNL1111111111 0.1553 42 H -2.0355 2.1621 -2.1823 H 1 UNL1111111111 0.1527 43 H 0.4073 2.3607 -1.6455 H 1 UNL1111111111 0.1730 44 H -6.3274 -0.5532 -0.3736 H 1 UNL1111111111 0.1192 45 H -6.5624 1.1864 -0.7151 H 1 UNL1111111111 0.1440 46 H -6.8738 0.5582 0.9131 H 1 UNL1111111111 0.1464 47 H -2.6161 -2.7365 -2.5151 H 1 UNL1111111111 0.1603 48 H -0.4713 -3.7910 -1.8435 H 1 UNL1111111111 0.1687 49 H 4.0859 1.1180 0.8297 H 1 UNL1111111111 0.1766 50 H 3.5554 0.5960 -0.7732 H 1 UNL1111111111 0.2030 51 H 5.0456 3.2643 -0.1880 H 1 UNL1111111111 0.1463 52 H 4.5139 2.7403 -1.7838 H 1 UNL1111111111 0.1496 53 H 4.0992 -3.5756 -0.3614 H 1 UNL1111111111 0.1685 54 H 3.0624 -3.8050 1.0612 H 1 UNL1111111111 0.1780 55 H 6.5213 1.1973 0.0019 H 1 UNL1111111111 0.1395 56 H 6.9275 2.1413 -1.4341 H 1 UNL1111111111 0.1423 57 H 5.9742 0.6631 -1.5938 H 1 UNL1111111111 0.1472 58 H 5.1074 -2.4299 1.6089 H 1 UNL1111111111 0.1373 59 H 4.6515 -1.2259 0.3957 H 1 UNL1111111111 0.1460 60 H 3.9421 -0.5349 2.7377 H 1 UNL1111111111 0.1401 61 H 2.9046 -1.9605 2.8470 H 1 UNL1111111111 0.1501 62 H 2.5371 -0.6981 1.6726 H 1 UNL1111111111 0.1748 @BOND 1 1 10 1 2 1 18 1 3 2 16 1 4 2 24 1 5 3 22 1 6 3 26 1 7 4 24 2 8 5 26 2 9 6 9 1 10 6 14 1 11 6 20 1 12 7 8 1 13 7 10 1 14 7 11 1 15 7 12 1 16 8 9 1 17 8 17 1 18 8 32 1 19 9 13 1 20 9 33 1 21 10 16 1 22 10 34 1 23 11 14 1 24 11 35 1 25 11 36 1 26 12 15 ar 27 12 18 ar 28 13 15 1 29 13 37 1 30 13 38 1 31 14 39 1 32 14 40 1 33 15 21 ar 34 16 19 1 35 16 41 1 36 17 19 2 37 17 42 1 38 18 22 ar 39 19 43 1 40 20 44 1 41 20 45 1 42 20 46 1 43 21 23 ar 44 21 47 1 45 22 23 ar 46 23 48 1 47 24 25 1 48 25 27 1 49 25 49 1 50 25 50 1 51 26 28 1 52 27 29 1 53 27 51 1 54 27 52 1 55 28 30 1 56 28 53 1 57 28 54 1 58 29 55 1 59 29 56 1 60 29 57 1 61 30 31 1 62 30 58 1 63 30 59 1 64 31 60 1 65 31 61 1 66 31 62 1