@MOLECULE (5alpha,6alpha)-3,6-dimethoxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan 46 50 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.6334 0.3612 1.1564 O.3 1 UNL1111111111 -0.2484 2 O 2.4108 2.4734 0.0727 O.3 1 UNL1111111111 -0.3349 3 O 3.1653 -1.9127 0.5541 O.3 1 UNL1111111111 -0.2671 4 N -3.5374 0.0655 0.4214 N.3 1 UNL1111111111 -0.4292 5 C -0.7310 0.6556 0.7055 C.3 1 UNL1111111111 0.0181 6 C -1.6031 1.3108 -0.3800 C.3 1 UNL1111111111 -0.1375 7 C -2.6898 0.2640 -0.7766 C.3 1 UNL1111111111 0.0600 8 C 0.5951 1.3872 1.0835 C.3 1 UNL1111111111 0.0431 9 C -1.6015 0.3750 1.9373 C.3 1 UNL1111111111 -0.2870 10 C -0.1719 -0.6044 0.1129 C.ar 1 UNL1111111111 -0.1266 11 C -2.0893 -1.0420 -1.3843 C.3 1 UNL1111111111 -0.3269 12 C -2.7904 -0.5306 1.5557 C.3 1 UNL1111111111 -0.1020 13 C 0.9934 2.4609 0.0344 C.3 1 UNL1111111111 0.0568 14 C -0.7752 -1.4465 -0.8031 C.ar 1 UNL1111111111 0.0129 15 C -0.7507 1.6993 -1.5439 C.2 1 UNL1111111111 -0.1640 16 C 1.1695 -0.7226 0.4675 C.ar 1 UNL1111111111 0.1293 17 C 0.4763 2.1847 -1.3446 C.2 1 UNL1111111111 -0.2034 18 C -0.0438 -2.5576 -1.2284 C.ar 1 UNL1111111111 -0.1910 19 C -4.7423 -0.7301 0.1096 C.3 1 UNL1111111111 -0.2759 20 C 1.8960 -1.8489 0.0693 C.ar 1 UNL1111111111 0.1364 21 C 1.2610 -2.7715 -0.7685 C.ar 1 UNL1111111111 -0.2202 22 C 3.0008 3.5952 -0.5543 C.3 1 UNL1111111111 -0.2120 23 C 3.9429 -3.0258 0.1363 C.3 1 UNL1111111111 -0.2138 24 H -2.1217 2.2114 0.0349 H 1 UNL1111111111 0.1670 25 H -3.3467 0.7297 -1.5571 H 1 UNL1111111111 0.1318 26 H 0.6018 1.8090 2.1037 H 1 UNL1111111111 0.1511 27 H -1.9778 1.3254 2.3606 H 1 UNL1111111111 0.1511 28 H -1.0062 -0.1169 2.7294 H 1 UNL1111111111 0.1521 29 H -1.9485 -0.8825 -2.4757 H 1 UNL1111111111 0.1563 30 H -2.8265 -1.8627 -1.3018 H 1 UNL1111111111 0.1529 31 H -2.4194 -1.5549 1.3312 H 1 UNL1111111111 0.1289 32 H -3.4857 -0.6131 2.4176 H 1 UNL1111111111 0.1336 33 H 0.6043 3.4537 0.3783 H 1 UNL1111111111 0.1297 34 H -1.1646 1.5361 -2.5333 H 1 UNL1111111111 0.1486 35 H 1.1606 2.4079 -2.1583 H 1 UNL1111111111 0.1594 36 H -0.4810 -3.2567 -1.9364 H 1 UNL1111111111 0.1533 37 H -4.5477 -1.7886 -0.1211 H 1 UNL1111111111 0.1201 38 H -5.2704 -0.2772 -0.7459 H 1 UNL1111111111 0.1422 39 H -5.4269 -0.6864 0.9728 H 1 UNL1111111111 0.1450 40 H 1.7922 -3.6581 -1.0983 H 1 UNL1111111111 0.1600 41 H 2.6157 4.5380 -0.1588 H 1 UNL1111111111 0.1165 42 H 2.8782 3.5481 -1.6408 H 1 UNL1111111111 0.1210 43 H 4.0624 3.4753 -0.2958 H 1 UNL1111111111 0.1490 44 H 3.5111 -3.9618 0.5013 H 1 UNL1111111111 0.1302 45 H 4.9048 -2.8253 0.6277 H 1 UNL1111111111 0.1515 46 H 4.0672 -3.0387 -0.9512 H 1 UNL1111111111 0.1322 @BOND 1 1 8 1 2 1 16 1 3 2 13 1 4 2 22 1 5 3 20 1 6 3 23 1 7 4 7 1 8 4 12 1 9 4 19 1 10 5 6 1 11 5 8 1 12 5 9 1 13 5 10 1 14 6 7 1 15 6 15 1 16 6 24 1 17 7 11 1 18 7 25 1 19 8 13 1 20 8 26 1 21 9 12 1 22 9 27 1 23 9 28 1 24 10 14 ar 25 10 16 ar 26 11 14 1 27 11 29 1 28 11 30 1 29 12 31 1 30 12 32 1 31 13 17 1 32 13 33 1 33 14 18 ar 34 15 17 2 35 15 34 1 36 16 20 ar 37 17 35 1 38 18 21 ar 39 18 36 1 40 19 37 1 41 19 38 1 42 19 39 1 43 20 21 ar 44 21 40 1 45 22 41 1 46 22 42 1 47 22 43 1 48 23 44 1 49 23 45 1 50 23 46 1