@MOLECULE (5alpha,7z)-7-benzylidene-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-one 58 64 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.8137 2.3741 1.1867 O.3 1 UNL111111 -0.2823 2 O 0.3327 -1.9599 0.3689 O.3 1 UNL111111 -0.5615 3 O -2.8277 1.3819 -0.2453 O.2 1 UNL111111 -0.4003 4 O -0.0997 5.1329 0.2755 O.3 1 UNL111111 -0.4475 5 N 2.9192 -1.1950 0.6702 N.3 1 UNL111111 -0.4641 6 C 0.5380 0.4237 0.7695 C.3 1 UNL111111 -0.0315 7 C 0.7144 -0.7442 -0.2237 C.3 1 UNL111111 0.3004 8 C 2.2431 -0.8009 -0.5883 C.3 1 UNL111111 -0.0126 9 C 1.3030 0.0825 2.0539 C.3 1 UNL111111 -0.2819 10 C -0.9035 0.9196 1.0706 C.3 1 UNL111111 -0.0086 11 C 1.0983 1.6557 0.1228 C.ar 1 UNL111111 -0.1161 12 C -0.2250 -0.6070 -1.4333 C.3 1 UNL111111 -0.3034 13 C 2.7904 -0.1707 1.7384 C.3 1 UNL111111 -0.1096 14 C 2.7838 0.4941 -1.2559 C.3 1 UNL111111 -0.3213 15 C 2.1498 1.7526 -0.7628 C.ar 1 UNL111111 -0.0021 16 C 4.3396 -1.5824 0.4913 C.3 1 UNL111111 -0.1006 17 C 4.4807 -2.6987 -0.5273 C.3 1 UNL111111 -0.1713 18 C 0.2909 2.7438 0.4571 C.ar 1 UNL111111 0.0631 19 C -1.8926 0.6463 -0.0636 C.2 1 UNL111111 0.4268 20 C -1.6234 -0.5449 -0.9028 C.2 1 UNL111111 -0.1023 21 C 3.7715 -4.0165 -0.2893 C.3 1 UNL111111 -0.2984 22 C 5.2700 -3.9375 -0.1527 C.3 1 UNL111111 -0.3201 23 C 2.4845 3.0369 -1.2179 C.ar 1 UNL111111 -0.1752 24 C 0.6105 4.0130 -0.0077 C.ar 1 UNL111111 0.1965 25 C 1.7407 4.1502 -0.8306 C.ar 1 UNL111111 -0.1791 26 C -2.5286 -1.5111 -1.1011 C.2 1 UNL111111 -0.1028 27 C -3.8836 -1.5289 -0.5453 C.ar 1 UNL111111 -0.0763 28 C -4.2451 -2.5771 0.3144 C.ar 1 UNL111111 -0.1145 29 C -4.7975 -0.5165 -0.8811 C.ar 1 UNL111111 -0.0857 30 C -5.5367 -2.6289 0.8539 C.ar 1 UNL111111 -0.2129 31 C -6.0990 -0.5430 -0.3553 C.ar 1 UNL111111 -0.2080 32 C -6.3401 -1.6020 0.4639 C.ar 1 UNL111111 0.0236 33 H 2.3761 -1.6487 -1.3110 H 1 UNL111111 0.1537 34 H 0.8528 -0.8096 2.5329 H 1 UNL111111 0.1606 35 H 1.2186 0.9086 2.7863 H 1 UNL111111 0.1563 36 H -1.3084 0.5888 2.0449 H 1 UNL111111 0.1757 37 H -0.0845 -1.4671 -2.1179 H 1 UNL111111 0.1669 38 H 0.0242 0.3008 -2.0206 H 1 UNL111111 0.1683 39 H 3.2861 0.7878 1.4678 H 1 UNL111111 0.1332 40 H 3.2978 -0.5569 2.6504 H 1 UNL111111 0.1371 41 H 2.6252 0.4207 -2.3539 H 1 UNL111111 0.1604 42 H 3.8844 0.5378 -1.1256 H 1 UNL111111 0.1579 43 H 4.9854 -0.7236 0.1995 H 1 UNL111111 0.1213 44 H 4.7082 -1.9277 1.4868 H 1 UNL111111 0.1470 45 H 4.5590 -2.3328 -1.5557 H 1 UNL111111 0.1514 46 H 3.3268 -4.5483 -1.1245 H 1 UNL111111 0.1542 47 H 3.1522 -4.1296 0.5981 H 1 UNL111111 0.1650 48 H 5.7262 -4.0158 0.8297 H 1 UNL111111 0.1567 49 H 5.9069 -4.4095 -0.8952 H 1 UNL111111 0.1556 50 H 1.0743 -2.3282 0.9108 H 1 UNL111111 0.3482 51 H 3.3252 3.1650 -1.8958 H 1 UNL111111 0.1564 52 H 2.0056 5.1457 -1.1878 H 1 UNL111111 0.1747 53 H -2.2730 -2.4006 -1.6887 H 1 UNL111111 0.1633 54 H -0.9609 4.8926 0.7126 H 1 UNL111111 0.3390 55 H -3.5191 -3.3484 0.5626 H 1 UNL111111 0.1576 56 H -4.4934 0.3036 -1.5340 H 1 UNL111111 0.1764 57 H -5.8607 -3.4159 1.5233 H 1 UNL111111 0.1694 58 H -6.8291 0.2272 -0.5767 H 1 UNL111111 0.1737 @BOND 1 58 31 1 2 32 31 ar 3 32 30 ar 4 31 29 ar 5 57 30 1 6 30 28 ar 7 29 56 1 8 29 27 ar 9 28 27 ar 10 28 55 1 11 27 26 1 12 53 26 1 13 26 20 2 14 3 19 2 15 20 19 1 16 20 12 1 17 19 10 1 18 37 12 1 19 12 38 1 20 12 7 1 21 10 36 1 22 10 1 1 23 10 6 1 24 54 4 1 25 1 18 1 26 2 7 1 27 2 50 1 28 7 6 1 29 7 8 1 30 4 24 1 31 18 24 ar 32 18 11 ar 33 6 11 1 34 6 9 1 35 24 25 ar 36 41 14 1 37 33 8 1 38 11 15 ar 39 8 14 1 40 8 5 1 41 25 52 1 42 25 23 ar 43 15 14 1 44 15 23 ar 45 46 21 1 46 14 42 1 47 23 51 1 48 34 9 1 49 9 35 1 50 9 13 1 51 47 21 1 52 21 17 1 53 21 22 1 54 5 13 1 55 5 16 1 56 45 17 1 57 17 16 1 58 17 22 1 59 13 39 1 60 13 40 1 61 16 43 1 62 16 44 1 63 22 49 1 64 22 48 1