@MOLECULE (5alpha,6beta)-17-allyl-4,5-epoxymorphinan-3,6-diol 46 50 0 0 0 SMALL USER_CHARGES @ATOM 1 O 2.4060 0.0499 1.2559 O.3 1 UNL1111111111 -0.3059 2 O 3.2176 2.9443 0.4463 O.3 1 UNL1111111111 -0.5649 3 O 3.6359 -2.5146 0.8031 O.3 1 UNL1111111111 -0.4339 4 N -2.6157 0.4363 0.0331 N.3 1 UNL1111111111 -0.4540 5 C 0.2179 0.6989 0.4816 C.3 1 UNL1111111111 0.0155 6 C -0.5225 1.4480 -0.6307 C.3 1 UNL1111111111 -0.1222 7 C -1.6759 0.5127 -1.1105 C.3 1 UNL1111111111 0.0568 8 C 1.6026 1.2384 0.9376 C.3 1 UNL1111111111 0.0154 9 C -0.7490 0.5581 1.6702 C.3 1 UNL1111111111 -0.2903 10 C 0.6305 -0.6516 -0.0212 C.ar 1 UNL1111111111 -0.1146 11 C 0.4309 1.8735 -1.7457 C.3 1 UNL1111111111 -0.2882 12 C 2.3879 1.9722 -0.1676 C.3 1 UNL1111111111 0.1262 13 C -1.1999 -0.8684 -1.6605 C.3 1 UNL1111111111 -0.3299 14 C -2.0190 -0.1985 1.2343 C.3 1 UNL1111111111 -0.1001 15 C 1.5115 2.7715 -1.1370 C.3 1 UNL1111111111 -0.2919 16 C -0.0141 -1.4370 -0.9548 C.ar 1 UNL1111111111 0.0050 17 C 1.8731 -0.9800 0.5249 C.ar 1 UNL1111111111 0.1240 18 C -3.8990 -0.2152 -0.3240 C.3 1 UNL1111111111 -0.1280 19 C 0.5558 -2.6834 -1.2420 C.ar 1 UNL1111111111 -0.1724 20 C 2.4372 -2.2192 0.2367 C.ar 1 UNL1111111111 0.1802 21 C 1.7506 -3.0759 -0.6357 C.ar 1 UNL1111111111 -0.2369 22 C -4.9574 0.2312 0.6467 C.2 1 UNL1111111111 -0.1044 23 C -6.0326 -0.5046 0.9224 C.2 1 UNL1111111111 -0.3569 24 H -1.0014 2.3686 -0.2045 H 1 UNL1111111111 0.1639 25 H -2.2196 1.0364 -1.9403 H 1 UNL1111111111 0.1328 26 H 1.5779 1.8037 1.8856 H 1 UNL1111111111 0.1647 27 H -1.0201 1.5600 2.0549 H 1 UNL1111111111 0.1546 28 H -0.2645 0.0154 2.5034 H 1 UNL1111111111 0.1531 29 H -0.1162 2.4135 -2.5395 H 1 UNL1111111111 0.1418 30 H 0.8857 0.9911 -2.2345 H 1 UNL1111111111 0.1509 31 H 3.0352 1.2493 -0.7179 H 1 UNL1111111111 0.1350 32 H -0.9470 -0.7482 -2.7359 H 1 UNL1111111111 0.1574 33 H -2.0452 -1.5833 -1.6352 H 1 UNL1111111111 0.1535 34 H -1.7775 -1.2717 1.0689 H 1 UNL1111111111 0.1261 35 H -2.7747 -0.1562 2.0501 H 1 UNL1111111111 0.1419 36 H 2.1490 3.2145 -1.9258 H 1 UNL1111111111 0.1535 37 H 1.0603 3.6345 -0.6083 H 1 UNL1111111111 0.1601 38 H -3.8257 -1.3252 -0.3577 H 1 UNL1111111111 0.1268 39 H -4.2001 0.1132 -1.3477 H 1 UNL1111111111 0.1484 40 H 0.0705 -3.3483 -1.9521 H 1 UNL1111111111 0.1556 41 H 3.9059 2.5087 0.9875 H 1 UNL1111111111 0.3228 42 H 2.1697 -4.0525 -0.8640 H 1 UNL1111111111 0.1589 43 H -4.7817 1.2126 1.0906 H 1 UNL1111111111 0.1609 44 H 3.9381 -3.4214 0.5498 H 1 UNL1111111111 0.3167 45 H -6.8104 -0.1867 1.5986 H 1 UNL1111111111 0.1475 46 H -6.2255 -1.4772 0.5002 H 1 UNL1111111111 0.1442 @BOND 1 32 13 1 2 29 11 1 3 30 11 1 4 40 19 1 5 25 7 1 6 36 15 1 7 11 15 1 8 11 6 1 9 13 33 1 10 13 7 1 11 13 16 1 12 39 18 1 13 19 16 ar 14 19 21 ar 15 15 37 1 16 15 12 1 17 7 6 1 18 7 4 1 19 16 10 ar 20 42 21 1 21 31 12 1 22 21 20 ar 23 6 24 1 24 6 5 1 25 38 18 1 26 18 4 1 27 18 22 1 28 12 2 1 29 12 8 1 30 10 5 1 31 10 17 ar 32 4 14 1 33 20 17 ar 34 20 3 1 35 2 41 1 36 5 8 1 37 5 9 1 38 46 23 1 39 17 1 1 40 44 3 1 41 22 23 2 42 22 43 1 43 23 45 1 44 8 1 1 45 8 26 1 46 34 14 1 47 14 9 1 48 14 35 1 49 9 27 1 50 9 28 1