@MOLECULE 6alpha-iodo-3,14-dihydroxy-17-(cyclopropylmethyl)-4,5alpha-epoxymorphinan 49 54 0 0 0 SMALL USER_CHARGES @ATOM 1 I -3.6357 1.2503 0.0305 I 1 UNL111111 -0.0869 2 O -1.5643 -1.1854 -0.9657 O.3 1 UNL111111 -0.3270 3 O 1.3668 2.0400 -0.0050 O.3 1 UNL111111 -0.5814 4 O -2.1542 -4.0048 -0.1921 O.3 1 UNL111111 -0.4474 5 N 3.4315 0.3901 -0.6805 N.3 1 UNL111111 -0.4619 6 C 0.6042 -0.1345 -0.7179 C.3 1 UNL111111 -0.0414 7 C 1.2770 0.6945 0.3976 C.3 1 UNL111111 0.2991 8 C 2.7242 0.0983 0.5868 C.3 1 UNL111111 -0.0113 9 C -0.9165 0.1254 -0.9626 C.3 1 UNL111111 0.0842 10 C 1.3942 0.0108 -2.0213 C.3 1 UNL111111 -0.2818 11 C 0.5808 -1.5391 -0.2055 C.ar 1 UNL111111 -0.1072 12 C 0.4806 0.7431 1.7111 C.3 1 UNL111111 -0.3095 13 C 2.7328 -1.4011 1.0080 C.3 1 UNL111111 -0.3195 14 C 2.8713 -0.3756 -1.8215 C.3 1 UNL111111 -0.1062 15 C -1.4652 1.0232 0.1453 C.3 1 UNL111111 -0.1505 16 C -1.0308 0.5234 1.5209 C.3 1 UNL111111 -0.2755 17 C 1.5424 -2.1799 0.5501 C.ar 1 UNL111111 0.0014 18 C 4.9019 0.2145 -0.6013 C.3 1 UNL111111 -0.0993 19 C -0.6849 -2.0827 -0.4213 C.ar 1 UNL111111 0.0758 20 C 5.4979 1.0905 0.4858 C.3 1 UNL111111 -0.1701 21 C 5.2919 2.5906 0.4273 C.3 1 UNL111111 -0.2959 22 C 6.6518 2.0097 0.1376 C.3 1 UNL111111 -0.3228 23 C 1.2721 -3.4992 0.9419 C.ar 1 UNL111111 -0.1782 24 C -0.9618 -3.3827 -0.0157 C.ar 1 UNL111111 0.1871 25 C 0.0494 -4.0990 0.6434 C.ar 1 UNL111111 -0.1767 26 H 3.2210 0.6968 1.3936 H 1 UNL111111 0.1540 27 H -1.1407 0.5049 -1.9793 H 1 UNL111111 0.1559 28 H 1.3226 1.0570 -2.3816 H 1 UNL111111 0.1585 29 H 0.9535 -0.6280 -2.8114 H 1 UNL111111 0.1544 30 H 0.6573 1.7364 2.1787 H 1 UNL111111 0.1700 31 H 0.8713 -0.0059 2.4242 H 1 UNL111111 0.1529 32 H 2.7928 -1.4583 2.1161 H 1 UNL111111 0.1584 33 H 3.6668 -1.8769 0.6451 H 1 UNL111111 0.1588 34 H 2.9580 -1.4757 -1.6822 H 1 UNL111111 0.1319 35 H 3.4478 -0.1137 -2.7355 H 1 UNL111111 0.1376 36 H -1.0751 2.0612 -0.0182 H 1 UNL111111 0.1881 37 H -1.2764 -0.5529 1.6356 H 1 UNL111111 0.1610 38 H -1.5709 1.0388 2.3388 H 1 UNL111111 0.1538 39 H 5.2005 -0.8450 -0.4365 H 1 UNL111111 0.1196 40 H 5.3180 0.5070 -1.5947 H 1 UNL111111 0.1456 41 H 5.5054 0.6085 1.4683 H 1 UNL111111 0.1515 42 H 2.1558 2.1742 -0.5851 H 1 UNL111111 0.3514 43 H 5.1199 3.1474 1.3431 H 1 UNL111111 0.1548 44 H 4.6980 3.0097 -0.3823 H 1 UNL111111 0.1650 45 H 7.0425 2.0332 -0.8753 H 1 UNL111111 0.1560 46 H 7.4610 2.1439 0.8498 H 1 UNL111111 0.1552 47 H 2.0170 -4.0563 1.5051 H 1 UNL111111 0.1572 48 H -0.1546 -5.1247 0.9487 H 1 UNL111111 0.1745 49 H -2.8120 -3.3856 -0.6088 H 1 UNL111111 0.3366 @BOND 1 29 10 1 2 35 14 1 3 28 10 1 4 10 14 1 5 10 6 1 6 27 9 1 7 14 34 1 8 14 5 1 9 40 18 1 10 2 9 1 11 2 19 1 12 9 6 1 13 9 15 1 14 45 22 1 15 6 11 1 16 6 7 1 17 5 18 1 18 5 8 1 19 49 4 1 20 18 39 1 21 18 20 1 22 42 3 1 23 19 11 ar 24 19 24 ar 25 44 21 1 26 11 17 ar 27 4 24 1 28 36 15 1 29 24 25 ar 30 3 7 1 31 1 15 1 32 22 21 1 33 22 20 1 34 22 46 1 35 15 16 1 36 7 8 1 37 7 12 1 38 21 20 1 39 21 43 1 40 20 41 1 41 17 23 ar 42 17 13 1 43 8 13 1 44 8 26 1 45 25 23 ar 46 25 48 1 47 33 13 1 48 23 47 1 49 13 32 1 50 16 37 1 51 16 12 1 52 16 38 1 53 12 30 1 54 12 31 1