@MOLECULE 6beta-naltrexol 50 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.8733 -0.3896 0.9326 O.3 1 UNL1111111111 -0.2832 2 O 1.2660 -2.1561 0.1203 O.3 1 UNL1111111111 -0.5678 3 O -2.8214 -3.3580 0.1463 O.3 1 UNL1111111111 -0.5601 4 O -4.4882 1.9158 0.3438 O.3 1 UNL1111111111 -0.4320 5 N 2.2643 0.2982 0.7004 N.3 1 UNL1111111111 -0.4625 6 C -0.4922 -0.5467 0.5984 C.3 1 UNL1111111111 -0.0400 7 C 0.5705 -1.0477 -0.3984 C.3 1 UNL1111111111 0.3008 8 C 1.5898 0.1322 -0.6087 C.3 1 UNL1111111111 -0.0131 9 C -1.7919 -1.3774 0.7756 C.3 1 UNL1111111111 0.0627 10 C 0.1978 -0.2885 1.9455 C.3 1 UNL1111111111 -0.2827 11 C -1.0693 0.7254 0.0521 C.ar 1 UNL1111111111 -0.1300 12 C -0.0777 -1.5716 -1.6830 C.3 1 UNL1111111111 -0.3009 13 C 0.9495 1.4205 -1.1930 C.3 1 UNL1111111111 -0.3226 14 C 1.3383 0.7344 1.7771 C.3 1 UNL1111111111 -0.1090 15 C -2.1909 -2.2284 -0.4437 C.3 1 UNL1111111111 0.1224 16 C -1.0198 -2.7163 -1.3042 C.3 1 UNL1111111111 -0.3158 17 C -0.4398 1.6863 -0.7150 C.ar 1 UNL1111111111 0.0067 18 C 3.4544 1.1818 0.6533 C.3 1 UNL1111111111 -0.0998 19 C -2.4328 0.7648 0.3520 C.ar 1 UNL1111111111 0.1325 20 C 4.4588 0.6976 -0.3765 C.3 1 UNL1111111111 -0.1698 21 C 5.0441 -0.6940 -0.2465 C.3 1 UNL1111111111 -0.2963 22 C 5.9044 0.5095 0.0400 C.3 1 UNL1111111111 -0.3233 23 C -1.1896 2.8122 -1.0722 C.ar 1 UNL1111111111 -0.1780 24 C -3.1742 1.8921 0.0006 C.ar 1 UNL1111111111 0.1769 25 C -2.5307 2.9221 -0.6968 C.ar 1 UNL1111111111 -0.2355 26 H 2.3657 -0.2329 -1.3321 H 1 UNL1111111111 0.1528 27 H -1.8356 -1.9631 1.7148 H 1 UNL1111111111 0.1769 28 H 0.5891 -1.2422 2.3515 H 1 UNL1111111111 0.1608 29 H -0.5315 0.0919 2.6865 H 1 UNL1111111111 0.1557 30 H 0.7033 -1.9367 -2.3767 H 1 UNL1111111111 0.1548 31 H -0.6175 -0.7615 -2.2054 H 1 UNL1111111111 0.1515 32 H 0.9349 1.3380 -2.3015 H 1 UNL1111111111 0.1588 33 H 1.6076 2.2859 -0.9750 H 1 UNL1111111111 0.1569 34 H 0.9126 1.7439 1.5853 H 1 UNL1111111111 0.1311 35 H 1.9177 0.7968 2.7241 H 1 UNL1111111111 0.1365 36 H -2.9471 -1.6831 -1.0554 H 1 UNL1111111111 0.1336 37 H -1.3984 -3.2189 -2.2110 H 1 UNL1111111111 0.1361 38 H -0.4531 -3.4920 -0.7393 H 1 UNL1111111111 0.1836 39 H 3.1926 2.2448 0.4516 H 1 UNL1111111111 0.1196 40 H 3.9132 1.1598 1.6707 H 1 UNL1111111111 0.1458 41 H 4.2610 1.0827 -1.3814 H 1 UNL1111111111 0.1506 42 H 1.9772 -1.8595 0.7385 H 1 UNL1111111111 0.3469 43 H 5.2185 -1.2910 -1.1358 H 1 UNL1111111111 0.1537 44 H 4.7126 -1.3304 0.5718 H 1 UNL1111111111 0.1662 45 H 6.2087 0.7237 1.0601 H 1 UNL1111111111 0.1560 46 H 6.6981 0.7835 -0.6484 H 1 UNL1111111111 0.1541 47 H -0.7305 3.6053 -1.6560 H 1 UNL1111111111 0.1539 48 H -3.2072 -3.9360 -0.5358 H 1 UNL1111111111 0.3129 49 H -3.0907 3.8119 -0.9722 H 1 UNL1111111111 0.1563 50 H -4.9184 2.7581 0.0554 H 1 UNL1111111111 0.3152 @BOND 1 1 9 1 2 1 19 1 3 2 7 1 4 2 42 1 5 3 15 1 6 3 48 1 7 4 24 1 8 4 50 1 9 5 8 1 10 5 14 1 11 5 18 1 12 6 7 1 13 6 9 1 14 6 10 1 15 6 11 1 16 7 8 1 17 7 12 1 18 8 13 1 19 8 26 1 20 9 15 1 21 9 27 1 22 10 14 1 23 10 28 1 24 10 29 1 25 11 17 ar 26 11 19 ar 27 12 16 1 28 12 30 1 29 12 31 1 30 13 17 1 31 13 32 1 32 13 33 1 33 14 34 1 34 14 35 1 35 15 16 1 36 15 36 1 37 16 37 1 38 16 38 1 39 17 23 ar 40 18 20 1 41 18 39 1 42 18 40 1 43 19 24 ar 44 20 21 1 45 20 22 1 46 20 41 1 47 21 22 1 48 21 43 1 49 21 44 1 50 22 45 1 51 22 46 1 52 23 25 ar 53 23 47 1 54 24 25 ar 55 25 49 1