@MOLECULE naloxone 45 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4904 -0.2216 1.2397 O.3 1 UNL1111111111 -0.2872 2 O 1.1656 -2.4095 -0.2777 O.3 1 UNL1111111111 -0.5702 3 O -3.2063 -2.7240 0.3288 O.2 1 UNL1111111111 -0.4306 4 O -4.0396 2.2693 0.6789 O.3 1 UNL1111111111 -0.4455 5 N 2.5918 -0.1150 0.0159 N.3 1 UNL1111111111 -0.4643 6 C -0.1984 -0.5763 0.5470 C.3 1 UNL1111111111 -0.0361 7 C 0.5382 -1.2083 -0.6532 C.3 1 UNL1111111111 0.2970 8 C 1.6316 -0.1737 -1.1116 C.3 1 UNL1111111111 -0.0118 9 C -1.4935 -1.2719 1.0359 C.3 1 UNL1111111111 -0.0131 10 C 0.7961 -0.3789 1.6981 C.3 1 UNL1111111111 -0.2847 11 C -0.7546 0.7271 0.0594 C.ar 1 UNL1111111111 -0.1107 12 C -0.4517 -1.6114 -1.7499 C.3 1 UNL1111111111 -0.2973 13 C 1.0568 1.2011 -1.5552 C.3 1 UNL1111111111 -0.3216 14 C 1.9978 0.4700 1.2425 C.3 1 UNL1111111111 -0.1069 15 C -0.1989 1.6010 -0.8522 C.ar 1 UNL1111111111 -0.0058 16 C -1.4053 -2.6680 -1.1957 C.3 1 UNL1111111111 -0.3574 17 C -2.1315 -2.2544 0.0531 C.2 1 UNL1111111111 0.4482 18 C -2.0535 0.8777 0.5444 C.ar 1 UNL1111111111 0.0626 19 C 3.8595 0.5627 -0.3458 C.3 1 UNL1111111111 -0.1238 20 C -0.9235 2.7661 -1.1454 C.ar 1 UNL1111111111 -0.1741 21 C -2.7811 2.0217 0.2384 C.ar 1 UNL1111111111 0.1952 22 C -2.1833 2.9839 -0.5909 C.ar 1 UNL1111111111 -0.1777 23 C 4.9402 0.1160 0.5995 C.2 1 UNL1111111111 -0.1148 24 C 6.0059 0.8659 0.8729 C.2 1 UNL1111111111 -0.3423 25 H 2.1729 -0.6267 -1.9826 H 1 UNL1111111111 0.1472 26 H -1.3948 -1.7391 2.0374 H 1 UNL1111111111 0.1731 27 H 1.1424 -1.3669 2.0640 H 1 UNL1111111111 0.1586 28 H 0.3015 0.1193 2.5546 H 1 UNL1111111111 0.1561 29 H 0.0956 -2.0201 -2.6218 H 1 UNL1111111111 0.1579 30 H -1.0070 -0.7264 -2.1154 H 1 UNL1111111111 0.1600 31 H 0.8554 1.1649 -2.6483 H 1 UNL1111111111 0.1606 32 H 1.8340 1.9819 -1.4296 H 1 UNL1111111111 0.1577 33 H 1.6801 1.5261 1.0981 H 1 UNL1111111111 0.1322 34 H 2.7773 0.4708 2.0366 H 1 UNL1111111111 0.1449 35 H -0.8298 -3.5976 -0.9604 H 1 UNL1111111111 0.1944 36 H -2.1416 -2.9683 -1.9713 H 1 UNL1111111111 0.1739 37 H 2.0251 -2.2232 0.1728 H 1 UNL1111111111 0.3505 38 H 3.7645 1.6718 -0.3559 H 1 UNL1111111111 0.1300 39 H 4.1501 0.2616 -1.3815 H 1 UNL1111111111 0.1517 40 H -0.5054 3.5007 -1.8303 H 1 UNL1111111111 0.1572 41 H -2.7403 3.8916 -0.8204 H 1 UNL1111111111 0.1753 42 H 4.7924 -0.8770 1.0259 H 1 UNL1111111111 0.1591 43 H -4.4028 1.4748 1.1546 H 1 UNL1111111111 0.3378 44 H 6.8013 0.5481 1.5297 H 1 UNL1111111111 0.1497 45 H 6.1751 1.8506 0.4677 H 1 UNL1111111111 0.1450 @BOND 1 1 9 1 2 1 18 1 3 2 7 1 4 2 37 1 5 3 17 2 6 4 21 1 7 4 43 1 8 5 8 1 9 5 14 1 10 5 19 1 11 6 7 1 12 6 9 1 13 6 10 1 14 6 11 1 15 7 8 1 16 7 12 1 17 8 13 1 18 8 25 1 19 9 17 1 20 9 26 1 21 10 14 1 22 10 27 1 23 10 28 1 24 11 15 ar 25 11 18 ar 26 12 16 1 27 12 29 1 28 12 30 1 29 13 15 1 30 13 31 1 31 13 32 1 32 14 33 1 33 14 34 1 34 15 20 ar 35 16 17 1 36 16 35 1 37 16 36 1 38 18 21 ar 39 19 23 1 40 19 38 1 41 19 39 1 42 20 22 ar 43 20 40 1 44 21 22 ar 45 22 41 1 46 23 24 2 47 23 42 1 48 24 44 1 49 24 45 1