@MOLECULE n-4-quinolinylglycine 25 26 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.8216 0.2650 0.0153 O.3 1 UNL1111111111 -0.5513 2 O -3.5748 -1.5933 0.0007 O.2 1 UNL1111111111 -0.4875 3 N -1.2394 -0.1207 -0.0018 N.pl3 1 UNL1111111111 -0.5284 4 N 2.4579 1.8670 0.0059 N.ar 1 UNL1111111111 -0.4482 5 C 1.1832 -0.2299 -0.0032 C.ar 1 UNL1111111111 -0.1921 6 C -0.0387 0.5425 -0.0060 C.ar 1 UNL1111111111 0.3218 7 C 2.4041 0.4908 0.0031 C.ar 1 UNL1111111111 0.2134 8 C 1.2304 -1.6458 -0.0054 C.ar 1 UNL1111111111 -0.1113 9 C 0.0432 1.9323 -0.0059 C.ar 1 UNL1111111111 -0.4433 10 C 3.6444 -0.2129 0.0069 C.ar 1 UNL1111111111 -0.1689 11 C -2.5061 0.6045 -0.0163 C.3 1 UNL1111111111 -0.1326 12 C 2.4347 -2.3053 -0.0017 C.ar 1 UNL1111111111 -0.1770 13 C 1.3202 2.5413 0.0012 C.ar 1 UNL1111111111 0.1435 14 C 3.6521 -1.5826 0.0044 C.ar 1 UNL1111111111 -0.1102 15 C -3.6400 -0.3938 0.0009 C.2 1 UNL1111111111 0.6221 16 H -1.2905 -1.1315 -0.0200 H 1 UNL1111111111 0.3376 17 H 0.3051 -2.2207 -0.0096 H 1 UNL1111111111 0.1458 18 H -0.8325 2.5644 -0.0101 H 1 UNL1111111111 0.1711 19 H -2.5884 1.2564 -0.9255 H 1 UNL1111111111 0.1860 20 H -2.5867 1.2863 0.8714 H 1 UNL1111111111 0.1877 21 H 4.5641 0.3738 0.0118 H 1 UNL1111111111 0.1783 22 H 2.4698 -3.3934 -0.0034 H 1 UNL1111111111 0.1581 23 H 1.4070 3.6371 0.0029 H 1 UNL1111111111 0.1657 24 H 4.5921 -2.1340 0.0072 H 1 UNL1111111111 0.1543 25 H -5.6124 -0.3341 0.0268 H 1 UNL1111111111 0.3656 @BOND 1 1 15 1 2 1 25 1 3 2 15 2 4 3 6 1 5 3 11 1 6 3 16 1 7 4 7 ar 8 4 13 ar 9 5 6 ar 10 5 7 ar 11 5 8 ar 12 6 9 ar 13 7 10 ar 14 8 12 ar 15 8 17 1 16 9 13 ar 17 9 18 1 18 10 14 ar 19 10 21 1 20 11 15 1 21 11 19 1 22 11 20 1 23 12 14 ar 24 12 22 1 25 13 23 1 26 14 24 1