@MOLECULE n-hydroxy-n-methyl-4-quinolinamine 1-oxide 24 25 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.6081 -1.1873 -0.7902 O.3 1 UNL1 -0.1579 2 O 2.5487 2.0526 -0.1455 O.2 1 UNL1 -0.2494 3 N 1.4150 1.5440 -0.0612 N.ar 1 UNL1 -0.0909 4 N -2.3981 -0.2948 0.2784 N.4 1 UNL1 -0.1118 5 C 0.0353 -0.4680 0.0994 C.ar 1 UNL1 -0.1982 6 C 1.3060 0.1370 -0.0013 C.ar 1 UNL1 0.4944 7 C -1.1351 0.3686 0.1072 C.ar 1 UNL1 0.2085 8 C -0.9769 1.7331 0.0493 C.ar 1 UNL1 -0.3056 9 C -0.0176 -1.8814 0.2025 C.ar 1 UNL1 -0.2557 10 C 2.4867 -0.6457 -0.0346 C.ar 1 UNL1 -0.4861 11 C 0.3078 2.3122 -0.0253 C.ar 1 UNL1 -0.2451 12 C 1.1331 -2.6327 0.1736 C.ar 1 UNL1 -0.1395 13 C 2.3970 -2.0133 0.0462 C.ar 1 UNL1 -0.0635 14 C -3.5729 0.5929 0.3696 C.3 1 UNL1 -0.8597 15 H -1.8279 2.4156 0.0611 H 1 UNL1 0.2228 16 H -0.9947 -2.3637 0.3158 H 1 UNL1 0.2661 17 H 3.4520 -0.1360 -0.1229 H 1 UNL1 0.2780 18 H 0.4376 3.3971 -0.0617 H 1 UNL1 0.2327 19 H 1.0826 -3.7189 0.2525 H 1 UNL1 0.2012 20 H 3.2933 -2.6316 0.0189 H 1 UNL1 0.1900 21 H -4.4744 -0.0462 0.4371 H 1 UNL1 0.2975 22 H -3.7081 1.2830 -0.4748 H 1 UNL1 0.2474 23 H -3.5086 1.1664 1.3105 H 1 UNL1 0.3209 24 H -2.5444 -0.7005 -1.6590 H 1 UNL1 0.2040 @BOND 1 24 1 1 2 1 4 1 3 22 14 1 4 2 3 2 5 17 10 1 6 18 11 1 7 3 11 ar 8 3 6 ar 9 10 6 ar 10 10 13 ar 11 11 8 ar 12 6 5 ar 13 20 13 1 14 13 12 ar 15 8 15 1 16 8 7 ar 17 5 7 ar 18 5 9 ar 19 7 4 1 20 12 9 ar 21 12 19 1 22 9 16 1 23 4 14 1 24 14 21 1 25 14 23 1