@MOLECULE 3-nitro-4-quinolinamine 21 22 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.1903 1.0907 -0.0071 O.2 1 UNL1111 -0.4938 2 N 2.7425 -0.0585 -0.0016 N.pl3 1 UNL1111 0.6951 3 O 3.4707 -1.0366 0.0004 O.2 1 UNL1111 -0.3946 4 C 1.3330 -0.2503 0.0011 C.ar 1 UNL1111 -0.3893 5 C 0.8483 -1.6018 0.0021 C.ar 1 UNL1111 0.1845 6 N -0.4236 -1.9150 0.0016 N.ar 1 UNL1111 -0.4340 7 C -1.3664 -0.8985 -0.0000 C.ar 1 UNL1111 0.2363 8 C -2.7338 -1.2798 -0.0004 C.ar 1 UNL1111 -0.1743 9 C -3.7117 -0.3147 -0.0016 C.ar 1 UNL1111 -0.0915 10 C -3.3639 1.0539 -0.0025 C.ar 1 UNL1111 -0.1808 11 C -2.0421 1.4373 -0.0016 C.ar 1 UNL1111 -0.0974 12 C -1.0109 0.4710 -0.0000 C.ar 1 UNL1111 -0.2130 13 C 0.4005 0.8119 0.0022 C.ar 1 UNL1111 0.3713 14 N 0.7935 2.1050 0.0077 N.pl3 1 UNL1111 -0.5336 15 H 1.5727 -2.4385 0.0034 H 1 UNL1111 0.2046 16 H -2.9729 -2.3454 0.0002 H 1 UNL1111 0.1844 17 H -4.7665 -0.5941 -0.0021 H 1 UNL1111 0.1590 18 H -4.1568 1.8007 -0.0040 H 1 UNL1111 0.1609 19 H -1.7976 2.4986 -0.0023 H 1 UNL1111 0.1441 20 H 0.1421 2.8621 0.0065 H 1 UNL1111 0.3094 21 H 1.7863 2.3334 0.0060 H 1 UNL1111 0.3528 @BOND 1 1 2 2 2 2 3 2 3 4 2 1 4 4 5 ar 5 5 15 1 6 6 5 ar 7 7 6 ar 8 8 7 ar 9 8 16 1 10 9 8 ar 11 9 17 1 12 10 11 ar 13 10 9 ar 14 10 18 1 15 11 12 ar 16 11 19 1 17 12 13 ar 18 12 7 ar 19 13 4 ar 20 14 13 1 21 14 20 1 22 14 21 1