@MOLECULE 3-methyl-4-nitroquinoline 1-oxide 23 24 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.1359 -2.4815 -0.0656 O.2 1 UNL1 -0.4130 2 O 2.0599 1.9927 -0.6495 O.2 1 UNL1 -0.4052 3 O 3.1453 0.6166 0.5881 O.2 1 UNL1 -0.4106 4 N -1.1701 -1.7087 -0.0405 N.ar 1 UNL1 0.4143 5 N 2.1404 0.9501 -0.0206 N.pl3 1 UNL1 0.6556 6 C -0.3237 0.5864 0.0215 C.ar 1 UNL1 0.0964 7 C -1.4107 -0.3179 0.0025 C.ar 1 UNL1 -0.0898 8 C 1.0045 0.0544 -0.0074 C.ar 1 UNL1 -0.2305 9 C 1.2123 -1.3175 -0.0297 C.ar 1 UNL1 0.2032 10 C 0.0973 -2.1821 -0.0508 C.ar 1 UNL1 -0.3091 11 C -0.6283 1.9684 0.0911 C.ar 1 UNL1 -0.1827 12 C -2.7507 0.1413 0.0285 C.ar 1 UNL1 -0.0831 13 C 2.5598 -1.9367 -0.0392 C.3 1 UNL1 -0.4625 14 C -1.9332 2.4058 0.1200 C.ar 1 UNL1 -0.0759 15 C -3.0065 1.4894 0.0847 C.ar 1 UNL1 -0.1738 16 H 0.2279 -3.2686 -0.0765 H 1 UNL1 0.2122 17 H 0.1838 2.7018 0.1157 H 1 UNL1 0.1927 18 H -3.5621 -0.5944 0.0040 H 1 UNL1 0.1859 19 H 3.2342 -1.4724 -0.7805 H 1 UNL1 0.1866 20 H 3.0625 -1.8003 0.9394 H 1 UNL1 0.1982 21 H 2.5463 -3.0154 -0.2487 H 1 UNL1 0.1671 22 H -2.1515 3.4740 0.1717 H 1 UNL1 0.1603 23 H -4.0292 1.8625 0.1042 H 1 UNL1 0.1640 @BOND 1 19 13 1 2 2 5 2 3 21 13 1 4 16 10 1 5 1 4 2 6 10 4 ar 7 10 9 ar 8 4 7 ar 9 13 9 1 10 13 20 1 11 9 8 ar 12 5 8 1 13 5 3 2 14 8 6 ar 15 7 6 ar 16 7 12 ar 17 18 12 1 18 6 11 ar 19 12 15 ar 20 15 23 1 21 15 14 ar 22 11 17 1 23 11 14 ar 24 14 22 1