@MOLECULE 4-nitrosoquinoline 1-oxide 19 20 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.3191 1.9745 0.1019 O.2 1 UNL1 -0.4511 2 O 3.3846 -0.4123 0.5340 O.2 1 UNL1 -0.0910 3 N -1.1742 1.4960 0.0275 N.ar 1 UNL1 0.3803 4 N 2.7008 -0.1658 -0.3986 N.2 1 UNL1 0.0745 5 C 0.2572 -0.4819 -0.0956 C.ar 1 UNL1 0.0491 6 C -1.0297 0.0913 0.0018 C.ar 1 UNL1 -0.0531 7 C 1.3858 0.3888 -0.1537 C.ar 1 UNL1 -0.1329 8 C 0.3608 -1.8959 -0.1222 C.ar 1 UNL1 -0.1785 9 C -2.1837 -0.7286 0.0799 C.ar 1 UNL1 -0.0927 10 C 1.2114 1.7497 -0.1090 C.ar 1 UNL1 -0.0773 11 C -0.0857 2.2956 -0.0236 C.ar 1 UNL1 -0.2398 12 C -0.7648 -2.6801 -0.0428 C.ar 1 UNL1 -0.0944 13 C -2.0479 -2.0945 0.0621 C.ar 1 UNL1 -0.1643 14 H 1.3469 -2.3526 -0.2115 H 1 UNL1 0.1697 15 H -3.1659 -0.2485 0.1546 H 1 UNL1 0.1907 16 H 2.0617 2.4358 -0.1429 H 1 UNL1 0.1792 17 H -0.2464 3.3770 0.0038 H 1 UNL1 0.2070 18 H -0.6823 -3.7680 -0.0618 H 1 UNL1 0.1593 19 H -2.9230 -2.7406 0.1274 H 1 UNL1 0.1654 @BOND 1 4 7 1 2 4 2 2 3 14 8 1 4 7 10 ar 5 7 5 ar 6 16 10 1 7 8 5 ar 8 8 12 ar 9 10 11 ar 10 5 6 ar 11 18 12 1 12 12 13 ar 13 11 17 1 14 11 3 ar 15 6 3 ar 16 6 9 ar 17 3 1 2 18 13 9 ar 19 13 19 1 20 9 15 1