@MOLECULE 2-methyl-3,4-quinolinediol 22 23 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 2.8765 1.0787 0.0136 O.3 1 UNL1 -0.3860 2 O 0.6005 2.4645 -0.0058 O.2 1 UNL1 -0.4271 3 N 0.3838 -1.6127 0.0002 N.ar 1 UNL1 -0.4417 4 C -0.7878 -0.8726 0.0029 C.ar 1 UNL1 0.2574 5 C -0.7445 0.5336 -0.0022 C.ar 1 UNL1 -0.2724 6 C 1.6334 -0.9836 -0.0050 C.ar 1 UNL1 0.0786 7 C 0.5321 1.2574 -0.0019 C.ar 1 UNL1 0.4663 8 C 1.7176 0.3751 0.0042 C.ar 1 UNL1 0.0054 9 C -2.0329 -1.5457 0.0089 C.ar 1 UNL1 -0.3002 10 C -1.9461 1.2573 -0.0065 C.ar 1 UNL1 -0.0007 11 C 2.8108 -1.8973 -0.0133 C.3 1 UNL1 -0.4459 12 C -3.1992 -0.8048 0.0051 C.ar 1 UNL1 -0.0314 13 C -3.1630 0.5987 -0.0039 C.ar 1 UNL1 -0.2535 14 H 0.3435 -2.6200 0.0067 H 1 UNL1 0.3171 15 H -2.0665 -2.6297 0.0158 H 1 UNL1 0.1573 16 H -1.8973 2.3521 -0.0121 H 1 UNL1 0.1748 17 H 2.9807 -2.3436 0.9802 H 1 UNL1 0.1701 18 H 3.7409 -1.3858 -0.3034 H 1 UNL1 0.1622 19 H 2.6892 -2.7242 -0.7310 H 1 UNL1 0.1666 20 H -4.1650 -1.3122 0.0090 H 1 UNL1 0.1460 21 H -4.0925 1.1610 -0.0088 H 1 UNL1 0.1587 22 H 3.6644 0.4791 0.0570 H 1 UNL1 0.2984 @BOND 1 19 11 1 2 18 11 1 3 11 6 1 4 11 17 1 5 16 10 1 6 21 13 1 7 10 13 ar 8 10 5 ar 9 2 7 2 10 6 3 ar 11 6 8 ar 12 13 12 ar 13 5 7 ar 14 5 4 ar 15 7 8 ar 16 3 4 ar 17 3 14 1 18 4 9 ar 19 8 1 1 20 12 9 ar 21 12 20 1 22 9 15 1 23 1 22 1