@MOLECULE 10-methylpyrimido[4,5-b]quinoline-2,4,8(1h,3h,10h)-trione 27 29 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.5831 -2.6541 -0.0125 O.2 1 UNL1 -0.4561 2 O -4.3602 1.5260 -0.1337 O.2 1 UNL1 -0.4670 3 O 5.0023 0.7610 -0.2176 O.2 1 UNL1 -0.4750 4 N 0.2708 1.1952 0.1105 N.ar 1 UNL1 -0.3347 5 N -2.1030 1.3567 -0.0296 N.ar 1 UNL1 -0.5793 6 N -3.4909 -0.5989 -0.0634 N.ar 1 UNL1 -0.6208 7 C -0.9543 0.5801 0.0384 C.ar 1 UNL1 0.4814 8 C 1.4700 0.4298 0.0373 C.ar 1 UNL1 0.2888 9 C -1.0675 -0.8179 0.0355 C.ar 1 UNL1 -0.4187 10 C 1.3324 -1.0185 0.0821 C.ar 1 UNL1 -0.1998 11 C 0.1033 -1.6135 0.0834 C.ar 1 UNL1 0.0669 12 C 0.3671 2.6515 0.2698 C.3 1 UNL1 -0.2595 13 C 2.6813 1.0305 -0.0769 C.ar 1 UNL1 -0.4513 14 C -2.3604 -1.4681 -0.0133 C.ar 1 UNL1 0.6358 15 C 2.5549 -1.7977 0.0990 C.ar 1 UNL1 -0.0597 16 C -3.4084 0.7831 -0.0787 C.ar 1 UNL1 0.7127 17 C 3.9129 0.2386 -0.1056 C.ar 1 UNL1 0.4941 18 C 3.7665 -1.2241 0.0129 C.ar 1 UNL1 -0.2803 19 H -0.0137 -2.7051 0.1093 H 1 UNL1 0.1854 20 H -2.0639 2.3754 -0.0718 H 1 UNL1 0.3449 21 H 0.3539 3.1575 -0.7143 H 1 UNL1 0.1689 22 H 1.3163 2.9279 0.7796 H 1 UNL1 0.1908 23 H -0.4335 3.0535 0.9153 H 1 UNL1 0.1577 24 H 2.8370 2.0994 -0.1643 H 1 UNL1 0.1831 25 H 2.4422 -2.8816 0.1804 H 1 UNL1 0.1585 26 H -4.4251 -1.0205 -0.0984 H 1 UNL1 0.3544 27 H 4.6961 -1.7895 0.0206 H 1 UNL1 0.1786 @BOND 1 21 12 1 2 3 17 2 3 24 13 1 4 2 16 2 5 17 13 ar 6 17 18 ar 7 26 6 1 8 16 6 ar 9 16 5 ar 10 13 8 ar 11 20 5 1 12 6 14 ar 13 5 7 ar 14 14 1 2 15 14 9 ar 16 18 27 1 17 18 15 ar 18 9 7 ar 19 9 11 ar 20 8 10 ar 21 8 4 ar 22 7 4 ar 23 10 11 ar 24 10 15 ar 25 11 19 1 26 15 25 1 27 4 12 1 28 12 22 1 29 12 23 1