@MOLECULE 7,8,10-trimethyl-2-sulfinyl-2,10-dihydrobenzo[g]pteridin-4(3h)-one 32 34 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S 4.4649 -1.0789 0.0011 S.3 1 UNL1 0.8861 2 O 1.7695 3.0500 -0.0014 O.2 1 UNL1 -0.4097 3 O 5.5939 -0.1258 0.0021 O.2 1 UNL1 -0.7202 4 N -0.4404 -1.2465 -0.0021 N.ar 1 UNL1 -0.3023 5 N -0.6511 1.5782 -0.0008 N.ar 1 UNL1 -0.1894 6 N 1.8910 -1.0445 -0.0007 N.2 1 UNL1 -0.4985 7 N 2.9575 1.1406 0.0002 N.am 1 UNL1 -0.5625 8 C -1.6949 -0.6448 -0.0005 C.ar 1 UNL1 0.1850 9 C -1.7799 0.7752 -0.0002 C.ar 1 UNL1 -0.0383 10 C 0.7117 -0.4626 -0.0012 C.ar 1 UNL1 0.3239 11 C -4.1179 -0.7611 0.0008 C.ar 1 UNL1 0.1183 12 C -2.8870 -1.3972 0.0003 C.ar 1 UNL1 -0.2938 13 C -4.2011 0.6531 0.0014 C.ar 1 UNL1 -0.0595 14 C 0.5101 1.0035 -0.0011 C.ar 1 UNL1 -0.0463 15 C -3.0428 1.4045 0.0011 C.ar 1 UNL1 -0.0563 16 C -0.3298 -2.7089 -0.0016 C.3 1 UNL1 -0.2415 17 C -5.3622 -1.5800 0.0005 C.3 1 UNL1 -0.4578 18 C 1.7493 1.8445 -0.0009 C.2 1 UNL1 0.5711 19 C -5.5277 1.3314 0.0013 C.3 1 UNL1 -0.4337 20 C 3.0340 -0.2628 -0.0000 C.3 1 UNL1 0.0333 21 H -2.8468 -2.4837 0.0005 H 1 UNL1 0.1714 22 H -3.0702 2.4999 0.0019 H 1 UNL1 0.1878 23 H -0.7932 -3.1331 0.9067 H 1 UNL1 0.1533 24 H 0.7349 -3.0308 -0.0123 H 1 UNL1 0.2010 25 H -0.8112 -3.1354 -0.8994 H 1 UNL1 0.1531 26 H -5.9816 -1.3653 -0.8850 H 1 UNL1 0.1685 27 H -5.1683 -2.6611 0.0002 H 1 UNL1 0.1580 28 H -5.9815 -1.3658 0.8862 H 1 UNL1 0.1684 29 H -5.4425 2.4277 0.0123 H 1 UNL1 0.1597 30 H -6.1155 1.0676 -0.8908 H 1 UNL1 0.1575 31 H -6.1251 1.0512 0.8817 H 1 UNL1 0.1573 32 H 3.8320 1.6801 0.0003 H 1 UNL1 0.3561 @BOND 1 25 16 1 2 30 19 1 3 26 17 1 4 24 16 1 5 4 16 1 6 4 10 ar 7 4 8 ar 8 16 23 1 9 2 18 2 10 10 14 ar 11 10 6 2 12 14 18 1 13 14 5 ar 14 18 7 am 15 5 9 ar 16 6 20 1 17 8 9 ar 18 8 12 ar 19 9 15 ar 20 20 7 1 21 20 1 1 22 27 17 1 23 7 32 1 24 12 21 1 25 12 11 ar 26 17 11 1 27 17 28 1 28 11 13 ar 29 1 3 2 30 15 13 ar 31 15 22 1 32 19 13 1 33 19 29 1 34 19 31 1