@MOLECULE 3-hydroxy-2-methyl-4-pyrothione 15 15 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C 2.6602 -1.1273 0.0004 C.3 1 UNL1 -0.4373 2 C 1.4585 -0.2756 -0.0000 C.ar 1 UNL1 0.1537 3 O 1.8051 1.0504 -0.0002 O.2 1 UNL1 -0.2095 4 C 0.8095 1.9656 -0.0001 C.ar 1 UNL1 0.1044 5 C -0.5048 1.6529 0.0001 C.ar 1 UNL1 -0.3090 6 C -0.9332 0.2789 0.0000 C.ar 1 UNL1 0.0717 7 S -2.4994 -0.1672 0.0001 S.2 1 UNL1 -0.2740 8 C 0.1547 -0.6740 -0.0001 C.ar 1 UNL1 0.0714 9 O -0.0338 -2.0195 -0.0003 O.3 1 UNL1 -0.4445 10 H 3.5966 -0.5472 -0.0042 H 1 UNL1 0.1725 11 H 2.6801 -1.7861 0.8880 H 1 UNL1 0.1842 12 H 2.6756 -1.7931 -0.8821 H 1 UNL1 0.1843 13 H 1.2696 2.9507 -0.0001 H 1 UNL1 0.1794 14 H -1.2658 2.4386 0.0004 H 1 UNL1 0.2010 15 H -1.0074 -2.2523 -0.0002 H 1 UNL1 0.3518 @BOND 1 12 1 1 2 10 1 1 3 9 15 1 4 9 8 1 5 3 4 ar 6 3 2 ar 7 8 6 ar 8 8 2 ar 9 4 13 1 10 4 5 ar 11 6 7 2 12 6 5 ar 13 2 1 1 14 5 14 1 15 1 11 1