@MOLECULE trithiocyanuric acid 12 12 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 S -1.7518 2.5137 -0.0002 S.2 1 UNL1 -0.2925 2 S -1.3013 -2.7738 -0.0001 S.2 1 UNL1 -0.2925 3 S 3.0529 0.2601 -0.0001 S.2 1 UNL1 -0.2924 4 N -1.3592 -0.1158 0.0004 N.ar 1 UNL1 -0.4954 5 N 0.5794 1.2351 0.0002 N.ar 1 UNL1 -0.4953 6 N 0.7800 -1.1193 -0.0000 N.ar 1 UNL1 -0.4953 7 C -0.8134 1.1673 0.0001 C.ar 1 UNL1 0.4136 8 C -0.6041 -1.2881 0.0001 C.ar 1 UNL1 0.4136 9 C 1.4177 0.1208 0.0001 C.ar 1 UNL1 0.4136 10 H -2.3917 -0.2038 0.0005 H 1 UNL1 0.3742 11 H 1.0193 2.1732 -0.0000 H 1 UNL1 0.3742 12 H 1.3723 -1.9694 -0.0002 H 1 UNL1 0.3742 @BOND 1 1 7 2 2 12 6 1 3 3 9 2 4 2 8 2 5 11 5 1 6 6 8 ar 7 6 9 ar 8 8 4 ar 9 9 5 ar 10 7 5 ar 11 7 4 ar 12 4 10 1