@MOLECULE thioindigo 28 31 0 0 0 SMALL GASTEIGER @ATOM 1 S 1.5125 1.6273 -0.0009 S.3 1 UNL11 0.2193 2 S -1.5124 -1.6273 -0.0013 S.3 1 UNL11 0.2193 3 O 1.3461 -2.2206 -0.0018 O.2 1 UNL11 -0.3814 4 O -1.3461 2.2206 -0.0019 O.2 1 UNL11 -0.3814 5 C 0.6634 0.0710 -0.0015 C.2 1 UNL11 -0.1844 6 C -0.6634 -0.0710 -0.0012 C.2 1 UNL11 -0.1845 7 C 3.0314 -0.5358 -0.0001 C.ar 1 UNL11 -0.1975 8 C -3.0314 0.5358 -0.0003 C.ar 1 UNL11 -0.1975 9 C 3.1129 0.8634 -0.0001 C.ar 1 UNL11 -0.0593 10 C -3.1129 -0.8634 0.0001 C.ar 1 UNL11 -0.0593 11 C 1.6484 -1.0564 -0.0011 C.2 1 UNL11 0.4496 12 C -1.6484 1.0564 -0.0013 C.2 1 UNL11 0.4496 13 C 4.1800 -1.3125 0.0006 C.ar 1 UNL11 -0.0486 14 C -4.1800 1.3124 0.0006 C.ar 1 UNL11 -0.0486 15 C 4.3372 1.5073 0.0011 C.ar 1 UNL11 -0.1706 16 C -4.3371 -1.5072 0.0009 C.ar 1 UNL11 -0.1706 17 C 5.4220 -0.6698 0.0017 C.ar 1 UNL11 -0.1874 18 C -5.4219 0.6697 0.0017 C.ar 1 UNL11 -0.1874 19 C 5.4965 0.7218 0.0019 C.ar 1 UNL11 -0.0880 20 C -5.4964 -0.7219 0.0020 C.ar 1 UNL11 -0.0880 21 H 4.1091 -2.4018 0.0005 H 1 UNL11 0.1701 22 H -4.1091 2.4018 0.0004 H 1 UNL11 0.1701 23 H 4.4149 2.5933 0.0011 H 1 UNL11 0.1672 24 H -4.4146 -2.5931 0.0013 H 1 UNL11 0.1672 25 H 6.3355 -1.2619 0.0024 H 1 UNL11 0.1592 26 H -6.3355 1.2618 0.0024 H 1 UNL11 0.1592 27 H 6.4711 1.2110 0.0028 H 1 UNL11 0.1519 28 H -6.4710 -1.2111 0.0028 H 1 UNL11 0.1520 @BOND 1 1 5 1 2 1 9 1 3 2 6 1 4 2 10 1 5 3 11 2 6 4 12 2 7 5 6 2 8 5 11 1 9 6 12 1 10 7 9 ar 11 7 11 1 12 7 13 ar 13 8 10 ar 14 8 12 1 15 8 14 ar 16 9 15 ar 17 10 16 ar 18 13 17 ar 19 13 21 1 20 14 18 ar 21 14 22 1 22 15 19 ar 23 15 23 1 24 16 20 ar 25 16 24 1 26 17 19 ar 27 17 25 1 28 18 20 ar 29 18 26 1 30 19 27 1 31 20 28 1