@MOLECULE 1,3-phenylenedimethanethiol 20 20 0 0 0 SMALL GASTEIGER @ATOM 1 S -2.9502 1.2613 0.4797 S.3 1 UNL1111111111 -0.1689 2 S 3.0374 1.2704 0.4378 S.3 1 UNL1111111111 -0.1758 3 C -1.2119 -0.5278 -0.4648 C.ar 1 UNL1111111111 0.0174 4 C 1.2074 -0.5449 -0.4536 C.ar 1 UNL1111111111 0.0022 5 C 0.0033 0.0357 -0.8569 C.ar 1 UNL1111111111 -0.1926 6 C -1.2214 -1.6828 0.3220 C.ar 1 UNL1111111111 -0.1656 7 C 1.1941 -1.6990 0.3344 C.ar 1 UNL1111111111 -0.1627 8 C -2.4953 0.1035 -0.8800 C.3 1 UNL1111111111 -0.3264 9 C 2.4967 0.0768 -0.8538 C.3 1 UNL1111111111 -0.3284 10 C -0.0197 -2.2640 0.7180 C.ar 1 UNL1111111111 -0.1307 11 H 0.0112 0.9318 -1.4749 H 1 UNL1111111111 0.1591 12 H -2.1664 -2.1258 0.6319 H 1 UNL1111111111 0.1590 13 H 2.1304 -2.1543 0.6537 H 1 UNL1111111111 0.1603 14 H -2.3993 0.6500 -1.8371 H 1 UNL1111111111 0.1645 15 H -3.2956 -0.6465 -1.0283 H 1 UNL1111111111 0.1662 16 H 3.3073 -0.6721 -0.9662 H 1 UNL1111111111 0.1758 17 H 2.4264 0.5949 -1.8302 H 1 UNL1111111111 0.1689 18 H -0.0288 -3.1635 1.3324 H 1 UNL1111111111 0.1546 19 H -4.0460 1.8102 -0.0588 H 1 UNL1111111111 0.1551 20 H 1.8429 1.7364 0.8292 H 1 UNL1111111111 0.1680 @BOND 1 1 8 1 2 1 19 1 3 2 9 1 4 2 20 1 5 3 5 ar 6 3 6 ar 7 3 8 1 8 4 5 ar 9 4 7 ar 10 4 9 1 11 5 11 1 12 6 10 ar 13 6 12 1 14 7 10 ar 15 7 13 1 16 8 14 1 17 8 15 1 18 9 16 1 19 9 17 1 20 10 18 1