@MOLECULE 2-isopropylsulfanylethynylbenzene 24 24 0 0 0 SMALL GASTEIGER @ATOM 1 S 2.4270 -1.0608 0.0337 S.3 1 UNL111111111 0.1098 2 C 3.2489 0.5848 -0.2890 C.3 1 UNL111111111 -0.0964 3 C 3.0012 1.5539 0.8565 C.3 1 UNL111111111 -0.4572 4 C 4.7338 0.3069 -0.4742 C.3 1 UNL111111111 -0.4536 5 C -1.7447 -0.1468 -0.0283 C.ar 1 UNL111111111 0.0193 6 C -2.6703 -1.1800 0.1748 C.ar 1 UNL111111111 -0.1391 7 C -2.1938 1.1638 -0.2403 C.ar 1 UNL111111111 -0.1425 8 C -4.0330 -0.8980 0.1693 C.ar 1 UNL111111111 -0.1417 9 C -3.5590 1.4347 -0.2436 C.ar 1 UNL111111111 -0.1412 10 C -4.4785 0.4067 -0.0389 C.ar 1 UNL111111111 -0.1457 11 C 0.8257 -0.6690 -0.0014 C.1 1 UNL111111111 -0.2027 12 C -0.3678 -0.4255 -0.0159 C.1 1 UNL111111111 -0.0551 13 H 2.8178 0.9951 -1.2321 H 1 UNL111111111 0.1496 14 H 3.4829 2.5217 0.6619 H 1 UNL111111111 0.1497 15 H 1.9323 1.7567 1.0090 H 1 UNL111111111 0.1560 16 H 3.4001 1.1872 1.8116 H 1 UNL111111111 0.1581 17 H 5.2737 1.2365 -0.7042 H 1 UNL111111111 0.1526 18 H 4.9349 -0.3854 -1.3030 H 1 UNL111111111 0.1562 19 H 5.2019 -0.1116 0.4270 H 1 UNL111111111 0.1571 20 H -2.3181 -2.1973 0.3371 H 1 UNL111111111 0.1593 21 H -1.4734 1.9634 -0.4007 H 1 UNL111111111 0.1560 22 H -4.7520 -1.6995 0.3301 H 1 UNL111111111 0.1518 23 H -3.9089 2.4525 -0.4069 H 1 UNL111111111 0.1507 24 H -5.5447 0.6229 -0.0409 H 1 UNL111111111 0.1491 @BOND 1 1 2 1 2 1 11 1 3 2 3 1 4 2 4 1 5 2 13 1 6 3 14 1 7 3 15 1 8 3 16 1 9 4 17 1 10 4 18 1 11 4 19 1 12 5 6 ar 13 5 7 ar 14 5 12 1 15 6 8 ar 16 6 20 1 17 7 9 ar 18 7 21 1 19 8 10 ar 20 8 22 1 21 9 10 ar 22 9 23 1 23 10 24 1 24 11 12 3