@MOLECULE 2-hexanethiol 21 20 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.7458 0.4322 0.2067 C.3 1 UNL11111111111111 -0.4375 2 C -2.5834 -0.3726 -0.3745 C.3 1 UNL11111111111111 -0.2501 3 C -1.2564 0.0399 0.2776 C.3 1 UNL11111111111111 -0.2742 4 C -0.0936 -0.7662 -0.3153 C.3 1 UNL11111111111111 -0.2867 5 C 1.2339 -0.4848 0.3931 C.3 1 UNL11111111111111 -0.0982 6 C 2.2684 -1.5481 0.0491 C.3 1 UNL11111111111111 -0.4617 7 H 1.9154 -2.5474 0.3413 H 1 UNL11111111111111 0.1531 8 H -3.8434 0.2735 1.2864 H 1 UNL11111111111111 0.1419 9 H -2.5294 -0.2203 -1.4693 H 1 UNL11111111111111 0.1357 10 H -1.3106 -0.1120 1.3715 H 1 UNL11111111111111 0.1372 11 H -0.0155 -0.5781 -1.4050 H 1 UNL11111111111111 0.1540 12 H 1.0735 -0.4573 1.4963 H 1 UNL11111111111111 0.1484 13 H 3.2231 -1.3936 0.5655 H 1 UNL11111111111111 0.1467 14 H -4.6970 0.1462 -0.2554 H 1 UNL11111111111111 0.1398 15 H -2.7614 -1.4541 -0.2262 H 1 UNL11111111111111 0.1323 16 H -1.0954 1.1256 0.1338 H 1 UNL11111111111111 0.1518 17 H -0.3239 -1.8494 -0.2308 H 1 UNL11111111111111 0.1455 18 S 1.8310 1.1985 -0.1230 S.3 1 UNL11111111111111 -0.2444 19 H 2.4798 -1.5914 -1.0283 H 1 UNL11111111111111 0.1608 20 H -3.6097 1.5073 0.0423 H 1 UNL11111111111111 0.1447 21 H 3.0295 1.1982 0.4720 H 1 UNL11111111111111 0.1609 @BOND 1 9 2 1 2 11 4 1 3 19 6 1 4 2 15 1 5 2 1 1 6 2 3 1 7 4 17 1 8 4 3 1 9 4 5 1 10 14 1 1 11 18 5 1 12 18 21 1 13 20 1 1 14 6 7 1 15 6 5 1 16 6 13 1 17 16 3 1 18 1 8 1 19 3 10 1 20 5 12 1