@MOLECULE 3-methyl-2-thiabutane 15 14 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.0694 -0.4841 0.3233 C.3 1 UNL111111111 -0.4887 2 S 0.7589 0.6314 -0.2752 S.3 1 UNL111111111 -0.0616 3 C -0.7873 -0.1543 0.3923 C.3 1 UNL111111111 -0.0935 4 C -1.9249 0.8333 0.1634 C.3 1 UNL111111111 -0.4497 5 C -1.0695 -1.4864 -0.2891 C.3 1 UNL111111111 -0.4564 6 H 3.0357 -0.0614 0.0200 H 1 UNL111111111 0.1715 7 H 2.0653 -0.5736 1.4132 H 1 UNL111111111 0.1587 8 H 1.9852 -1.4843 -0.1121 H 1 UNL111111111 0.1593 9 H -0.6412 -0.3144 1.4855 H 1 UNL111111111 0.1423 10 H -2.0925 1.0414 -0.9021 H 1 UNL111111111 0.1573 11 H -2.8692 0.4356 0.5600 H 1 UNL111111111 0.1503 12 H -1.7521 1.7966 0.6623 H 1 UNL111111111 0.1560 13 H -2.0198 -1.9112 0.0613 H 1 UNL111111111 0.1496 14 H -1.1500 -1.3878 -1.3803 H 1 UNL111111111 0.1593 15 H -0.2937 -2.2337 -0.0846 H 1 UNL111111111 0.1455 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 1 6 1 6 1 7 1 7 1 8 1 8 3 9 1 9 4 10 1 10 4 11 1 11 4 12 1 12 5 13 1 13 5 14 1 14 5 15 1