@MOLECULE 2-methylbutane-2-thione 17 16 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0390 0.9566 1.4372 C.3 1 UNL111 -0.4592 2 C -0.1669 0.4451 0.0032 C.2 1 UNL111 0.0611 3 S -0.9835 -1.1985 0.0113 S.2 1 UNL111 -0.0925 4 C -1.0947 1.3709 -0.7949 C.3 1 UNL111 -0.4663 5 C 1.2016 0.3721 -0.6944 C.3 1 UNL111 -0.2725 6 C 2.2083 -0.5553 -0.0161 C.3 1 UNL111 -0.4376 7 H 0.5204 0.2692 2.0854 H 1 UNL111 0.1551 8 H 0.4945 1.9161 1.4609 H 1 UNL111 0.1514 9 H -1.0161 1.1220 1.9090 H 1 UNL111 0.1570 10 H -2.0965 1.4521 -0.3512 H 1 UNL111 0.1592 11 H -0.6849 2.3903 -0.8219 H 1 UNL111 0.1567 12 H -1.2180 1.0529 -1.8379 H 1 UNL111 0.1563 13 H 1.0731 0.0607 -1.7515 H 1 UNL111 0.1483 14 H 1.6295 1.3953 -0.7442 H 1 UNL111 0.1416 15 H 2.3468 -0.3073 1.0417 H 1 UNL111 0.1448 16 H 1.9079 -1.6085 -0.0754 H 1 UNL111 0.1529 17 H 3.1906 -0.4788 -0.4984 H 1 UNL111 0.1437 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 2 5 1 5 5 6 1 6 1 7 1 7 1 8 1 8 1 9 1 9 4 10 1 10 4 11 1 11 4 12 1 12 5 13 1 13 5 14 1 14 6 15 1 15 6 16 1 16 6 17 1