@MOLECULE 4-(methylmercapto)aniline 18 18 0 0 0 SMALL USER_CHARGES @ATOM 1 S -2.3246 -0.0856 0.5039 S.3 1 UNL1111111 0.0109 2 N 3.5660 0.0472 -0.2593 N.pl3 1 UNL1111111 -0.6371 3 C -0.5752 -0.0416 0.2482 C.ar 1 UNL1111111 -0.2222 4 C 2.1985 0.0158 -0.0749 C.ar 1 UNL1111111 0.3086 5 C 0.1024 1.1784 0.2422 C.ar 1 UNL1111111 -0.0236 6 C 0.1354 -1.2337 0.0993 C.ar 1 UNL1111111 -0.0202 7 C 1.5137 -1.2166 -0.0611 C.ar 1 UNL1111111 -0.3303 8 C 1.4796 1.2216 0.0822 C.ar 1 UNL1111111 -0.3289 9 C -2.9766 0.1837 -1.1802 C.3 1 UNL1111111 -0.4882 10 H -0.4451 2.1169 0.3719 H 1 UNL1111111 0.1567 11 H -0.3829 -2.1920 0.1094 H 1 UNL1111111 0.1571 12 H 2.0603 -2.1466 -0.1757 H 1 UNL1111111 0.1617 13 H 2.0002 2.1721 0.0773 H 1 UNL1111111 0.1613 14 H 4.0671 0.9057 -0.2336 H 1 UNL1111111 0.3041 15 H 4.0962 -0.7905 -0.3149 H 1 UNL1111111 0.3039 16 H -2.7225 -0.6452 -1.8496 H 1 UNL1111111 0.1601 17 H -2.5963 1.1109 -1.6213 H 1 UNL1111111 0.1597 18 H -4.0666 0.2538 -1.1108 H 1 UNL1111111 0.1667 @BOND 1 16 9 1 2 17 9 1 3 18 9 1 4 9 1 1 5 11 6 1 6 12 7 1 7 6 7 ar 8 6 3 ar 9 7 4 ar 10 15 2 1 11 3 1 1 12 3 5 ar 13 2 4 1 14 2 14 1 15 4 8 ar 16 5 8 ar 17 5 10 1 18 8 13 1