CH3SHO.mol 7 6 0 0 0 0 0 0 0 0 0 -0.3565 -0.3264 0.0434 S 0 0 0 0 0 1.5093 -0.3808 0.0239 C 0 0 0 0 0 -0.8092 1.1327 0.1135 O 0 0 0 0 0 -0.3961 -0.7436 -1.3109 H 0 0 0 0 0 1.8272 -1.4128 -0.2088 H 0 0 0 0 0 1.8813 0.3300 -0.7306 H 0 0 0 0 0 1.8494 -0.0920 1.0303 H 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 2 7 1 0 0 0