PM7 SOCl HR=WHSMC03 H=-17.4 S 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 O 1.44991066 +1 0.0000000 +0 0.0000000 +0 1 0 0 Cl 2.03778176 +1 111.9640927 +1 0.0000000 +0 1 2 0