SOCl2.mol -ISIS- 3D 4 3 0 0 0 0 0 0 0 0 0 -0.4905 0.0378 0.5768 S 0 0 0 0 0 1.6916 -0.0289 0.6280 Cl 0 0 0 0 0 -0.9092 1.4560 0.6327 O 0 0 0 0 0 -0.8111 -0.6853 -1.4598 Cl 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1 4 1 0 0 0 M END