REMARK created by molecuilder on Wed Nov 14 17:11:55 2012, time step 0 ATOM 1 O01 0non 01 0.000 0.000 0.000 0.00 0.00 O 0 ATOM 2 H01 0wat 01 0.644 0.000 0.644 0.00 0.00 H 0 ATOM 3 H02 0non 01 0.644 0.000 -0.644 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END