REMARK created by molecuilder on Mon Sep 12 14:44:15 2016, time step 0 ATOM 1 O01 0non 01 4.494 5.000 5.000 0.00 0.00 O 0 ATOM 2 H01 0non 01 5.253 5.000 5.504 0.00 0.00 H 0 ATOM 3 H01 0wat 01 3.755 5.000 4.510 0.00 0.00 H 0 CONECT 1 2 3 CONECT 2 1 CONECT 3 1 END