########## SPC/E model 3 atoms 2 bonds 1 angles Coords 1 0.816490 0.577359 0.000000 2 0.000000 0.000000 0.000000 3 1.632980 0.000000 0.000000 Types 1 1 2 2 3 2 Charges 1 -0.8476 2 0.4238 3 0.4238