h2o: 3 atoms 2 bonds 1 angles Coords 1 -9.54128147 16.94860205 13.88969999 2 -9.17128184 16.20860195 14.62970009 3 -10.65128148 -10.65128148 13.88969999 Types 1 6 2 7 3 7 Charges 1 -0.82 2 0.41 3 0.41 Bonds 1 1 1 2 2 1 1 3 Angles 1 1 2 1 3 Special Bond Counts 1 2 0 0 2 1 0 0 3 1 0 0 Special Bonds 1 2 3 2 1 3 1