# ATOMDATA Id name resName resSeq x=3 charge type neighbors=2
  1  OH2 TIP3  1   1.583   1.785   1.480 -0.8340  O    2   3
  2  H1  TIP3  1   1.186   1.643   2.213  0.4170  H    1   0
  3  H2  TIP3  1   2.642   1.896   1.730  0.4170  H    1   0