Molecular Dynamics, Cheminformatics, Charmm, Amber, Computational Chemistry.
2696 OH2 TIP3 A 511 18.802 -21.089 -16.846 1.00 35.84 W00A ATOM 2697 OH2 TIP3 A 512 29.821 -7.016 -29.030 1.00 28.65 W00A ATOM 2698 OH2 TIP3 A 513 12.611 -18.802 -28.010 1.00 29.04 W00A ATOM 2699 OH2 TIP3 A 514 -13.959 5.032 3.437 1.00 33.48 W00A ATOM 2700 OH2 TIP3 A 515 15.195 -19.143 -24.569 1.00