pytim/data/water-small.gro
216H2O,WATJP01,SPC216,SPC-MODEL,300K,BOX(M)=1.86206NM,WFVG,MAR. 1984
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212SOL HW1 635 -.475 .011 .084
212SOL HW2 636 -.600 .014 .188
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1.86206 1.86206 6.0