Acetonitrile.pdb
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COMPND ACETONITRILE ATOM 1 C 1 0.278 -0.024 -0.381 ATOM 2 N 1 1.475 -0.050 -0.471 ATOM 3 C 1 -1.243 0.011 -0.266 ATOM 4 H 1 -1.527 0.057 0.785 ATOM 5 H 1 -1.662 -0.889 -0.717 ATOM 6 H 1 -1.627 0.889 -0.785 TER 7 1 END