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Text File  |  1996-12-01  |  432 b   |  11 lines
  1. COMPND      ACETONITRILE
  2. AUTHOR      DAVE WOODCOCK  96 11 18
  3. ATOM      1  C           1       0.278  -0.024  -0.381
  4. ATOM      2  N           1       1.475  -0.050  -0.471
  5. ATOM      3  C           1      -1.243   0.011  -0.266
  6. ATOM      4  H           1      -1.527   0.057   0.785
  7. ATOM      5  H           1      -1.662  -0.889  -0.717
  8. ATOM      6  H           1      -1.627   0.889  -0.785
  9. TER       7              1
  10. END
  11.