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Text File  |  1990-11-07  |  696b  |  16 lines
  1. MOLDAT ALA.FRG_cart
  2.    13
  3. NA             -0.572          1.278          0.368         2         7         8
  4. C             -0.088        -0.090          0.451         1         3         4         9
  5. C             -0.617        -0.893        -0.739         2        10        11        12
  6. C               1.438        -0.100          0.330         2         5         6
  7. O               1.986          0.992          0.191         4
  8. O               2.118        -1.265          0.380         4        13
  9. H             -1.540          1.495          0.128         1
  10. H               0.088          2.032          0.559         1
  11. H             -0.417        -0.514          1.399         2
  12. H             -0.265        -0.434        -1.662         3
  13. H             -1.707        -0.888        -0.712         3
  14. H             -0.249        -1.916        -0.668         3
  15. H_new          3.112        -1.352          0.309         6
  16.