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Text File  |  1987-06-22  |  2KB  |  41 lines
  1. TITLE   ** AETIOBILIVERDIN **
  2. C1           1.75153   -.24679   -.91171
  3. C2           3.12101   -.65138  -1.30923
  4. C3           3.80505   -.90092   -.16964
  5. C4           2.93769   -.60965    .98326
  6. C5           3.28209   -.65374   2.28501
  7. C6           2.58918   -.18861   3.46015
  8. C7           2.94021   -.41694   4.80610
  9. C8           2.06632    .32386   5.61354
  10. C9           1.19494   1.01439   4.76674
  11. C10           .12670   1.90865   5.10248
  12. C11          -.58612   2.71875   4.26074
  13. C12         -1.80591   3.46000   4.60648
  14. C13         -2.27178   3.98683   3.45583
  15. C14         -1.35836   3.54473   2.40326
  16. C15         -1.50187   3.83188    .96276
  17. C16          -.56472   3.54199    .01620
  18. C17          -.67638   3.62686  -1.43664
  19. C18           .50053   3.19961  -1.98262
  20. C19          1.43273   2.92579   -.86251
  21. N20          1.68987   -.23286    .46054
  22. N21          1.50225    .66905   3.44943
  23. N22          -.35104   2.82173   2.88673
  24. N23           .72188   3.07698    .30255
  25. O24           .80149    .00510  -1.67468
  26. O25          2.61497   2.60028   -.94951
  27. C26          3.56361   -.70874  -2.73216
  28. C27          5.26161  -1.36859   -.03513
  29. C28          5.33318  -2.84676    .40936
  30. C29          4.07134  -1.29328   5.26773
  31. C30          2.15013    .54691   7.12132
  32. C31          2.98609   1.71766   7.51226
  33. C32         -2.39521   3.54124   6.01165
  34. END
  35. This is an example of the output obtained from the GEOM program
  36. packaged with the Cambridge Crystallography Database.
  37. It has been deliberately truncated to work with the Demo-Version of
  38. Ball and Stick(B&S).
  39. Only the first character of the atom designator is interpreted by B&S.
  40. The connectivity table is built automatically.