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Text File  |  1992-02-27  |  431 b   |  18 lines  |  [TEXT/MOLE]
  1. ; Stick colour
  2. 2(0.700000, 0.700000, 0.700000)
  3. ; Model
  4. BS
  5. ; Definitions
  6. C = 100.000000, 40.000000(0.500000, 0.500000, 0.500000)
  7. H = 60.000000, 24.000000(1.000000, 1.000000, 1.000000)
  8. O = 93.333333, 38.666667(1.000000, 0.000000, 0.000000)
  9. ; Instances
  10. C16 :    3.979165    12.634512    -11.543353
  11. H16 :    59.554363    41.665798    9.004634
  12. O17 :    -58.832815    62.853027    -27.627148
  13. O18 :    3.897126    -70.725329    -18.684670
  14. ; Bonds
  15. C16, H16
  16. C16, O17
  17. C16, O18
  18.