PageRenderTime 21ms CodeModel.GetById 17ms RepoModel.GetById 0ms app.codeStats 0ms

/data/dan001.xyz

http://github.com/rajarshi/cdkr
Unknown | 59 lines | 59 code | 0 blank | 0 comment | 0 complexity | 1718011b5b69364605b61c19e696ef03 MD5 | raw file
  1. 57
  2. dan001.xyz 0.0000000
  3. C -0.90158 3.28364 -0.06027
  4. C -2.09630 2.67295 0.72949
  5. N -2.09804 1.18838 0.81945
  6. C -3.40786 0.66824 1.31747
  7. C -3.64327 -0.84067 1.01063
  8. N -3.24911 -1.19567 -0.38349
  9. C -3.09722 -2.66410 -0.62507
  10. C -1.71164 -3.23273 -0.19611
  11. C -0.50380 -2.50885 -0.86725
  12. N 0.24268 -1.57144 0.02822
  13. C 1.35109 -0.83265 -0.65295
  14. C 0.93160 0.33448 -1.60101
  15. N 0.80034 1.62939 -0.86879
  16. C -0.40186 2.42338 -1.26075
  17. C -0.91335 0.61022 1.53192
  18. C -0.62843 -0.84990 1.01718
  19. C -4.08644 -0.45881 -1.39912
  20. C 2.04204 2.45937 -0.93325
  21. C 3.11822 1.90853 -0.02995
  22. C 4.29551 1.34188 -0.55212
  23. C 5.25437 0.81335 0.32767
  24. C 5.01901 0.85715 1.71123
  25. C 3.82705 1.42912 2.18479
  26. N 2.92066 1.93180 1.31239
  27. H -0.07972 3.46008 0.63670
  28. H -1.21912 4.25743 -0.44394
  29. H -3.00708 2.98422 0.20887
  30. H -2.11735 3.10584 1.73278
  31. H -4.21683 1.22352 0.83413
  32. H -3.49106 0.83222 2.39467
  33. H -3.06467 -1.43232 1.72249
  34. H -4.69953 -1.07346 1.17044
  35. H -3.88378 -3.21002 -0.09707
  36. H -3.21114 -2.86866 -1.69406
  37. H -1.68529 -4.28275 -0.50347
  38. H -1.61543 -3.21046 0.89017
  39. H -0.85387 -1.98409 -1.75815
  40. H 0.20202 -3.27857 -1.19378
  41. H 1.91473 -1.55617 -1.24991
  42. H 2.03151 -0.45905 0.11231
  43. H -0.00738 0.06941 -2.08874
  44. H 1.68397 0.43022 -2.38835
  45. H -1.21485 1.77056 -1.58438
  46. H -0.15109 3.08002 -2.09811
  47. H -1.12014 0.57346 2.60570
  48. H -0.02920 1.23369 1.39234
  49. H -0.89544 -0.34857 0.07237
  50. H 0.29880 -0.77735 1.61341
  51. H -4.85243 -1.22294 -1.18035
  52. H -3.11955 -0.47186 -1.93786
  53. H -4.41069 -0.70573 -2.42787
  54. H 1.83320 3.47680 -0.59418
  55. H 2.40257 2.52516 -1.96219
  56. H 4.45946 1.30530 -1.58940
  57. H 6.13843 0.38617 -0.04633
  58. H 5.72490 0.46539 2.38355
  59. H 3.63346 1.46617 3.21696