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cubane.pdb

cubane.pdb 2.3 KB
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  1. HEADER    NONAME 23-Apr-10                                              NONE   1
    2. 

  2. TITLE                                                                   NONE   2
    3. 

  3. AUTHOR    Chemical Structure Services at http://cactus.nci.nih.gov      NONE   3
    4. 

  4. REVDAT   1  23-Apr-10     0                                             NONE   4
    5. 

  5. ATOM      1  C           0       0.414   0.765   0.999  0.00  0.00           C+0
    6. 

  6. ATOM      2  C           0       0.414  -0.765   0.999  0.00  0.00           C+0
    7. 

  7. ATOM      3  C           0       0.999   0.765  -0.414  0.00  0.00           C+0
    8. 

  8. ATOM      4  C           0      -1.000   0.765   0.414  0.00  0.00           C+0
    9. 

  9. ATOM      5  C           0       0.999  -0.765  -0.414  0.00  0.00           C+0
    10. 

  10. ATOM      6  C           0      -1.000  -0.765   0.414  0.00  0.00           C+0
    11. 

  11. ATOM      7  C           0      -0.414   0.765  -1.000  0.00  0.00           C+0
    12. 

  12. ATOM      8  C           0      -0.414  -0.765  -1.000  0.00  0.00           C+0
    13. 

  13. ATOM      9  H           0       0.756   1.394   1.822  0.00  0.00           H+0
    14. 

  14. ATOM     10  H           0       0.756  -1.394   1.822  0.00  0.00           H+0
    15. 

  15. ATOM     11  H           0       1.823   1.394  -0.754  0.00  0.00           H+0
    16. 

  16. ATOM     12  H           0      -1.822   1.394   0.756  0.00  0.00           H+0
    17. 

  17. ATOM     13  H           0       1.823  -1.394  -0.754  0.00  0.00           H+0
    18. 

  18. ATOM     14  H           0      -1.822  -1.394   0.756  0.00  0.00           H+0
    19. 

  19. ATOM     15  H           0      -0.754   1.396  -1.821  0.00  0.00           H+0
    20. 

  20. ATOM     16  H           0      -0.754  -1.396  -1.821  0.00  0.00           H+0
    21. 

  21. CONECT    1    2    3    4    9                                         NONE  21
    22. 

  22. CONECT    2    1    5    6   10                                         NONE  22
    23. 

  23. CONECT    3    1    5    7   11                                         NONE  23
    24. 

  24. CONECT    4    1    6    7   12                                         NONE  24
    25. 

  25. CONECT    5    2    3    8   13                                         NONE  25
    26. 

  26. CONECT    6    2    4    8   14                                         NONE  26
    27. 

  27. CONECT    7    3    4    8   15                                         NONE  27
    28. 

  28. CONECT    8    5    6    7   16                                         NONE  28
    29. 

  29. END                                                                     NONE  29
    30. 

  30.