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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      -1.049   1.569  -0.186  0.00  0.00           C+0
    6. 

  6. ATOM      2  C           0       1.717   0.715   0.155  0.00  0.00           C+0
    7. 

  7. ATOM      3  C           0      -1.635  -2.212  -0.674  0.00  0.00           C+0
    8. 

  8. ATOM      4  C           0      -4.657   0.896   0.691  0.00  0.00           C+0
    9. 

  9. ATOM      5  C           0      -4.065  -2.519  -0.433  0.00  0.00           C+0
    10. 

  10. ATOM      6  C           0      -2.792  -2.984  -0.745  0.00  0.00           C+0
    11. 

  11. ATOM      7  C           0       4.762  -1.453  -0.659  0.00  0.00           C+0
    12. 

  12. ATOM      8  C           0       3.241  -1.347   1.369  0.00  0.00           C+0
    13. 

  13. ATOM      9  C           0      -0.294   3.762  -0.536  0.00  0.00           C+0
    14. 

  14. ATOM     10  C           0       6.055  -0.727  -0.281  0.00  0.00           C+0
    15. 

  15. ATOM     11  C           0       4.117  -0.699   2.443  0.00  0.00           C+0
    16. 

  16. ATOM     12  H           0      -6.116  -0.586   0.423  0.00  0.00           H+0
    17. 

  17. ATOM     13  O           0       3.348   0.665  -1.551  0.00  0.00           O+0
    18. 

  18. ATOM     14  C           0      -2.243   1.917   0.716  0.00  0.00           C+0
    19. 

  19. ATOM     15  C           0       1.270   2.005  -0.544  0.00  0.00           C+0
    20. 

  20. ATOM     16  C           0       2.958   0.178  -0.511  0.00  0.00           C+0
    21. 

  21. ATOM     17  C           0      -1.715  -0.898  -0.270  0.00  0.00           C+0
    22. 

  22. ATOM     18  C           0      -3.338   0.903   0.522  0.00  0.00           C+0
    23. 

  23. ATOM     19  C           0       0.596  -0.284   0.030  0.00  0.00           C+0
    24. 

  24. ATOM     20  N           0       0.046   2.483   0.100  0.00  0.00           N+0
    25. 

  25. ATOM     21  C           0      -0.654   0.118  -0.131  0.00  0.00           C+0
    26. 

  26. ATOM     22  C           0      -4.182  -1.194  -0.016  0.00  0.00           C+0
    27. 

  27. ATOM     23  N           0       3.634  -0.844   0.050  0.00  0.00           N+0
    28. 

  28. ATOM     24  N           0      -5.176  -0.349   0.374  0.00  0.00           N+0
    29. 

  29. ATOM     25  C           0      -3.008  -0.439   0.056  0.00  0.00           C+0
    30. 

  30. ATOM     26  H           0      -1.370   1.771  -1.208  0.00  0.00           H+0
    31. 

  31. ATOM     27  H           0      -0.679  -2.642  -0.934  0.00  0.00           H+0
    32. 

  32. ATOM     28  H           0      -1.924   1.911   1.758  0.00  0.00           H+0
    33. 

  33. ATOM     29  H           0      -2.616   2.907   0.457  0.00  0.00           H+0
    34. 

  34. ATOM     30  H           0      -5.240   1.741   1.027  0.00  0.00           H+0
    35. 

  35. ATOM     31  H           0      -4.930  -3.161  -0.511  0.00  0.00           H+0
    36. 

  36. ATOM     32  H           0       0.816  -1.341   0.073  0.00  0.00           H+0
    37. 

  37. ATOM     33  H           0      -2.694  -4.011  -1.065  0.00  0.00           H+0
    38. 

  38. ATOM     34  H           0       1.919   0.915   1.207  0.00  0.00           H+0
    39. 

  39. ATOM     35  H           0       2.050   2.761  -0.453  0.00  0.00           H+0
    40. 

  40. ATOM     36  H           0       1.074   1.803  -1.597  0.00  0.00           H+0
    41. 

  41. ATOM     37  H           0      -1.230   4.137  -0.122  0.00  0.00           H+0
    42. 

  42. ATOM     38  H           0       0.501   4.484  -0.349  0.00  0.00           H+0
    43. 

  43. ATOM     39  H           0      -0.405   3.615  -1.611  0.00  0.00           H+0
    44. 

  44. ATOM     40  H           0       4.601  -1.373  -1.734  0.00  0.00           H+0
    45. 

  45. ATOM     41  H           0       4.842  -2.504  -0.381  0.00  0.00           H+0
    46. 

  46. ATOM     42  H           0       3.370  -2.429   1.399  0.00  0.00           H+0
    47. 

  47. ATOM     43  H           0       2.196  -1.100   1.555  0.00  0.00           H+0
    48. 

  48. ATOM     44  H           0       6.894  -1.180  -0.809  0.00  0.00           H+0
    49. 

  49. ATOM     45  H           0       5.975   0.324  -0.559  0.00  0.00           H+0
    50. 

  50. ATOM     46  H           0       6.215  -0.807   0.794  0.00  0.00           H+0
    51. 

  51. ATOM     47  H           0       3.829  -1.077   3.424  0.00  0.00           H+0
    52. 

  52. ATOM     48  H           0       5.163  -0.940   2.253  0.00  0.00           H+0
    53. 

  53. ATOM     49  H           0       3.983   0.383   2.418  0.00  0.00           H+0
    54. 

  54. CONECT    1   21   20   14   26                                         NONE  54
    55. 

  55. CONECT    2   19   16   15   34                                         NONE  55
    56. 

  56. CONECT    3   17    6   27    0                                         NONE  56
    57. 

  57. CONECT    4   18   24   30    0                                         NONE  57
    58. 

  58. CONECT    5   22    6   31    0                                         NONE  58
    59. 

  59. CONECT    6    3    5   33    0                                         NONE  59
    60. 

  60. CONECT    7   23   10   40   41                                         NONE  60
    61. 

  61. CONECT    8   23   11   42   43                                         NONE  61
    62. 

  62. CONECT    9   20   37   38   39                                         NONE  62
    63. 

  63. CONECT   10    7   44   45   46                                         NONE  63
    64. 

  64. CONECT   11    8   47   48   49                                         NONE  64
    65. 

  65. CONECT   13   16    0    0    0                                         NONE  65
    66. 

  66. CONECT   14   18    1   28   29                                         NONE  66
    67. 

  67. CONECT   15   20    2   35   36                                         NONE  67
    68. 

  68. CONECT   16    2   23   13    0                                         NONE  68
    69. 

  69. CONECT   17   25   21    3    0                                         NONE  69
    70. 

  70. CONECT   18   25   14    4    0                                         NONE  70
    71. 

  71. CONECT   19   21    2   32    0                                         NONE  71
    72. 

  72. CONECT   20    1   15    9    0                                         NONE  72
    73. 

  73. CONECT   21   17    1   19    0                                         NONE  73
    74. 

  74. CONECT   22   25   24    5    0                                         NONE  74
    75. 

  75. CONECT   23   16    7    8    0                                         NONE  75
    76. 

  76. CONECT   24   22    4   12    0                                         NONE  76
    77. 

  77. CONECT   25   17   18   22    0                                         NONE  77
    78. 

  78. END                                                                     NONE  78
    79. 

  79.