File: ACP_crystal_aligned_1.pdb

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rdkit 202503.6-3
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file content (63 lines) | stat: -rw-r--r-- 3,217 bytes parent folder | download | duplicates (3)
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HETATM    1  PA  ACP A 501      -1.185  13.784  29.849  0.75114.22           P  
HETATM    2  PB  ACP A 501      -2.243  16.269  31.018  0.75127.40           P  
HETATM    3  PG  ACP A 501      -5.113  15.367  30.520  0.75136.16           P  
HETATM    4  C5' ACP A 501      -2.030  11.688  28.413  0.75 99.38           C  
HETATM    5  O5' ACP A 501      -2.373  12.930  28.990  0.75107.18           O  
HETATM    6  C4' ACP A 501      -3.223  10.673  28.618  0.75 93.18           C  
HETATM    7  O4' ACP A 501      -2.727   9.227  28.357  0.75 88.42           O  
HETATM    8  C3' ACP A 501      -3.622  10.715  29.824  0.75 93.45           C  
HETATM    9  O3' ACP A 501      -4.957  11.260  29.879  0.75 95.79           O  
HETATM   10  C2' ACP A 501      -3.621   9.169  30.406  0.75 89.70           C  
HETATM   11  O2' ACP A 501      -4.940   8.561  30.216  0.75 86.98           O  
HETATM   12  C1' ACP A 501      -2.750   8.535  29.734  0.75 86.09           C  
HETATM   13  N1  ACP A 501       0.400   5.318  31.815  0.75 74.02           N  
HETATM   14  O1A ACP A 501      -0.444  14.713  28.901  0.75113.39           O1-
HETATM   15  O1B ACP A 501      -1.350  16.980  31.985  0.75128.13           O  
HETATM   16  O1G ACP A 501      -4.974  15.667  29.044  0.75134.88           O  
HETATM   17  C2  ACP A 501      -0.817   5.138  31.233  0.75 74.12           C  
HETATM   18  O2A ACP A 501      -0.191  12.813  30.459  0.75113.21           O1-
HETATM   19  O2B ACP A 501      -2.023  16.819  29.640  0.75127.80           O  
HETATM   20  O2G ACP A 501      -6.536  15.556  30.932  0.75137.10           O  
HETATM   21  C3B ACP A 501      -4.018  16.532  31.502  0.75131.82           C  
HETATM   22  N3  ACP A 501      -1.491   6.199  30.729  0.75 73.41           N  
HETATM   23  O3A ACP A 501      -1.917  14.647  31.055  0.75121.40           O  
HETATM   24  O3G ACP A 501      -4.698  13.933  30.786  0.75136.87           O  
HETATM   25  C4  ACP A 501      -0.957   7.437  30.803  0.75 76.01           C  
HETATM   26  C5  ACP A 501       0.240   7.616  31.374  0.75 76.95           C  
HETATM   27  C6  ACP A 501       0.927   6.533  31.888  0.75 74.17           C  
HETATM   28  N6  ACP A 501       2.186   6.222  32.566  0.75 75.62           N  
HETATM   29  N7  ACP A 501       0.536   8.930  31.317  0.75 76.65           N  
HETATM   30  C8  ACP A 501      -0.474   9.555  30.713  0.75 76.76           C  
HETATM   31  N9  ACP A 501      -1.401   8.634  30.393  0.75 77.41           N  
CONECT    1    5   14   18   23
CONECT    2   15   19   21   23
CONECT    3   16   20   21   24
CONECT    4    6    5
CONECT    5    1    4
CONECT    6    4    7    8
CONECT    7    6   12
CONECT    8    6    9   10
CONECT    9    8
CONECT   10    8   11   12
CONECT   11   10
CONECT   12    7   10   31
CONECT   13   17   27
CONECT   14    1
CONECT   15    2
CONECT   16    3
CONECT   17   13   22
CONECT   18    1
CONECT   19    2
CONECT   20    3
CONECT   21    2    3
CONECT   22   17   25
CONECT   23    1    2
CONECT   24    3
CONECT   25   22   26   31
CONECT   26   25   27   29
CONECT   27   26   13   28
CONECT   28   27
CONECT   29   26   30
CONECT   30   29   31
CONECT   31   12   25   30
END