File: ACP_crystal_aligned_2.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 B 501      -1.917  14.672  30.124  0.61 99.60           P  
HETATM    2  PB  ACP B 501      -1.351  17.171  31.552  0.61112.78           P  
HETATM    3  PG  ACP B 501      -4.103  17.610  30.303  0.61121.54           P  
HETATM    4  C5' ACP B 501      -1.993  12.428  31.528  0.61 84.76           C  
HETATM    5  O5' ACP B 501      -1.293  13.155  30.543  0.61 92.56           O  
HETATM    6  C4' ACP B 501      -3.113  11.543  30.851  0.61 78.56           C  
HETATM    7  O4' ACP B 501      -2.508  10.582  29.796  0.61 73.80           O  
HETATM    8  C3' ACP B 501      -3.660  10.810  31.728  0.61 78.83           C  
HETATM    9  O3' ACP B 501      -5.090  10.984  31.665  0.61 81.17           O  
HETATM   10  C2' ACP B 501      -3.268   9.235  31.410  0.61 75.08           C  
HETATM   11  O2' ACP B 501      -4.448   8.538  30.896  0.61 72.36           O  
HETATM   12  C1' ACP B 501      -2.355   9.229  30.520  0.61 71.47           C  
HETATM   13  N1  ACP B 501       0.623   5.609  32.304  0.61 59.40           N  
HETATM   14  O1A ACP B 501      -3.330  14.485  29.601  0.61 98.77           O1-
HETATM   15  O1B ACP B 501      -0.684  17.392  32.873  0.61113.51           O  
HETATM   16  O1G ACP B 501      -4.693  16.435  31.012  0.61122.48           O  
HETATM   17  C2  ACP B 501      -0.640   5.554  31.800  0.61 59.50           C  
HETATM   18  O2A ACP B 501      -1.049  15.302  29.049  0.61 98.59           O1-
HETATM   19  O2B ACP B 501      -0.355  17.393  30.452  0.61113.18           O  
HETATM   20  O2G ACP B 501      -5.185  18.632  30.040  0.61120.26           O  
HETATM   21  C3B ACP B 501      -2.760  18.370  31.369  0.61117.20           C  
HETATM   22  N3  ACP B 501      -1.252   6.684  31.372  0.61 58.79           N  
HETATM   23  O3A ACP B 501      -1.925  15.623  31.480  0.61106.78           O  
HETATM   24  O3G ACP B 501      -3.502  17.172  28.980  0.61122.25           O  
HETATM   25  C4  ACP B 501      -0.613   7.875  31.444  0.61 61.39           C  
HETATM   26  C5  ACP B 501       0.630   7.925  31.942  0.61 62.33           C  
HETATM   27  C6  ACP B 501       1.253   6.773  32.377  0.61 59.55           C  
HETATM   28  N6  ACP B 501       2.523   6.345  32.962  0.61 61.00           N  
HETATM   29  N7  ACP B 501       1.048   9.202  31.911  0.61 62.03           N  
HETATM   30  C8  ACP B 501       0.069   9.937  31.395  0.61 62.14           C  
HETATM   31  N9  ACP B 501      -0.970   9.128  31.107  0.61 62.79           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