File: SKE_crystal_aligned_1.pdb

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rdkit 202503.6-4
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file content (55 lines) | stat: -rw-r--r-- 2,805 bytes parent folder | download | duplicates (3)
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HETATM    1  C1  SKE A 402       1.219   6.910  32.590  1.00 64.62           C  
HETATM    2  N1  SKE A 402       2.530   7.232  32.715  1.00 61.03           N  
HETATM    3  O1  SKE A 402      -6.607   4.886  28.742  1.00 76.51           O  
HETATM    4  C2  SKE A 402      -0.594   5.871  32.485  1.00 66.29           C  
HETATM    5  N2  SKE A 402       0.735   5.655  32.672  1.00 63.60           N  
HETATM    6  O2  SKE A 402      -6.896   6.912  29.887  1.00 71.93           O  
HETATM    7  C3  SKE A 402      -2.692   5.010  31.911  1.00 66.41           C  
HETATM    8  N3  SKE A 402      -1.483   4.855  32.490  1.00 66.66           N  
HETATM    9  O3  SKE A 402       1.579   9.585  32.191  1.00 59.12           O  
HETATM   10  C4  SKE A 402      -3.171   6.285  31.633  1.00 64.98           C  
HETATM   11  N4  SKE A 402      -7.734   4.833  30.951  1.00 74.68           N  
HETATM   12  C5  SKE A 402      -4.417   6.444  31.037  1.00 66.32           C  
HETATM   13  N5  SKE A 402      -0.988   7.158  32.292  1.00 66.64           N  
HETATM   14  C6  SKE A 402      -5.183   5.329  30.718  1.00 68.38           C  
HETATM   15  N6  SKE A 402       0.253   7.792  32.374  1.00 66.43           N  
HETATM   16  C7  SKE A 402      -4.703   4.055  30.996  1.00 61.22           C  
HETATM   17  C8  SKE A 402      -3.458   3.895  31.593  1.00 64.03           C  
HETATM   18  C9  SKE A 402       0.446   9.137  32.247  1.00 63.94           C  
HETATM   19  C10 SKE A 402      -0.736  10.058  32.176  1.00 64.53           C  
HETATM   20  C11 SKE A 402      -1.525  10.085  31.039  1.00 65.96           C  
HETATM   21  C12 SKE A 402      -2.621  10.936  30.971  1.00 66.61           C  
HETATM   22  C13 SKE A 402      -2.925  11.762  32.047  1.00 67.29           C  
HETATM   23  C14 SKE A 402      -2.132  11.732  33.188  1.00 68.03           C  
HETATM   24  C15 SKE A 402      -1.036  10.879  33.250  1.00 66.18           C  
HETATM   25  F1  SKE A 402      -1.230   9.285  29.998  1.00 66.27           F  
HETATM   26  F2  SKE A 402      -0.268  10.850  34.353  1.00 68.15           F  
HETATM   27  S   SKE A 402      -6.612   5.512  30.034  1.00 73.69           S  
CONECT    1    2    5   15
CONECT    2    1
CONECT    3   27
CONECT    4    5    8   13
CONECT    5    1    4
CONECT    6   27
CONECT    7    8   10   17
CONECT    8    4    7
CONECT    9   18
CONECT   10    7   12
CONECT   11   27
CONECT   12   10   14
CONECT   13    4   15
CONECT   14   12   16   27
CONECT   15    1   13   18
CONECT   16   14   17
CONECT   17    7   16
CONECT   18    9   15   19
CONECT   19   18   20   24
CONECT   20   19   21   25
CONECT   21   20   22
CONECT   22   21   23
CONECT   23   22   24
CONECT   24   19   23   26
CONECT   25   20
CONECT   26   24
CONECT   27    3    6   11   14
END