COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNK A   0      -0.833  -0.232   2.116  1.00  0.00           O  
HETATM    2  C   UNK A   0      -0.512  -0.615   1.011  1.00  0.00           C  
HETATM    3  N   UNK A   0       0.787  -0.833   0.724  1.00  0.00           N  
HETATM    4  C   UNK A   0      -1.566  -0.852  -0.040  1.00  0.00           C  
HETATM    5  N   UNK A   0      -3.970  -0.770  -0.480  1.00  0.00           N  
ATOM      6  O   HIS A   1       2.959   3.187   2.965  1.00  0.00           O  
ATOM      7  C   HIS A   1       3.246   3.589   1.863  1.00  0.00           C  
ATOM      8  CA  HIS A   1       2.723   2.879   0.641  1.00  0.00           C  
ATOM      9  CB  HIS A   1       1.878   3.848  -0.189  1.00  0.00           C  
ATOM     10  CG  HIS A   1       1.456   3.176  -1.470  1.00  0.00           C  
ATOM     11  ND1 HIS A   1       0.275   2.524  -1.698  1.00  0.00           N  
ATOM     12  CE1 HIS A   1       0.307   2.074  -2.971  1.00  0.00           C  
ATOM     13  NE2 HIS A   1       1.442   2.424  -3.510  1.00  0.00           N  
ATOM     14  CD2 HIS A   1       2.167   3.108  -2.612  1.00  0.00           C  
ATOM     15  N   HIS A   1       1.894   1.739   1.055  1.00  0.00           N  
HETATM   16  C   UNK A   0       2.722   0.553   1.312  1.00  0.00           C  
HETATM   17  C   UNK A   0       1.826  -0.611   1.740  1.00  0.00           C  
HETATM   18  C   UNK A   0       2.666  -1.886   1.869  1.00  0.00           C  
HETATM   19  C   UNK A   0       3.209  -2.278   0.492  1.00  0.00           C  
HETATM   20  C   UNK A   0       4.073  -3.533   0.631  1.00  0.00           C  
HETATM   21  C   UNK A   0       4.615  -3.936  -0.741  1.00  0.00           C  
HETATM   22  C   UNK A   0       3.447  -4.226  -1.685  1.00  0.00           C  
HETATM   23  C   UNK A   0       2.586  -2.969  -1.828  1.00  0.00           C  
HETATM   24  C   UNK A   0       2.042  -2.559  -0.457  1.00  0.00           C  
HETATM   25  C   UNK A   0       1.192  -1.302  -0.607  1.00  0.00           C  
HETATM   26  C   UNK A   0      -2.946  -0.539   0.542  1.00  0.00           C  
HETATM   27  C   UNK A   0      -5.316  -0.549  -0.181  1.00  0.00           C  
HETATM   28  C   UNK A   0      -6.289  -0.768  -1.149  1.00  0.00           C  
HETATM   29  C   UNK A   0      -7.619  -0.549  -0.850  1.00  0.00           C  
HETATM   30  C   UNK A   0      -7.984  -0.114   0.411  1.00  0.00           C  
HETATM   31  C   UNK A   0      -7.018   0.105   1.376  1.00  0.00           C  
HETATM   32  C   UNK A   0      -5.687  -0.117   1.086  1.00  0.00           C  
HETATM   33  H   UNK A   0      -1.377  -0.205  -0.897  1.00  0.00           H  
HETATM   34  H   UNK A   0      -1.533  -1.894  -0.357  1.00  0.00           H  
HETATM   35  H   UNK A   0      -3.713  -1.076  -1.364  1.00  0.00           H  
ATOM     36  H   HIS A   1       3.879   4.458   1.753  1.00  0.00           H  
ATOM     37  HA  HIS A   1       3.560   2.522   0.042  1.00  0.00           H  
ATOM     38  HB1 HIS A   1       0.993   4.137   0.379  1.00  0.00           H  
ATOM     39  HB2 HIS A   1       2.467   4.736  -0.421  1.00  0.00           H  
ATOM     40  HD1 HIS A   1      -0.449   2.406  -1.064  1.00  0.00           H  
ATOM     41  HE1 HIS A   1      -0.477   1.516  -3.461  1.00  0.00           H  
ATOM     42  HD2 HIS A   1       3.150   3.524  -2.774  1.00  0.00           H  
ATOM     43  H   HIS A   1       1.182   1.541   0.368  1.00  0.00           H  
HETATM   44  H   UNK A   0       3.260   0.282   0.404  1.00  0.00           H  
HETATM   45  H   UNK A   0       3.435   0.773   2.106  1.00  0.00           H  
HETATM   46  H   UNK A   0       1.358  -0.380   2.697  1.00  0.00           H  
HETATM   47  H   UNK A   0       3.497  -1.706   2.550  1.00  0.00           H  
HETATM   48  H   UNK A   0       2.045  -2.693   2.258  1.00  0.00           H  
HETATM   49  H   UNK A   0       3.813  -1.463   0.094  1.00  0.00           H  
HETATM   50  H   UNK A   0       4.905  -3.329   1.305  1.00  0.00           H  
HETATM   51  H   UNK A   0       3.469  -4.346   1.035  1.00  0.00           H  
HETATM   52  H   UNK A   0       5.218  -3.123  -1.147  1.00  0.00           H  
HETATM   53  H   UNK A   0       5.231  -4.830  -0.641  1.00  0.00           H  
HETATM   54  H   UNK A   0       3.831  -4.516  -2.663  1.00  0.00           H  
HETATM   55  H   UNK A   0       2.842  -5.036  -1.277  1.00  0.00           H  
HETATM   56  H   UNK A   0       3.191  -2.159  -2.234  1.00  0.00           H  
HETATM   57  H   UNK A   0       1.754  -3.174  -2.502  1.00  0.00           H  
HETATM   58  H   UNK A   0       1.432  -3.366  -0.051  1.00  0.00           H  
HETATM   59  H   UNK A   0       0.305  -1.530  -1.199  1.00  0.00           H  
HETATM   60  H   UNK A   0       1.776  -0.528  -1.105  1.00  0.00           H  
HETATM   61  H   UNK A   0      -3.135  -1.186   1.398  1.00  0.00           H  
HETATM   62  H   UNK A   0      -2.978   0.504   0.859  1.00  0.00           H  
HETATM   63  H   UNK A   0      -6.005  -1.108  -2.134  1.00  0.00           H  
HETATM   64  H   UNK A   0      -8.376  -0.719  -1.602  1.00  0.00           H  
HETATM   65  H   UNK A   0      -9.025   0.057   0.642  1.00  0.00           H  
HETATM   66  H   UNK A   0      -7.306   0.445   2.360  1.00  0.00           H  
HETATM   67  H   UNK A   0      -4.933   0.050   1.842  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   17   25                                            
CONECT    4   26    2   33   34                                       
CONECT    5   26   27   35                                            
CONECT    6    7    7                                                 
CONECT    7    8    6    6   36                                       
CONECT    8   15    9    7   37                                       
CONECT    9   10    8   38   39                                       
CONECT   10   14   14   11    9                                       
CONECT   11   12   10   40                                            
CONECT   12   13   13   11   41                                       
CONECT   13   14   12   12                                            
CONECT   14   13   10   10   42                                       
CONECT   15   16    8   43                                            
CONECT   16   17   15   44   45                                       
CONECT   17    3   18   16   46                                       
CONECT   18   17   19   47   48                                       
CONECT   19   24   18   20   49                                       
CONECT   20   21   19   50   51                                       
CONECT   21   20   22   52   53                                       
CONECT   22   23   21   54   55                                       
CONECT   23   24   22   56   57                                       
CONECT   24   25   23   19   58                                       
CONECT   25    3   24   59   60                                       
CONECT   26    5    4   61   62                                       
CONECT   27    5   32   32   28                                       
CONECT   28   27   29   29   63                                       
CONECT   29   28   28   30   64                                       
CONECT   30   31   31   29   65                                       
CONECT   31   32   30   30   66                                       
CONECT   32   27   27   31   67                                       
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
