COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
ATOM      1  N   GLN A   1      -4.825   2.082   5.646  1.00  0.00           N  
ATOM      2  CD  GLN A   1      -4.151   2.930   6.512  1.00  0.00           C  
ATOM      3  OE1 GLN A   1      -3.561   3.954   6.179  1.00  0.00           O  
ATOM      4  CG  GLN A   1      -4.252   2.456   7.952  1.00  0.00           C  
ATOM      5  CB  GLN A   1      -3.042   2.835   8.808  1.00  0.00           C  
ATOM      6  CA  GLN A   1      -1.718   2.288   8.267  1.00  0.00           C  
ATOM      7  C   GLN A   1      -0.568   2.725   9.153  1.00  0.00           C  
ATOM      8  O   GLN A   1      -0.022   3.896   8.731  1.00  0.00           O  
ATOM      9  OXT GLN A   1      -0.187   2.138  10.157  1.00  0.00           O  
ATOM     10  N   GLN A   1      -1.689   0.848   8.239  1.00  0.00           N  
HETATM   11  C   UNK A   0      -1.453   0.128   7.076  1.00  0.00           C  
HETATM   12  O   UNK A   0      -1.248   0.627   5.973  1.00  0.00           O  
HETATM   13  C   UNK A   0      -1.481  -1.352   7.209  1.00  0.00           C  
HETATM   14  C   UNK A   0      -1.816  -2.113   6.108  1.00  0.00           C  
HETATM   15  C   UNK A   0      -1.842  -3.502   6.232  1.00  0.00           C  
HETATM   16  C   UNK A   0      -1.171  -1.917   8.428  1.00  0.00           C  
HETATM   17  C   UNK A   0      -1.197  -3.306   8.552  1.00  0.00           C  
HETATM   18  C   UNK A   0      -1.532  -4.099   7.454  1.00  0.00           C  
HETATM   19  C   UNK A   0      -1.560  -5.584   7.587  1.00  0.00           C  
HETATM   20  C   UNK A   0      -0.173  -6.239   7.942  1.00  0.00           C  
HETATM   21  C   UNK A   0       0.909  -5.967   6.901  1.00  0.00           C  
HETATM   22  F   UNK A   0       1.136  -4.643   6.763  1.00  0.00           F  
HETATM   23  F   UNK A   0       0.535  -6.444   5.691  1.00  0.00           F  
HETATM   24  F   UNK A   0       2.081  -6.558   7.215  1.00  0.00           F  
HETATM   25  O   UNK A   0      -0.363  -7.659   8.015  1.00  0.00           O  
HETATM   26  O   UNK A   0       0.256  -5.763   9.216  1.00  0.00           O  
HETATM   27  C   UNK A   0      -2.665  -6.080   8.581  1.00  0.00           C  
HETATM   28  C   UNK A   0      -4.077  -5.649   8.151  1.00  0.00           C  
HETATM   29  C   UNK A   0      -5.161  -6.088   9.143  1.00  0.00           C  
HETATM   30  C   UNK A   0      -6.562  -5.750   8.697  1.00  0.00           C  
HETATM   31  C   UNK A   0      -7.313  -6.613   7.944  1.00  0.00           C  
HETATM   32  N   UNK A   0      -6.758  -7.862   7.574  1.00  0.00           N  
HETATM   33  C   UNK A   0      -7.137  -4.553   9.032  1.00  0.00           C  
HETATM   34  O   UNK A   0      -6.450  -3.635   9.783  1.00  0.00           O  
HETATM   35  N   UNK A   0      -8.386  -4.206   8.657  1.00  0.00           N  
HETATM   36  C   UNK A   0      -9.035  -5.128   7.921  1.00  0.00           C  
HETATM   37  N   UNK A   0     -10.345  -4.799   7.510  1.00  0.00           N  
HETATM   38  N   UNK A   0      -8.567  -6.331   7.535  1.00  0.00           N  
ATOM     39  OE1 GLN A   1      -3.354   6.367   9.016  1.00  0.00           O  
ATOM     40  OE2 GLN A   1      -2.535   7.401   7.167  1.00  0.00           O  
ATOM     41  CD  GLN A   1      -3.471   6.897   7.774  1.00  0.00           C  
ATOM     42  CG  GLN A   1      -4.876   6.810   7.233  1.00  0.00           C  
ATOM     43  CB  GLN A   1      -5.020   7.315   5.794  1.00  0.00           C  
ATOM     44  CA  GLN A   1      -6.411   7.161   5.157  1.00  0.00           C  
ATOM     45  C   GLN A   1      -7.461   7.999   5.863  1.00  0.00           C  
ATOM     46  O   GLN A   1      -7.439   9.218   5.977  1.00  0.00           O  
ATOM     47  OXT GLN A   1      -8.461   7.234   6.376  1.00  0.00           O  
ATOM     48  N   GLN A   1      -6.859   5.788   5.154  1.00  0.00           N  
ATOM     49  OE1 GLN A   1      -5.964   5.201   3.094  1.00  0.00           O  
ATOM     50  CD  GLN A   1      -6.594   4.916   4.109  1.00  0.00           C  
ATOM     51  CG  GLN A   1      -7.155   3.530   4.380  1.00  0.00           C  
ATOM     52  CB  GLN A   1      -6.350   2.404   3.726  1.00  0.00           C  
ATOM     53  CA  GLN A   1      -4.905   2.322   4.223  1.00  0.00           C  
ATOM     54  C   GLN A   1      -4.183   1.171   3.551  1.00  0.00           C  
ATOM     55  O   GLN A   1      -4.188   0.010   3.939  1.00  0.00           O  
ATOM     56  OXT GLN A   1      -3.470   1.583   2.470  1.00  0.00           O  
ATOM     57  H   GLN A   1      -5.281   1.258   6.027  1.00  0.00           H  
ATOM     58  HG1 GLN A   1      -4.413   1.372   7.967  1.00  0.00           H  
ATOM     59  HG2 GLN A   1      -5.147   2.925   8.380  1.00  0.00           H  
ATOM     60  HB1 GLN A   1      -3.204   2.453   9.825  1.00  0.00           H  
ATOM     61  HB2 GLN A   1      -2.983   3.927   8.898  1.00  0.00           H  
ATOM     62  HA  GLN A   1      -1.525   2.614   7.240  1.00  0.00           H  
ATOM     63  H   GLN A   1       0.706   4.243   9.291  1.00  0.00           H  
ATOM     64  H   GLN A   1      -1.913   0.360   9.103  1.00  0.00           H  
HETATM   65  H   UNK A   0      -2.060  -1.659   5.151  1.00  0.00           H  
HETATM   66  H   UNK A   0      -2.105  -4.112   5.372  1.00  0.00           H  
HETATM   67  H   UNK A   0      -0.909  -1.310   9.290  1.00  0.00           H  
HETATM   68  H   UNK A   0      -0.954  -3.762   9.509  1.00  0.00           H  
HETATM   69  H   UNK A   0      -1.847  -6.035   6.613  1.00  0.00           H  
HETATM   70  H   UNK A   0       0.501  -8.084   7.883  1.00  0.00           H  
HETATM   71  H   UNK A   0       1.223  -5.852   9.262  1.00  0.00           H  
HETATM   72  H   UNK A   0      -2.654  -7.175   8.651  1.00  0.00           H  
HETATM   73  H   UNK A   0      -2.453  -5.704   9.588  1.00  0.00           H  
HETATM   74  H   UNK A   0      -4.121  -4.563   8.013  1.00  0.00           H  
HETATM   75  H   UNK A   0      -4.302  -6.101   7.177  1.00  0.00           H  
HETATM   76  H   UNK A   0      -4.961  -5.649  10.129  1.00  0.00           H  
HETATM   77  H   UNK A   0      -5.101  -7.174   9.284  1.00  0.00           H  
HETATM   78  H   UNK A   0      -7.373  -8.618   7.362  1.00  0.00           H  
HETATM   79  H   UNK A   0      -5.770  -7.985   7.625  1.00  0.00           H  
HETATM   80  H   UNK A   0      -7.071  -3.010  10.183  1.00  0.00           H  
HETATM   81  H   UNK A   0     -11.121  -5.206   7.989  1.00  0.00           H  
HETATM   82  H   UNK A   0     -10.472  -4.243   6.690  1.00  0.00           H  
ATOM     83  HE1 GLN A   1      -2.455   6.413   9.407  1.00  0.00           H  
ATOM     84  HG1 GLN A   1      -5.544   7.351   7.912  1.00  0.00           H  
ATOM     85  HG2 GLN A   1      -5.184   5.759   7.289  1.00  0.00           H  
ATOM     86  HB1 GLN A   1      -4.718   8.369   5.738  1.00  0.00           H  
ATOM     87  HB2 GLN A   1      -4.297   6.762   5.180  1.00  0.00           H  
ATOM     88  HA  GLN A   1      -6.368   7.490   4.111  1.00  0.00           H  
ATOM     89  HXT GLN A   1      -9.167   7.727   6.846  1.00  0.00           H  
ATOM     90  H   GLN A   1      -7.391   5.448   5.950  1.00  0.00           H  
ATOM     91  HG1 GLN A   1      -8.202   3.493   4.061  1.00  0.00           H  
ATOM     92  HG2 GLN A   1      -7.140   3.387   5.467  1.00  0.00           H  
ATOM     93  HB1 GLN A   1      -6.352   2.564   2.640  1.00  0.00           H  
ATOM     94  HB2 GLN A   1      -6.857   1.445   3.894  1.00  0.00           H  
ATOM     95  HA  GLN A   1      -4.351   3.248   4.042  1.00  0.00           H  
ATOM     96  HXT GLN A   1      -2.954   0.883   2.017  1.00  0.00           H  
CONECT    1    2   53   57                                            
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   58   59                                       
CONECT    5    4    6   60   61                                       
CONECT    6    5    7   10   62                                       
CONECT    7    6    8    9    9                                       
CONECT    8    7   63                                                 
CONECT    9    7    7                                                 
CONECT   10    6   11   64                                            
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   14   16                                       
CONECT   14   13   13   15   65                                       
CONECT   15   14   18   18   66                                       
CONECT   16   13   17   17   67                                       
CONECT   17   16   16   18   68                                       
CONECT   18   15   15   17   19                                       
CONECT   19   18   20   27   69                                       
CONECT   20   19   21   25   26                                       
CONECT   21   20   22   23   24                                       
CONECT   22   21                                                      
CONECT   23   21                                                      
CONECT   24   21                                                      
CONECT   25   20   70                                                 
CONECT   26   20   71                                                 
CONECT   27   19   28   72   73                                       
CONECT   28   27   29   74   75                                       
CONECT   29   28   30   76   77                                       
CONECT   30   29   31   31   33                                       
CONECT   31   30   30   32   38                                       
CONECT   32   31   78   79                                            
CONECT   33   30   34   35   35                                       
CONECT   34   33   80                                                 
CONECT   35   33   33   36                                            
CONECT   36   35   37   38   38                                       
CONECT   37   36   81   82                                            
CONECT   38   31   36   36                                            
CONECT   39   41   83                                                 
CONECT   40   41   41                                                 
CONECT   41   39   40   40   42                                       
CONECT   42   41   43   84   85                                       
CONECT   43   42   44   86   87                                       
CONECT   44   43   45   48   88                                       
CONECT   45   44   46   46   47                                       
CONECT   46   45   45                                                 
CONECT   47   45   89                                                 
CONECT   48   44   50   90                                            
CONECT   49   50   50                                                 
CONECT   50   48   49   49   51                                       
CONECT   51   50   52   91   92                                       
CONECT   52   51   53   93   94                                       
CONECT   53    1   52   54   95                                       
CONECT   54   53   55   55   56                                       
CONECT   55   54   54                                                 
CONECT   56   54   96                                                 
CONECT   57    1                                                      
CONECT   58    4                                                      
CONECT   59    4                                                      
CONECT   60    5                                                      
CONECT   61    5                                                      
CONECT   62    6                                                      
CONECT   63    8                                                      
CONECT   64   10                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   19                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   34                                                      
CONECT   81   37                                                      
CONECT   82   37                                                      
CONECT   83   39                                                      
CONECT   84   42                                                      
CONECT   85   42                                                      
CONECT   86   43                                                      
CONECT   87   43                                                      
CONECT   88   44                                                      
CONECT   89   47                                                      
CONECT   90   48                                                      
CONECT   91   51                                                      
CONECT   92   51                                                      
CONECT   93   52                                                      
CONECT   94   52                                                      
CONECT   95   53                                                      
CONECT   96   56                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
