COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -7.545  -1.452   2.101  1.00  0.00           N  
HETATM    2  C   UNL     1      -8.478  -1.058  -3.662  1.00  0.00           C  
HETATM    3  N   UNL     1      -8.191  -4.922   1.087  1.00  0.00           N  
HETATM    4  C   UNL     1      -6.923  -0.654   1.282  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.080  -2.601   0.259  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.675  -2.673   1.530  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.115   0.376  -0.637  1.00  0.00           O  
HETATM    8  N   UNL     1      -7.076  -3.683  -0.514  1.00  0.00           N  
HETATM    9  O   UNL     1      -2.419   4.889  -1.533  1.00  0.00           O  
HETATM   10  P   UNL     1      -2.536   3.957  -0.389  1.00  0.00           P  
HETATM   11  O   UNL     1      -3.422   4.638   0.770  1.00  0.00           O  
HETATM   12  O   UNL     1      -3.243   2.595  -0.875  1.00  0.00           O  
HETATM   13  C   UNL     1      -4.514   2.569  -1.529  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.890   1.122  -1.853  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.916  -0.760  -1.030  1.00  0.00           C  
HETATM   16  N   UNL     1      -6.615  -1.317   0.131  1.00  0.00           N  
HETATM   17  C   UNL     1      -7.621  -4.807  -0.098  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.243  -3.895   1.929  1.00  0.00           C  
HETATM   19  N   UNL     1      -8.844  -4.025   3.169  1.00  0.00           N  
HETATM   20  C   UNL     1      -9.363  -5.386   3.362  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.913  -3.659   4.245  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.931  -0.194  -2.048  1.00  0.00           C  
HETATM   23  O   UNL     1      -7.169  -1.137  -3.095  1.00  0.00           O  
HETATM   24  C   UNL     1      -6.241   1.072  -2.602  1.00  0.00           C  
HETATM   25  O   UNL     1      -6.029   0.951  -4.010  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.068   3.625   0.184  1.00  0.00           O  
HETATM   27  P   UNL     1       0.228   4.517   0.525  1.00  0.00           P  
HETATM   28  O   UNL     1       0.030   5.224   1.958  1.00  0.00           O  
HETATM   29  O   UNL     1       0.402   5.553  -0.516  1.00  0.00           O  
HETATM   30  O   UNL     1       1.532   3.574   0.568  1.00  0.00           O  
HETATM   31  P   UNL     1       3.117   3.856   0.546  1.00  0.00           P  
HETATM   32  O   UNL     1       3.570   4.262  -0.945  1.00  0.00           O  
HETATM   33  O   UNL     1       3.434   4.963   1.476  1.00  0.00           O  
HETATM   34  O   UNL     1       3.905   2.529   1.004  1.00  0.00           O  
HETATM   35  C   UNL     1       5.322   2.489   1.187  1.00  0.00           C  
HETATM   36  C   UNL     1       5.740   1.083   1.621  1.00  0.00           C  
HETATM   37  C   UNL     1       7.257   1.038   1.909  1.00  0.00           C  
HETATM   38  O   UNL     1       7.504   1.153   3.312  1.00  0.00           O  
HETATM   39  C   UNL     1       7.697  -0.350   1.393  1.00  0.00           C  
HETATM   40  O   UNL     1       8.229  -1.137   2.461  1.00  0.00           O  
HETATM   41  C   UNL     1       6.393  -0.980   0.855  1.00  0.00           C  
HETATM   42  O   UNL     1       5.539   0.143   0.543  1.00  0.00           O  
HETATM   43  N   UNL     1       6.666  -1.764  -0.352  1.00  0.00           N  
HETATM   44  C   UNL     1       7.086  -3.066  -0.394  1.00  0.00           C  
HETATM   45  N   UNL     1       7.365  -3.987   0.536  1.00  0.00           N  
HETATM   46  C   UNL     1       7.759  -5.195   0.200  1.00  0.00           C  
HETATM   47  N   UNL     1       8.033  -6.106   1.189  1.00  0.00           N  
HETATM   48  N   UNL     1       7.902  -5.569  -1.103  1.00  0.00           N  
HETATM   49  C   UNL     1       7.638  -4.694  -2.097  1.00  0.00           C  
HETATM   50  O   UNL     1       7.763  -5.019  -3.266  1.00  0.00           O  
HETATM   51  C   UNL     1       7.214  -3.390  -1.750  1.00  0.00           C  
HETATM   52  N   UNL     1       6.872  -2.287  -2.460  1.00  0.00           N1+
HETATM   53  C   UNL     1       6.864  -2.190  -3.922  1.00  0.00           C  
HETATM   54  C   UNL     1       6.543  -1.332  -1.641  1.00  0.00           C  
HETATM   55  H   UNL     1      -8.579  -1.806  -4.449  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.222  -1.244  -2.887  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.633  -0.065  -4.082  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.686   0.380   1.484  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.540   4.083   1.553  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.269   3.002  -0.873  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.460   3.146  -2.452  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.108   0.651  -2.448  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.292  -1.521  -1.497  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.599  -5.667  -0.751  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.543  -6.101   3.293  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.829  -5.461   4.344  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.102  -5.606   2.591  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.598  -2.624   4.116  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.411  -3.771   5.208  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.041  -4.312   4.209  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.865   0.067  -1.551  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.834   1.959  -2.379  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.598   1.719  -4.410  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.090   4.603   2.690  1.00  0.00           H  
HETATM   75  H   UNL     1       3.392   3.581  -1.609  1.00  0.00           H  
HETATM   76  H   UNL     1       5.817   2.742   0.250  1.00  0.00           H  
HETATM   77  H   UNL     1       5.609   3.207   1.955  1.00  0.00           H  
HETATM   78  H   UNL     1       5.177   0.776   2.503  1.00  0.00           H  
HETATM   79  H   UNL     1       7.773   1.831   1.366  1.00  0.00           H  
HETATM   80  H   UNL     1       8.441   1.130   3.550  1.00  0.00           H  
HETATM   81  H   UNL     1       8.429  -0.245   0.593  1.00  0.00           H  
HETATM   82  H   UNL     1       9.049  -0.787   2.837  1.00  0.00           H  
HETATM   83  H   UNL     1       5.931  -1.606   1.618  1.00  0.00           H  
HETATM   84  H   UNL     1       7.936  -5.854   2.121  1.00  0.00           H  
HETATM   85  H   UNL     1       8.325  -7.001   0.957  1.00  0.00           H  
HETATM   86  H   UNL     1       8.194  -6.469  -1.317  1.00  0.00           H  
HETATM   87  H   UNL     1       5.884  -2.480  -4.300  1.00  0.00           H  
HETATM   88  H   UNL     1       7.080  -1.164  -4.219  1.00  0.00           H  
HETATM   89  H   UNL     1       7.624  -2.854  -4.334  1.00  0.00           H  
HETATM   90  H   UNL     1       6.228  -0.342  -1.936  1.00  0.00           H  
CONECT    1    4    4    6                                            
CONECT    2   23   55   56   57                                       
CONECT    3   17   17   18                                            
CONECT    4   16    1    1   58                                       
CONECT    5   16    8    8    6                                       
CONECT    6    5    1   18   18                                       
CONECT    7   14   15                                                 
CONECT    8    5    5   17                                            
CONECT    9   10   10                                                 
CONECT   10   12   26    9    9                                       
CONECT   10   11                                                      
CONECT   11   10   59                                                 
CONECT   12   13   10                                                 
CONECT   13   14   12   60   61                                       
CONECT   14   24   13    7   62                                       
CONECT   15   22    7   16   63                                       
CONECT   16   15    4    5                                            
CONECT   17    8    3    3   64                                       
CONECT   18    6    6    3   19                                       
CONECT   19   18   21   20                                            
CONECT   20   19   65   66   67                                       
CONECT   21   19   68   69   70                                       
CONECT   22   23   24   15   71                                       
CONECT   23    2   22                                                 
CONECT   24   25   22   14   72                                       
CONECT   25   24   73                                                 
CONECT   26   27   10                                                 
CONECT   27   29   29   28   26                                       
CONECT   27   30                                                      
CONECT   28   27   74                                                 
CONECT   29   27   27                                                 
CONECT   30   27   31                                                 
CONECT   31   33   33   30   32                                       
CONECT   31   34                                                      
CONECT   32   31   75                                                 
CONECT   33   31   31                                                 
CONECT   34   31   35                                                 
CONECT   35   36   34   76   77                                       
CONECT   36   42   37   35   78                                       
CONECT   37   39   36   38   79                                       
CONECT   38   37   80                                                 
CONECT   39   40   41   37   81                                       
CONECT   40   39   82                                                 
CONECT   41   43   39   42   83                                       
CONECT   42   41   36                                                 
CONECT   43   44   54   41                                            
CONECT   44   51   51   45   43                                       
CONECT   45   46   46   44                                            
CONECT   46   48   47   45   45                                       
CONECT   47   46   84   85                                            
CONECT   48   49   46   86                                            
CONECT   49   50   50   48   51                                       
CONECT   50   49   49                                                 
CONECT   51   49   52   44   44                                       
CONECT   52   53   51   54   54                                       
CONECT   53   52   87   88   89                                       
CONECT   54   52   52   43   90                                       
CONECT   55    2                                                      
CONECT   56    2                                                      
CONECT   57    2                                                      
CONECT   58    4                                                      
CONECT   59   11                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   17                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   28                                                      
CONECT   75   32                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   40                                                      
CONECT   83   41                                                      
CONECT   84   47                                                      
CONECT   85   47                                                      
CONECT   86   48                                                      
CONECT   87   53                                                      
CONECT   88   53                                                      
CONECT   89   53                                                      
CONECT   90   54                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
