COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   0       3.725  -1.693   6.779  1.00  0.00           N  
HETATM    2  C   UNK A   0       4.672  -0.883   6.355  1.00  0.00           C  
HETATM    3  N   UNK A   0       5.795  -1.414   5.775  1.00  0.00           N  
HETATM    4  N   UNK A   0       4.566   0.467   6.483  1.00  0.00           N  
HETATM    5  C   UNK A   0       3.467   1.011   7.048  1.00  0.00           C  
HETATM    6  O   UNK A   0       3.359   2.222   7.165  1.00  0.00           O  
HETATM    7  C   UNK A   0       2.456   0.156   7.502  1.00  0.00           C  
HETATM    8  N   UNK A   0       1.291   0.671   8.106  1.00  0.00           N  
HETATM    9  C   UNK A   0       0.120  -0.209   8.238  1.00  0.00           C  
HETATM   10  C   UNK A   0       0.610  -1.579   8.731  1.00  0.00           C  
HETATM   11  N   UNK A   0       1.621  -2.076   7.787  1.00  0.00           N  
HETATM   12  C   UNK A   0       2.614  -1.215   7.350  1.00  0.00           C  
HETATM   13  C   UNK A   0      -0.566  -0.363   6.880  1.00  0.00           C  
HETATM   14  N   UNK A   0      -1.001   0.950   6.401  1.00  0.00           N  
HETATM   15  C   UNK A   0      -2.957   1.289   2.744  1.00  0.00           C  
HETATM   16  C   UNK A   0      -2.714   2.429   3.516  1.00  0.00           C  
HETATM   17  C   UNK A   0      -2.066   2.313   4.725  1.00  0.00           C  
HETATM   18  C   UNK A   0      -1.654   1.064   5.179  1.00  0.00           C  
HETATM   19  C   UNK A   0      -1.891  -0.072   4.410  1.00  0.00           C  
HETATM   20  C   UNK A   0      -2.542   0.036   3.203  1.00  0.00           C  
HETATM   21  C   UNK A   0      -3.652   1.409   1.448  1.00  0.00           C  
HETATM   22  O   UNK A   0      -4.012   2.500   1.050  1.00  0.00           O  
HETATM   23  N   UNK A   1      -3.886   0.310   0.704  1.00  0.00           N  
HETATM   24  C   UNK A   1      -4.575   0.429  -0.582  1.00  0.00           C  
HETATM   25  C   UNK A   1      -4.092  -0.675  -1.524  1.00  0.00           C  
HETATM   26  C   UNK A   1      -2.583  -0.539  -1.738  1.00  0.00           C  
HETATM   27  C   UNK A   1      -6.061   0.295  -0.371  1.00  0.00           C  
HETATM   28  O   UNK A   1      -6.830   0.865  -1.107  1.00  0.00           O  
HETATM   29  O   UNK A   1      -6.530  -0.458   0.636  1.00  0.00           O  
HETATM   30  C   UNK A   0       1.251   1.943   8.551  1.00  0.00           C  
HETATM   31  O   UNK A   0       0.212   2.405   8.974  1.00  0.00           O  
HETATM   32  O   UNK A   1      -2.897  -2.433  -3.111  1.00  0.00           O  
HETATM   33  C   UNK A   1      -2.107  -1.627  -2.666  1.00  0.00           C  
HETATM   34  N   UNK A   1      -0.804  -1.705  -3.000  1.00  0.00           N  
HETATM   35  C   UNK A   1      -0.342  -2.764  -3.902  1.00  0.00           C  
HETATM   36  C   UNK A   1       0.866  -2.265  -4.696  1.00  0.00           C  
HETATM   37  C   UNK A   1       0.466  -1.036  -5.515  1.00  0.00           C  
HETATM   38  O   UNK A   1      -0.059  -5.079  -3.571  1.00  0.00           O  
HETATM   39  O   UNK A   1       0.526  -3.824  -1.849  1.00  0.00           O  
HETATM   40  C   UNK A   1       0.052  -3.974  -3.095  1.00  0.00           C  
HETATM   41  O   UNK A   1       2.720  -1.120  -6.209  1.00  0.00           O  
HETATM   42  C   UNK A   1       1.656  -0.544  -6.298  1.00  0.00           C  
HETATM   43  N   UNK A   1       1.539   0.535  -7.096  1.00  0.00           N  
HETATM   44  C   UNK A   1       2.696   1.013  -7.857  1.00  0.00           C  
HETATM   45  C   UNK A   1       2.218   1.672  -9.152  1.00  0.00           C  
HETATM   46  C   UNK A   1       1.444   0.651  -9.988  1.00  0.00           C  
HETATM   47  C   UNK A   1       0.973   1.300 -11.264  1.00  0.00           C  
HETATM   48  O   UNK A   1       1.230   2.460 -11.482  1.00  0.00           O  
HETATM   49  O   UNK A   1       0.268   0.589 -12.159  1.00  0.00           O  
HETATM   50  O   UNK A   1       4.652   2.136  -7.176  1.00  0.00           O  
HETATM   51  O   UNK A   1       2.811   2.783  -6.140  1.00  0.00           O  
HETATM   52  C   UNK A   1       3.458   2.018  -7.033  1.00  0.00           C  
HETATM   53  H   UNK A   0       5.885  -2.375   5.682  1.00  0.00           H  
HETATM   54  H   UNK A   0       6.499  -0.828   5.455  1.00  0.00           H  
HETATM   55  H   UNK A   0       5.279   1.040   6.160  1.00  0.00           H  
HETATM   56  H   UNK A   0      -0.578   0.213   8.959  1.00  0.00           H  
HETATM   57  H   UNK A   0       1.051  -1.477   9.722  1.00  0.00           H  
HETATM   58  H   UNK A   0      -0.227  -2.275   8.771  1.00  0.00           H  
HETATM   59  H   UNK A   0       1.594  -2.994   7.474  1.00  0.00           H  
HETATM   60  H   UNK A   0       0.132  -0.798   6.166  1.00  0.00           H  
HETATM   61  H   UNK A   0      -1.433  -1.017   6.984  1.00  0.00           H  
HETATM   62  H   UNK A   0      -0.832   1.742   6.936  1.00  0.00           H  
HETATM   63  H   UNK A   0      -3.033   3.398   3.164  1.00  0.00           H  
HETATM   64  H   UNK A   0      -1.878   3.193   5.322  1.00  0.00           H  
HETATM   65  H   UNK A   0      -1.569  -1.040   4.764  1.00  0.00           H  
HETATM   66  H   UNK A   0      -2.730  -0.846   2.608  1.00  0.00           H  
HETATM   67  H   UNK A   1      -3.598  -0.560   1.021  1.00  0.00           H  
HETATM   68  H   UNK A   1      -4.357   1.402  -1.022  1.00  0.00           H  
HETATM   69  H   UNK A   1      -4.310  -1.648  -1.084  1.00  0.00           H  
HETATM   70  H   UNK A   1      -4.605  -0.587  -2.481  1.00  0.00           H  
HETATM   71  H   UNK A   1      -2.365   0.433  -2.178  1.00  0.00           H  
HETATM   72  H   UNK A   1      -2.070  -0.628  -0.781  1.00  0.00           H  
HETATM   73  H   UNK A   1      -7.484  -0.544   0.771  1.00  0.00           H  
HETATM   74  H   UNK A   0       2.144   2.550   8.532  1.00  0.00           H  
HETATM   75  H   UNK A   1      -0.173  -1.061  -2.644  1.00  0.00           H  
HETATM   76  H   UNK A   1      -1.144  -3.031  -4.590  1.00  0.00           H  
HETATM   77  H   UNK A   1       1.668  -1.997  -4.008  1.00  0.00           H  
HETATM   78  H   UNK A   1       1.210  -3.052  -5.367  1.00  0.00           H  
HETATM   79  H   UNK A   1      -0.335  -1.303  -6.203  1.00  0.00           H  
HETATM   80  H   UNK A   1       0.122  -0.248  -4.844  1.00  0.00           H  
HETATM   81  H   UNK A   1       0.779  -4.601  -1.331  1.00  0.00           H  
HETATM   82  H   UNK A   1       0.688   0.995  -7.167  1.00  0.00           H  
HETATM   83  H   UNK A   1       3.346   0.171  -8.096  1.00  0.00           H  
HETATM   84  H   UNK A   1       1.568   2.513  -8.913  1.00  0.00           H  
HETATM   85  H   UNK A   1       3.079   2.027  -9.718  1.00  0.00           H  
HETATM   86  H   UNK A   1       2.094  -0.190 -10.228  1.00  0.00           H  
HETATM   87  H   UNK A   1       0.583   0.295  -9.422  1.00  0.00           H  
HETATM   88  H   UNK A   1      -0.033   1.006 -12.977  1.00  0.00           H  
HETATM   89  H   UNK A   1       3.300   3.429  -5.611  1.00  0.00           H  
CONECT    1    2    2   12                                            
CONECT    2    1    1    3    4                                       
CONECT    3    2   53   54                                            
CONECT    4    2    5   55                                            
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8   12   12                                       
CONECT    8    7    9   30                                            
CONECT    9    8   10   13   56                                       
CONECT   10    9   11   57   58                                       
CONECT   11   10   12   59                                            
CONECT   12    1    7    7   11                                       
CONECT   13    9   14   60   61                                       
CONECT   14   13   18   62                                            
CONECT   15   16   16   20   21                                       
CONECT   16   15   15   17   63                                       
CONECT   17   16   18   18   64                                       
CONECT   18   14   17   17   19                                       
CONECT   19   18   20   20   65                                       
CONECT   20   15   19   19   66                                       
CONECT   21   15   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   67                                            
CONECT   24   23   25   27   68                                       
CONECT   25   24   26   69   70                                       
CONECT   26   25   33   71   72                                       
CONECT   27   24   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   73                                                 
CONECT   30    8   31   31   74                                       
CONECT   31   30   30                                                 
CONECT   32   33   33                                                 
CONECT   33   26   32   32   34                                       
CONECT   34   33   35   75                                            
CONECT   35   34   36   40   76                                       
CONECT   36   35   37   77   78                                       
CONECT   37   36   42   79   80                                       
CONECT   38   40   40                                                 
CONECT   39   40   81                                                 
CONECT   40   35   38   38   39                                       
CONECT   41   42   42                                                 
CONECT   42   37   41   41   43                                       
CONECT   43   42   44   82                                            
CONECT   44   43   45   52   83                                       
CONECT   45   44   46   84   85                                       
CONECT   46   45   47   86   87                                       
CONECT   47   46   48   48   49                                       
CONECT   48   47   47                                                 
CONECT   49   47   88                                                 
CONECT   50   52   52                                                 
CONECT   51   52   89                                                 
CONECT   52   44   50   50   51                                       
CONECT   53    3                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   36                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   37                                                      
CONECT   81   39                                                      
CONECT   82   43                                                      
CONECT   83   44                                                      
CONECT   84   45                                                      
CONECT   85   45                                                      
CONECT   86   46                                                      
CONECT   87   46                                                      
CONECT   88   49                                                      
CONECT   89   51                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
