COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.458  -0.386  -0.002  1.00  0.00           C  
HETATM    2  O   UNL     1       2.150  -1.295   0.744  1.00  0.00           O  
HETATM    3  N   UNL     1       3.539  -0.505  -0.798  1.00  0.00           N  
HETATM    4  O   UNL     1       5.521   1.151  -1.827  1.00  0.00           O  
HETATM    5  O   UNL     1       7.097  -1.815   1.032  1.00  0.00           O  
HETATM    6  N   UNL     1       6.319  -0.335  -0.406  1.00  0.00           N  
HETATM    7  C   UNL     1       4.342  -1.730  -0.765  1.00  0.00           C  
HETATM    8  C   UNL     1       3.722  -2.772  -1.698  1.00  0.00           C  
HETATM    9  C   UNL     1       2.297  -3.084  -1.239  1.00  0.00           C  
HETATM   10  C   UNL     1       3.689  -2.222  -3.126  1.00  0.00           C  
HETATM   11  C   UNL     1       4.561  -4.051  -1.663  1.00  0.00           C  
HETATM   12  C   UNL     1       6.137   0.933  -0.806  1.00  0.00           C  
HETATM   13  C   UNL     1       6.684   2.089  -0.012  1.00  0.00           C  
HETATM   14  C   UNL     1       6.747   1.698   1.469  1.00  0.00           C  
HETATM   15  C   UNL     1       7.576   0.416   1.600  1.00  0.00           C  
HETATM   16  C   UNL     1       6.981  -0.650   0.718  1.00  0.00           C  
HETATM   17  C   UNL     1       5.768  -1.417  -1.225  1.00  0.00           C  
HETATM   18  C   UNL     1       5.331   1.451   1.995  1.00  0.00           C  
HETATM   19  C   UNL     1       7.408   2.822   2.270  1.00  0.00           C  
HETATM   20  N   UNL     1       1.716   0.739  -0.037  1.00  0.00           N  
HETATM   21  C   UNL     1       0.539   0.865   0.823  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.653   0.236   0.155  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.140   0.748  -0.831  1.00  0.00           O  
HETATM   24  C   UNL     1       0.265   2.333   1.133  1.00  0.00           C  
HETATM   25  C   UNL     1       0.119   3.152  -0.148  1.00  0.00           C  
HETATM   26  C   UNL     1       0.147   4.644   0.205  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.772   5.412  -0.746  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.155   5.564  -0.110  1.00  0.00           C  
HETATM   29  N   UNL     1      -1.176  -0.909   0.635  1.00  0.00           N  
HETATM   30  C   UNL     1      -0.549  -1.760   1.652  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.453  -1.492   0.226  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.541  -2.917   0.792  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.312  -3.088   1.698  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.453  -3.928   0.429  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.789  -5.412   0.605  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.535  -3.605  -0.750  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.599  -0.669   0.748  1.00  0.00           C  
HETATM   38  O   UNL     1      -4.595  -1.217   1.176  1.00  0.00           O  
HETATM   39  N   UNL     1      -3.497   0.689   0.749  1.00  0.00           N  
HETATM   40  C   UNL     1      -4.760   1.440   0.552  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.446   2.931   0.586  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.939   3.662  -0.658  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.586   5.152  -0.531  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.228   5.404  -1.188  1.00  0.00           C  
HETATM   45  O   UNL     1      -4.496   1.320  -1.844  1.00  0.00           O  
HETATM   46  C   UNL     1      -5.396   1.027  -0.773  1.00  0.00           C  
HETATM   47  O   UNL     1      -5.106  -1.195  -1.513  1.00  0.00           O  
HETATM   48  N   UNL     1      -6.594  -0.947   0.114  1.00  0.00           N  
HETATM   49  C   UNL     1      -6.877  -2.384   0.135  1.00  0.00           C  
HETATM   50  C   UNL     1      -7.919  -2.675   1.184  1.00  0.00           C  
HETATM   51  C   UNL     1      -9.017  -3.311   0.859  1.00  0.00           C  
HETATM   52  C   UNL     1      -5.687  -0.451  -0.751  1.00  0.00           C  
HETATM   53  H   UNL     1      -9.763  -3.520   1.611  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.175  -3.627  -0.162  1.00  0.00           H  
HETATM   55  H   UNL     1       3.785   0.221  -1.394  1.00  0.00           H  
HETATM   56  H   UNL     1       4.366  -2.121   0.252  1.00  0.00           H  
HETATM   57  H   UNL     1       1.699  -2.173  -1.263  1.00  0.00           H  
HETATM   58  H   UNL     1       1.855  -3.826  -1.903  1.00  0.00           H  
HETATM   59  H   UNL     1       2.320  -3.475  -0.221  1.00  0.00           H  
HETATM   60  H   UNL     1       4.705  -2.000  -3.453  1.00  0.00           H  
HETATM   61  H   UNL     1       3.247  -2.964  -3.791  1.00  0.00           H  
HETATM   62  H   UNL     1       3.091  -1.311  -3.151  1.00  0.00           H  
HETATM   63  H   UNL     1       4.585  -4.442  -0.646  1.00  0.00           H  
HETATM   64  H   UNL     1       4.120  -4.793  -2.328  1.00  0.00           H  
HETATM   65  H   UNL     1       5.577  -3.828  -1.991  1.00  0.00           H  
HETATM   66  H   UNL     1       7.685   2.334  -0.366  1.00  0.00           H  
HETATM   67  H   UNL     1       6.032   2.955  -0.133  1.00  0.00           H  
HETATM   68  H   UNL     1       8.602   0.613   1.291  1.00  0.00           H  
HETATM   69  H   UNL     1       7.564   0.079   2.636  1.00  0.00           H  
HETATM   70  H   UNL     1       5.753  -1.110  -2.270  1.00  0.00           H  
HETATM   71  H   UNL     1       6.388  -2.307  -1.116  1.00  0.00           H  
HETATM   72  H   UNL     1       4.868   0.644   1.427  1.00  0.00           H  
HETATM   73  H   UNL     1       5.379   1.173   3.048  1.00  0.00           H  
HETATM   74  H   UNL     1       4.739   2.359   1.886  1.00  0.00           H  
HETATM   75  H   UNL     1       6.825   3.737   2.161  1.00  0.00           H  
HETATM   76  H   UNL     1       7.451   2.541   3.322  1.00  0.00           H  
HETATM   77  H   UNL     1       8.418   2.988   1.896  1.00  0.00           H  
HETATM   78  H   UNL     1       1.962   1.464  -0.632  1.00  0.00           H  
HETATM   79  H   UNL     1       0.735   0.340   1.765  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.657   2.412   1.716  1.00  0.00           H  
HETATM   81  H   UNL     1       1.088   2.738   1.727  1.00  0.00           H  
HETATM   82  H   UNL     1       0.934   2.935  -0.834  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.833   2.919  -0.627  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.194   4.778   1.231  1.00  0.00           H  
HETATM   85  H   UNL     1       1.166   5.017   0.108  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.352   6.399  -0.940  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.862   4.867  -1.685  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.289   4.799   0.655  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.240   6.551   0.345  1.00  0.00           H  
HETATM   90  H   UNL     1       0.494  -1.944   1.387  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.593  -1.272   2.626  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.505  -1.530  -0.863  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.521  -3.269   1.103  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.383  -3.586   2.664  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.644  -5.668  -0.021  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.930  -6.016   0.312  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.032  -5.608   1.650  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.002  -2.675  -0.552  1.00  0.00           H  
HETATM   99  H   UNL     1       0.183  -4.415  -0.884  1.00  0.00           H  
HETATM  100  H   UNL     1      -1.132  -3.496  -1.656  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.652   1.155   0.839  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.445   1.197   1.371  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.914   3.375   1.472  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.363   3.066   0.674  1.00  0.00           H  
HETATM  105  H   UNL     1      -4.449   3.277  -1.551  1.00  0.00           H  
HETATM  106  H   UNL     1      -6.022   3.576  -0.747  1.00  0.00           H  
HETATM  107  H   UNL     1      -5.350   5.744  -1.033  1.00  0.00           H  
HETATM  108  H   UNL     1      -4.541   5.423   0.522  1.00  0.00           H  
HETATM  109  H   UNL     1      -3.277   6.314  -1.787  1.00  0.00           H  
HETATM  110  H   UNL     1      -2.972   4.563  -1.831  1.00  0.00           H  
HETATM  111  H   UNL     1      -3.646   0.862  -1.780  1.00  0.00           H  
HETATM  112  H   UNL     1      -6.325   1.579  -0.918  1.00  0.00           H  
HETATM  113  H   UNL     1      -7.058  -0.352   0.723  1.00  0.00           H  
HETATM  114  H   UNL     1      -7.248  -2.695  -0.841  1.00  0.00           H  
HETATM  115  H   UNL     1      -5.964  -2.931   0.368  1.00  0.00           H  
HETATM  116  H   UNL     1      -7.760  -2.359   2.205  1.00  0.00           H  
CONECT    1   20    3    2    2                                       
CONECT    2    1    1                                                 
CONECT    3    1    7   55                                            
CONECT    4   12   12                                                 
CONECT    5   16   16                                                 
CONECT    6   12   16   17                                            
CONECT    7    3   17    8   56                                       
CONECT    8    7    9   10   11                                       
CONECT    9    8   57   58   59                                       
CONECT   10    8   60   61   62                                       
CONECT   11    8   63   64   65                                       
CONECT   12    4    4    6   13                                       
CONECT   13   12   14   66   67                                       
CONECT   14   13   19   18   15                                       
CONECT   15   14   16   68   69                                       
CONECT   16    5    5    6   15                                       
CONECT   17    6    7   70   71                                       
CONECT   18   14   72   73   74                                       
CONECT   19   14   75   76   77                                       
CONECT   20    1   21   78                                            
CONECT   21   20   24   22   79                                       
CONECT   22   21   23   23   29                                       
CONECT   23   22   22                                                 
CONECT   24   21   25   80   81                                       
CONECT   25   24   26   82   83                                       
CONECT   26   25   27   84   85                                       
CONECT   27   26   28   86   87                                       
CONECT   28   27   44   88   89                                       
CONECT   29   22   30   31                                            
CONECT   30   29   33   90   91                                       
CONECT   31   29   37   32   92                                       
CONECT   32   31   33   34   93                                       
CONECT   33   30   32   34   94                                       
CONECT   34   32   33   36   35                                       
CONECT   35   34   95   96   97                                       
CONECT   36   34   98   99  100                                       
CONECT   37   31   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   40  101                                            
CONECT   40   39   41   46  102                                       
CONECT   41   40   42  103  104                                       
CONECT   42   41   43  105  106                                       
CONECT   43   42   44  107  108                                       
CONECT   44   28   43  109  110                                       
CONECT   45   46  111                                                 
CONECT   46   40   45   52  112                                       
CONECT   47   52   52                                                 
CONECT   48   49   52  113                                            
CONECT   49   48   50  114  115                                       
CONECT   50   49   51   51  116                                       
CONECT   51   50   50   54   53                                       
CONECT   52   46   47   47   48                                       
CONECT   53   51                                                      
CONECT   54   51                                                      
CONECT   55    3                                                      
CONECT   56    7                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   11                                                      
CONECT   65   11                                                      
CONECT   66   13                                                      
CONECT   67   13                                                      
CONECT   68   15                                                      
CONECT   69   15                                                      
CONECT   70   17                                                      
CONECT   71   17                                                      
CONECT   72   18                                                      
CONECT   73   18                                                      
CONECT   74   18                                                      
CONECT   75   19                                                      
CONECT   76   19                                                      
CONECT   77   19                                                      
CONECT   78   20                                                      
CONECT   79   21                                                      
CONECT   80   24                                                      
CONECT   81   24                                                      
CONECT   82   25                                                      
CONECT   83   25                                                      
CONECT   84   26                                                      
CONECT   85   26                                                      
CONECT   86   27                                                      
CONECT   87   27                                                      
CONECT   88   28                                                      
CONECT   89   28                                                      
CONECT   90   30                                                      
CONECT   91   30                                                      
CONECT   92   31                                                      
CONECT   93   32                                                      
CONECT   94   33                                                      
CONECT   95   35                                                      
CONECT   96   35                                                      
CONECT   97   35                                                      
CONECT   98   36                                                      
CONECT   99   36                                                      
CONECT  100   36                                                      
CONECT  101   39                                                      
CONECT  102   40                                                      
CONECT  103   41                                                      
CONECT  104   41                                                      
CONECT  105   42                                                      
CONECT  106   42                                                      
CONECT  107   43                                                      
CONECT  108   43                                                      
CONECT  109   44                                                      
CONECT  110   44                                                      
CONECT  111   45                                                      
CONECT  112   46                                                      
CONECT  113   48                                                      
CONECT  114   49                                                      
CONECT  115   49                                                      
CONECT  116   50                                                      
MASTER        0    0    0    0    0    0    0    0  116    0  116    0
END
