COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.078   0.175  -0.414  1.00  0.00           C  
HETATM    2  O   UNL     1       1.305   1.252   0.497  1.00  0.00           O  
HETATM    3  C   UNL     1       9.655  -1.732  -0.563  1.00  0.00           C  
HETATM    4  C   UNL     1       1.098  -1.150   0.350  1.00  0.00           C  
HETATM    5  N   UNL     1       0.105  -1.105   1.432  1.00  0.00           N  
HETATM    6  C   UNL     1      10.186  -2.984  -0.314  1.00  0.00           C  
HETATM    7  C   UNL     1       2.492  -1.381   0.947  1.00  0.00           C  
HETATM    8  O   UNL     1       2.537  -2.660   1.582  1.00  0.00           O  
HETATM    9  C   UNL     1       7.229  -1.551  -0.081  1.00  0.00           C  
HETATM   10  C   UNL     1      11.440  -3.102   0.257  1.00  0.00           C  
HETATM   11  C   UNL     1       3.517  -1.334  -0.186  1.00  0.00           C  
HETATM   12  O   UNL     1       4.845  -1.489   0.313  1.00  0.00           O  
HETATM   13  C   UNL     1       8.289  -1.603  -1.184  1.00  0.00           C  
HETATM   14  C   UNL     1      12.163  -1.969   0.577  1.00  0.00           C  
HETATM   15  C   UNL     1       3.414   0.029  -0.884  1.00  0.00           C  
HETATM   16  O   UNL     1       2.100   0.177  -1.417  1.00  0.00           O  
HETATM   17  C   UNL     1      11.633  -0.717   0.328  1.00  0.00           C  
HETATM   18  C   UNL     1       4.470   0.087  -1.989  1.00  0.00           C  
HETATM   19  O   UNL     1       5.751  -0.173  -1.402  1.00  0.00           O  
HETATM   20  C   UNL     1      10.376  -0.599  -0.236  1.00  0.00           C  
HETATM   21  C   UNL     1       5.842  -1.420  -0.713  1.00  0.00           C  
HETATM   22  C   UNL     1       0.234   5.339   0.252  1.00  0.00           C  
HETATM   23  C   UNL     1       1.699   4.959   0.027  1.00  0.00           C  
HETATM   24  C   UNL     1       1.963   3.574   0.622  1.00  0.00           C  
HETATM   25  C   UNL     1       1.058   2.545  -0.059  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.406   2.926   0.166  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.671   4.310  -0.429  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.020   6.669  -0.319  1.00  0.00           N  
HETATM   29  N   UNL     1       3.369   3.209   0.406  1.00  0.00           N  
HETATM   30  O   UNL     1      -1.251   1.965  -0.470  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.039   4.666  -0.219  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.634   0.563   1.762  1.00  0.00           C  
HETATM   33  O   UNL     1      -2.342   1.127   1.446  1.00  0.00           O  
HETATM   34  C   UNL     1      -2.515   1.786   0.173  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.405   0.828  -0.649  1.00  0.00           C  
HETATM   36  O   UNL     1      -4.327   1.567  -1.453  1.00  0.00           O  
HETATM   37  C   UNL     1      -4.158   0.005   0.420  1.00  0.00           C  
HETATM   38  O   UNL     1      -5.568   0.211   0.310  1.00  0.00           O  
HETATM   39  C   UNL     1      -3.487  -0.563   2.786  1.00  0.00           C  
HETATM   40  O   UNL     1      -3.042  -0.021   4.031  1.00  0.00           O  
HETATM   41  C   UNL     1      -6.853  -3.040  -0.694  1.00  0.00           C  
HETATM   42  O   UNL     1      -6.236  -2.014   0.087  1.00  0.00           O  
HETATM   43  C   UNL     1      -6.228  -0.730  -0.540  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.669  -0.274  -0.784  1.00  0.00           C  
HETATM   45  N   UNL     1      -8.365  -0.136   0.502  1.00  0.00           N  
HETATM   46  C   UNL     1      -8.387  -1.317  -1.646  1.00  0.00           C  
HETATM   47  O   UNL     1      -7.750  -1.405  -2.921  1.00  0.00           O  
HETATM   48  C   UNL     1      -8.319  -2.677  -0.944  1.00  0.00           C  
HETATM   49  O   UNL     1      -9.013  -2.606   0.303  1.00  0.00           O  
HETATM   50  C   UNL     1      -6.778  -4.369   0.061  1.00  0.00           C  
HETATM   51  N   UNL     1      -5.371  -4.717   0.302  1.00  0.00           N  
HETATM   52  H   UNL     1       0.106   0.303  -0.891  1.00  0.00           H  
HETATM   53  H   UNL     1       0.856  -1.965  -0.331  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.823  -0.957   1.065  1.00  0.00           H  
HETATM   55  H   UNL     1       0.143  -1.943   1.993  1.00  0.00           H  
HETATM   56  H   UNL     1       9.621  -3.870  -0.564  1.00  0.00           H  
HETATM   57  H   UNL     1       2.712  -0.601   1.677  1.00  0.00           H  
HETATM   58  H   UNL     1       1.899  -2.764   2.302  1.00  0.00           H  
HETATM   59  H   UNL     1       7.275  -2.466   0.509  1.00  0.00           H  
HETATM   60  H   UNL     1       7.418  -0.693   0.563  1.00  0.00           H  
HETATM   61  H   UNL     1      11.854  -4.080   0.452  1.00  0.00           H  
HETATM   62  H   UNL     1       3.303  -2.127  -0.903  1.00  0.00           H  
HETATM   63  H   UNL     1       8.243  -0.688  -1.775  1.00  0.00           H  
HETATM   64  H   UNL     1       8.100  -2.462  -1.829  1.00  0.00           H  
HETATM   65  H   UNL     1      13.142  -2.061   1.024  1.00  0.00           H  
HETATM   66  H   UNL     1       3.604   0.822  -0.161  1.00  0.00           H  
HETATM   67  H   UNL     1      12.197   0.169   0.579  1.00  0.00           H  
HETATM   68  H   UNL     1       4.252  -0.668  -2.745  1.00  0.00           H  
HETATM   69  H   UNL     1       4.469   1.077  -2.446  1.00  0.00           H  
HETATM   70  H   UNL     1       9.961   0.380  -0.431  1.00  0.00           H  
HETATM   71  H   UNL     1       5.689  -2.235  -1.421  1.00  0.00           H  
HETATM   72  H   UNL     1       0.023   5.357   1.321  1.00  0.00           H  
HETATM   73  H   UNL     1       1.909   4.941  -1.042  1.00  0.00           H  
HETATM   74  H   UNL     1       2.343   5.692   0.512  1.00  0.00           H  
HETATM   75  H   UNL     1       1.752   3.592   1.691  1.00  0.00           H  
HETATM   76  H   UNL     1       1.269   2.528  -1.128  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.617   2.944   1.235  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.460   4.293  -1.498  1.00  0.00           H  
HETATM   79  H   UNL     1       0.566   7.366   0.114  1.00  0.00           H  
HETATM   80  H   UNL     1       0.106   6.662  -1.320  1.00  0.00           H  
HETATM   81  H   UNL     1       3.987   3.927   0.753  1.00  0.00           H  
HETATM   82  H   UNL     1       3.580   2.317   0.827  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.278   5.534  -0.572  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.303   1.336   2.141  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.013   2.746   0.307  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.793   0.177  -1.273  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.906   2.148  -2.102  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.920  -1.054   0.325  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.450  -1.054   2.928  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.759  -1.290   2.426  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.927  -0.680   4.729  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.333  -3.134  -1.647  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.701  -0.793  -1.492  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.665   0.686  -1.301  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.906   0.544   1.090  1.00  0.00           H  
HETATM   96  H   UNL     1      -9.336   0.102   0.364  1.00  0.00           H  
HETATM   97  H   UNL     1      -9.429  -1.026  -1.778  1.00  0.00           H  
HETATM   98  H   UNL     1      -8.153  -2.048  -3.520  1.00  0.00           H  
HETATM   99  H   UNL     1      -8.780  -3.436  -1.575  1.00  0.00           H  
HETATM  100  H   UNL     1      -9.948  -2.376   0.220  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.298  -4.276   1.014  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.248  -5.152  -0.535  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.896  -3.977   0.797  1.00  0.00           H  
HETATM  104  H   UNL     1      -5.295  -5.591   0.799  1.00  0.00           H  
CONECT    1    2    4   16   52                                       
CONECT    2    1   25                                                 
CONECT    3    6    6   13   20                                       
CONECT    4    1    5    7   53                                       
CONECT    5    4   54   55                                            
CONECT    6    3    3   10   56                                       
CONECT    7    4    8   11   57                                       
CONECT    8    7   58                                                 
CONECT    9   13   21   59   60                                       
CONECT   10    6   14   14   61                                       
CONECT   11    7   12   15   62                                       
CONECT   12   11   21                                                 
CONECT   13    3    9   63   64                                       
CONECT   14   10   10   17   65                                       
CONECT   15   11   16   18   66                                       
CONECT   16    1   15                                                 
CONECT   17   14   20   20   67                                       
CONECT   18   15   19   68   69                                       
CONECT   19   18   21                                                 
CONECT   20    3   17   17   70                                       
CONECT   21    9   12   19   71                                       
CONECT   22   28   23   27   72                                       
CONECT   23   22   24   73   74                                       
CONECT   24   23   29   25   75                                       
CONECT   25    2   24   26   76                                       
CONECT   26   25   30   27   77                                       
CONECT   27   22   26   31   78                                       
CONECT   28   22   79   80                                            
CONECT   29   24   81   82                                            
CONECT   30   34   26                                                 
CONECT   31   27   83                                                 
CONECT   32   37   33   39   84                                       
CONECT   33   34   32                                                 
CONECT   34   35   33   30   85                                       
CONECT   35   34   36   37   86                                       
CONECT   36   35   87                                                 
CONECT   37   35   38   32   88                                       
CONECT   38   43   37                                                 
CONECT   39   32   40   89   90                                       
CONECT   40   39   91                                                 
CONECT   41   48   42   50   92                                       
CONECT   42   43   41                                                 
CONECT   43   44   38   42   93                                       
CONECT   44   43   45   46   94                                       
CONECT   45   44   95   96                                            
CONECT   46   44   47   48   97                                       
CONECT   47   46   98                                                 
CONECT   48   46   49   41   99                                       
CONECT   49   48  100                                                 
CONECT   50   41   51  101  102                                       
CONECT   51   50  103  104                                            
CONECT   52    1                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   13                                                      
CONECT   64   13                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   18                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   28                                                      
CONECT   81   29                                                      
CONECT   82   29                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   36                                                      
CONECT   88   37                                                      
CONECT   89   39                                                      
CONECT   90   39                                                      
CONECT   91   40                                                      
CONECT   92   41                                                      
CONECT   93   43                                                      
CONECT   94   44                                                      
CONECT   95   45                                                      
CONECT   96   45                                                      
CONECT   97   46                                                      
CONECT   98   47                                                      
CONECT   99   48                                                      
CONECT  100   49                                                      
CONECT  101   50                                                      
CONECT  102   50                                                      
CONECT  103   51                                                      
CONECT  104   51                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
