COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.004  -3.959   1.539  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.421  -5.214   2.309  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.187  -6.449   1.437  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.019  -6.335   0.158  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.601  -5.081  -0.612  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.835  -3.846   0.260  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.418  -2.591  -0.510  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.342  -1.867   0.258  1.00  0.00           C  
HETATM    9  O   UNL     1      -1.600  -0.833   0.838  1.00  0.00           O  
HETATM   10  N   UNL     1      -0.094  -2.370   0.299  1.00  0.00           N  
HETATM   11  C   UNL     1       0.214  -3.612  -0.423  1.00  0.00           C  
HETATM   12  C   UNL     1       0.836  -4.634   0.519  1.00  0.00           C  
HETATM   13  C   UNL     1       1.804  -4.002   1.507  1.00  0.00           C  
HETATM   14  C   UNL     1       2.208  -2.592   1.089  1.00  0.00           C  
HETATM   15  C   UNL     1       0.962  -1.692   1.058  1.00  0.00           C  
HETATM   16  C   UNL     1       1.318  -0.388   0.402  1.00  0.00           C  
HETATM   17  O   UNL     1       1.160  -0.262  -0.789  1.00  0.00           O  
HETATM   18  O   UNL     1       1.808   0.640   1.113  1.00  0.00           O  
HETATM   19  C   UNL     1       2.312   1.776   0.367  1.00  0.00           C  
HETATM   20  C   UNL     1       3.814   1.598   0.138  1.00  0.00           C  
HETATM   21  C   UNL     1       4.053   0.382  -0.758  1.00  0.00           C  
HETATM   22  C   UNL     1       5.533   0.207  -0.984  1.00  0.00           C  
HETATM   23  C   UNL     1       6.275  -0.574  -0.118  1.00  0.00           C  
HETATM   24  C   UNL     1       6.144   0.824  -2.059  1.00  0.00           C  
HETATM   25  C   UNL     1       7.502   0.667  -2.271  1.00  0.00           C  
HETATM   26  C   UNL     1       8.252  -0.110  -1.404  1.00  0.00           C  
HETATM   27  O   UNL     1       9.587  -0.266  -1.610  1.00  0.00           O  
HETATM   28  C   UNL     1      10.151   0.400  -2.742  1.00  0.00           C  
HETATM   29  C   UNL     1       7.636  -0.736  -0.324  1.00  0.00           C  
HETATM   30  O   UNL     1       8.368  -1.499   0.531  1.00  0.00           O  
HETATM   31  C   UNL     1       7.669  -2.110   1.617  1.00  0.00           C  
HETATM   32  C   UNL     1       2.074   3.063   1.108  1.00  0.00           C  
HETATM   33  C   UNL     1       0.929   3.797   0.861  1.00  0.00           C  
HETATM   34  C   UNL     1       3.001   3.520   2.029  1.00  0.00           C  
HETATM   35  C   UNL     1       2.782   4.707   2.704  1.00  0.00           C  
HETATM   36  C   UNL     1       1.638   5.443   2.459  1.00  0.00           C  
HETATM   37  C   UNL     1       0.710   4.986   1.537  1.00  0.00           C  
HETATM   38  O   UNL     1      -0.422   5.702   1.290  1.00  0.00           O  
HETATM   39  C   UNL     1      -1.414   5.050   0.494  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.394   6.063  -0.037  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.642   5.711  -0.236  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.079   4.304   0.080  1.00  0.00           C  
HETATM   43  O   UNL     1      -5.174   3.939  -0.763  1.00  0.00           O  
HETATM   44  C   UNL     1      -5.897   2.794  -0.306  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.630   2.146  -1.483  1.00  0.00           C  
HETATM   46  O   UNL     1      -6.894   0.774  -1.180  1.00  0.00           O  
HETATM   47  C   UNL     1      -5.813  -0.038  -1.018  1.00  0.00           C  
HETATM   48  C   UNL     1      -5.002  -0.343  -2.105  1.00  0.00           C  
HETATM   49  O   UNL     1      -5.285   0.172  -3.332  1.00  0.00           O  
HETATM   50  C   UNL     1      -4.409  -0.184  -4.403  1.00  0.00           C  
HETATM   51  C   UNL     1      -3.904  -1.173  -1.937  1.00  0.00           C  
HETATM   52  C   UNL     1      -3.614  -1.692  -0.688  1.00  0.00           C  
HETATM   53  C   UNL     1      -4.417  -1.390   0.396  1.00  0.00           C  
HETATM   54  C   UNL     1      -5.518  -0.563   0.234  1.00  0.00           C  
HETATM   55  O   UNL     1      -6.308  -0.264   1.300  1.00  0.00           O  
HETATM   56  C   UNL     1      -5.944  -0.836   2.558  1.00  0.00           C  
HETATM   57  H   UNL     1      -2.170  -3.079   2.160  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.947  -4.027   1.281  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.829  -5.295   3.220  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.478  -5.147   2.568  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.130  -6.516   1.179  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.484  -7.343   1.986  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.852  -7.215  -0.463  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.075  -6.268   0.417  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.544  -5.148  -0.871  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.194  -5.000  -1.523  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.892  -3.779   0.518  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.032  -2.878  -1.488  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.704  -4.022  -0.843  1.00  0.00           H  
HETATM   70  H   UNL     1       0.915  -3.396  -1.229  1.00  0.00           H  
HETATM   71  H   UNL     1       0.041  -5.132   1.074  1.00  0.00           H  
HETATM   72  H   UNL     1       1.372  -5.377  -0.071  1.00  0.00           H  
HETATM   73  H   UNL     1       1.331  -3.959   2.488  1.00  0.00           H  
HETATM   74  H   UNL     1       2.698  -4.621   1.572  1.00  0.00           H  
HETATM   75  H   UNL     1       2.927  -2.194   1.805  1.00  0.00           H  
HETATM   76  H   UNL     1       2.660  -2.622   0.098  1.00  0.00           H  
HETATM   77  H   UNL     1       0.620  -1.520   2.076  1.00  0.00           H  
HETATM   78  H   UNL     1       1.807   1.821  -0.598  1.00  0.00           H  
HETATM   79  H   UNL     1       4.216   2.490  -0.344  1.00  0.00           H  
HETATM   80  H   UNL     1       4.312   1.448   1.096  1.00  0.00           H  
HETATM   81  H   UNL     1       3.652  -0.509  -0.276  1.00  0.00           H  
HETATM   82  H   UNL     1       3.555   0.533  -1.716  1.00  0.00           H  
HETATM   83  H   UNL     1       5.795  -1.058   0.720  1.00  0.00           H  
HETATM   84  H   UNL     1       5.560   1.430  -2.736  1.00  0.00           H  
HETATM   85  H   UNL     1       7.977   1.149  -3.112  1.00  0.00           H  
HETATM   86  H   UNL     1      11.220   0.193  -2.790  1.00  0.00           H  
HETATM   87  H   UNL     1       9.670   0.041  -3.652  1.00  0.00           H  
HETATM   88  H   UNL     1       9.993   1.475  -2.647  1.00  0.00           H  
HETATM   89  H   UNL     1       7.210  -1.338   2.234  1.00  0.00           H  
HETATM   90  H   UNL     1       6.895  -2.770   1.225  1.00  0.00           H  
HETATM   91  H   UNL     1       8.369  -2.689   2.220  1.00  0.00           H  
HETATM   92  H   UNL     1       0.206   3.443   0.141  1.00  0.00           H  
HETATM   93  H   UNL     1       3.896   2.947   2.222  1.00  0.00           H  
HETATM   94  H   UNL     1       3.507   5.061   3.422  1.00  0.00           H  
HETATM   95  H   UNL     1       1.467   6.370   2.986  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.932   4.541  -0.341  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.944   4.319   1.104  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.075   7.070  -0.252  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.352   6.426  -0.621  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.248   3.619  -0.089  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.390   4.246   1.123  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.203   2.076   0.129  1.00  0.00           H  
HETATM  103  H   UNL     1      -6.622   3.101   0.448  1.00  0.00           H  
HETATM  104  H   UNL     1      -7.571   2.668  -1.656  1.00  0.00           H  
HETATM  105  H   UNL     1      -6.009   2.209  -2.376  1.00  0.00           H  
HETATM  106  H   UNL     1      -3.398   0.150  -4.171  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.414  -1.266  -4.532  1.00  0.00           H  
HETATM  108  H   UNL     1      -4.747   0.293  -5.323  1.00  0.00           H  
HETATM  109  H   UNL     1      -3.274  -1.413  -2.781  1.00  0.00           H  
HETATM  110  H   UNL     1      -4.188  -1.799   1.369  1.00  0.00           H  
HETATM  111  H   UNL     1      -4.943  -0.503   2.832  1.00  0.00           H  
HETATM  112  H   UNL     1      -6.655  -0.518   3.320  1.00  0.00           H  
HETATM  113  H   UNL     1      -5.957  -1.923   2.480  1.00  0.00           H  
CONECT    1    2    6   57   58                                       
CONECT    2    1    3   59   60                                       
CONECT    3    2    4   61   62                                       
CONECT    4    3    5   63   64                                       
CONECT    5    6    4   65   66                                       
CONECT    6    1    7    5   67                                       
CONECT    7    8    6   52   68                                       
CONECT    8    9    9   10    7                                       
CONECT    9    8    8                                                 
CONECT   10   15    8   11                                            
CONECT   11   12   10   69   70                                       
CONECT   12   13   11   71   72                                       
CONECT   13   14   12   73   74                                       
CONECT   14   13   15   75   76                                       
CONECT   15   14   10   16   77                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19                                                 
CONECT   19   18   32   20   78                                       
CONECT   20   19   21   79   80                                       
CONECT   21   20   22   81   82                                       
CONECT   22   24   24   23   21                                       
CONECT   23   29   29   22   83                                       
CONECT   24   25   22   22   84                                       
CONECT   25   26   26   24   85                                       
CONECT   26   27   25   25   29                                       
CONECT   27   28   26                                                 
CONECT   28   27   86   87   88                                       
CONECT   29   26   30   23   23                                       
CONECT   30   31   29                                                 
CONECT   31   30   89   90   91                                       
CONECT   32   19   34   34   33                                       
CONECT   33   32   37   37   92                                       
CONECT   34   32   32   35   93                                       
CONECT   35   34   36   36   94                                       
CONECT   36   35   35   37   95                                       
CONECT   37   33   33   36   38                                       
CONECT   38   37   39                                                 
CONECT   39   38   40   96   97                                       
CONECT   40   39   41   41   98                                       
CONECT   41   40   40   42   99                                       
CONECT   42   41   43  100  101                                       
CONECT   43   44   42                                                 
CONECT   44   45   43  102  103                                       
CONECT   45   46   44  104  105                                       
CONECT   46   47   45                                                 
CONECT   47   48   48   54   46                                       
CONECT   48   51   49   47   47                                       
CONECT   49   50   48                                                 
CONECT   50   49  106  107  108                                       
CONECT   51   52   52   48  109                                       
CONECT   52    7   51   51   53                                       
CONECT   53   52   54   54  110                                       
CONECT   54   53   53   47   55                                       
CONECT   55   54   56                                                 
CONECT   56   55  111  112  113                                       
CONECT   57    1                                                      
CONECT   58    1                                                      
CONECT   59    2                                                      
CONECT   60    2                                                      
CONECT   61    3                                                      
CONECT   62    3                                                      
CONECT   63    4                                                      
CONECT   64    4                                                      
CONECT   65    5                                                      
CONECT   66    5                                                      
CONECT   67    6                                                      
CONECT   68    7                                                      
CONECT   69   11                                                      
CONECT   70   11                                                      
CONECT   71   12                                                      
CONECT   72   12                                                      
CONECT   73   13                                                      
CONECT   74   13                                                      
CONECT   75   14                                                      
CONECT   76   14                                                      
CONECT   77   15                                                      
CONECT   78   19                                                      
CONECT   79   20                                                      
CONECT   80   20                                                      
CONECT   81   21                                                      
CONECT   82   21                                                      
CONECT   83   23                                                      
CONECT   84   24                                                      
CONECT   85   25                                                      
CONECT   86   28                                                      
CONECT   87   28                                                      
CONECT   88   28                                                      
CONECT   89   31                                                      
CONECT   90   31                                                      
CONECT   91   31                                                      
CONECT   92   33                                                      
CONECT   93   34                                                      
CONECT   94   35                                                      
CONECT   95   36                                                      
CONECT   96   39                                                      
CONECT   97   39                                                      
CONECT   98   40                                                      
CONECT   99   41                                                      
CONECT  100   42                                                      
CONECT  101   42                                                      
CONECT  102   44                                                      
CONECT  103   44                                                      
CONECT  104   45                                                      
CONECT  105   45                                                      
CONECT  106   50                                                      
CONECT  107   50                                                      
CONECT  108   50                                                      
CONECT  109   51                                                      
CONECT  110   53                                                      
CONECT  111   56                                                      
CONECT  112   56                                                      
CONECT  113   56                                                      
MASTER        0    0    0    0    0    0    0    0  113    0  113    0
END
