COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.354  -2.542  -0.225  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.217  -2.132  -0.349  1.00  0.00           O  
HETATM    3  C   UNL     1      -5.517  -1.642  -0.382  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.355  -0.335  -0.618  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.010   0.263  -0.723  1.00  0.00           C  
HETATM    6  O   UNL     1      -3.010  -0.409  -0.566  1.00  0.00           O  
HETATM    7  C   UNL     1      -5.795   5.615   4.556  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.646   4.319   5.016  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.886   3.414   4.303  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.269   3.809   3.115  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.424   5.118   2.657  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.191   6.011   3.377  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.454   2.845   2.347  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.869   3.223   1.219  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.038   2.240   0.435  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.557   2.164  -1.002  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.659   1.270  -1.817  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.123   0.387  -2.507  1.00  0.00           O  
HETATM   19  N   UNL     1      -3.927   1.601  -1.005  1.00  0.00           N  
HETATM   20  N   UNL     1      -0.313   1.478  -1.760  1.00  0.00           N  
HETATM   21  C   UNL     1       0.525   0.577  -2.577  1.00  0.00           C  
HETATM   22  C   UNL     1       0.738  -0.705  -1.815  1.00  0.00           C  
HETATM   23  O   UNL     1       0.042  -0.978  -0.860  1.00  0.00           O  
HETATM   24  C   UNL     1       1.874   1.243  -2.856  1.00  0.00           C  
HETATM   25  C   UNL     1       1.660   2.487  -3.720  1.00  0.00           C  
HETATM   26  C   UNL     1       2.990   3.222  -3.896  1.00  0.00           C  
HETATM   27  C   UNL     1       2.776   4.466  -4.759  1.00  0.00           C  
HETATM   28  C   UNL     1       2.239   4.050  -6.130  1.00  0.00           C  
HETATM   29  C   UNL     1       0.908   3.315  -5.955  1.00  0.00           C  
HETATM   30  C   UNL     1       1.122   2.071  -5.091  1.00  0.00           C  
HETATM   31  C   UNL     1       0.531  -3.526  -1.472  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.249  -3.343  -2.383  1.00  0.00           O  
HETATM   33  C   UNL     1       1.848  -2.796  -1.436  1.00  0.00           C  
HETATM   34  N   UNL     1       1.729  -1.555  -2.220  1.00  0.00           N  
HETATM   35  C   UNL     1       2.196  -2.432   0.009  1.00  0.00           C  
HETATM   36  C   UNL     1       3.590  -1.803   0.055  1.00  0.00           C  
HETATM   37  C   UNL     1       3.938  -1.439   1.500  1.00  0.00           C  
HETATM   38  N   UNL     1       5.272  -0.837   1.544  1.00  0.00           N  
HETATM   39  C   UNL     1       5.792  -0.435   2.721  1.00  0.00           C  
HETATM   40  O   UNL     1       5.153  -0.572   3.745  1.00  0.00           O  
HETATM   41  C   UNL     1       7.142   0.174   2.766  1.00  0.00           C  
HETATM   42  N   UNL     1       7.843   0.325   1.645  1.00  0.00           N  
HETATM   43  C   UNL     1       9.043   0.867   1.689  1.00  0.00           C  
HETATM   44  C   UNL     1       9.577   1.280   2.901  1.00  0.00           C  
HETATM   45  N   UNL     1       8.885   1.132   4.017  1.00  0.00           N  
HETATM   46  C   UNL     1       7.678   0.595   3.981  1.00  0.00           C  
HETATM   47  N   UNL     1      -4.608  -3.856   0.060  1.00  0.00           N  
HETATM   48  C   UNL     1      -3.443  -4.753   0.170  1.00  0.00           C  
HETATM   49  C   UNL     1      -3.247  -5.144   1.612  1.00  0.00           C  
HETATM   50  O   UNL     1      -3.734  -4.470   2.495  1.00  0.00           O  
HETATM   51  C   UNL     1      -2.191  -4.042  -0.338  1.00  0.00           C  
HETATM   52  C   UNL     1      -1.081  -5.072  -0.567  1.00  0.00           C  
HETATM   53  N   UNL     1       0.227  -4.392  -0.466  1.00  0.00           N  
HETATM   54  N   UNL     1      -2.528  -6.242   1.920  1.00  0.00           N  
HETATM   55  H   UNL     1      -6.516  -2.056  -0.299  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.228   0.297  -0.731  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.390   6.320   5.118  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.124   4.015   5.936  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.770   2.403   4.663  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.948   5.429   1.739  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.312   7.024   3.023  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.998   2.567   0.429  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.106   1.256   0.899  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.573   3.164  -1.437  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.710   2.141  -1.193  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.335   1.833   2.704  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.987   4.235   0.862  1.00  0.00           H  
HETATM   68  H   UNL     1       0.074   2.180  -1.213  1.00  0.00           H  
HETATM   69  H   UNL     1       0.021   0.363  -3.520  1.00  0.00           H  
HETATM   70  H   UNL     1       2.339   1.531  -1.914  1.00  0.00           H  
HETATM   71  H   UNL     1       2.523   0.543  -3.383  1.00  0.00           H  
HETATM   72  H   UNL     1       0.942   3.148  -3.234  1.00  0.00           H  
HETATM   73  H   UNL     1       3.373   3.519  -2.919  1.00  0.00           H  
HETATM   74  H   UNL     1       3.708   2.561  -4.382  1.00  0.00           H  
HETATM   75  H   UNL     1       2.058   5.127  -4.273  1.00  0.00           H  
HETATM   76  H   UNL     1       3.724   4.990  -4.884  1.00  0.00           H  
HETATM   77  H   UNL     1       2.086   4.936  -6.745  1.00  0.00           H  
HETATM   78  H   UNL     1       2.957   3.389  -6.616  1.00  0.00           H  
HETATM   79  H   UNL     1       0.190   3.976  -5.468  1.00  0.00           H  
HETATM   80  H   UNL     1       0.525   3.018  -6.931  1.00  0.00           H  
HETATM   81  H   UNL     1       1.840   1.410  -5.577  1.00  0.00           H  
HETATM   82  H   UNL     1       0.174   1.548  -4.966  1.00  0.00           H  
HETATM   83  H   UNL     1       2.629  -3.430  -1.856  1.00  0.00           H  
HETATM   84  H   UNL     1       2.305  -1.365  -2.977  1.00  0.00           H  
HETATM   85  H   UNL     1       1.464  -1.721   0.391  1.00  0.00           H  
HETATM   86  H   UNL     1       2.183  -3.332   0.623  1.00  0.00           H  
HETATM   87  H   UNL     1       4.322  -2.514  -0.327  1.00  0.00           H  
HETATM   88  H   UNL     1       3.603  -0.903  -0.560  1.00  0.00           H  
HETATM   89  H   UNL     1       3.205  -0.728   1.882  1.00  0.00           H  
HETATM   90  H   UNL     1       3.925  -2.339   2.114  1.00  0.00           H  
HETATM   91  H   UNL     1       5.782  -0.727   0.726  1.00  0.00           H  
HETATM   92  H   UNL     1       9.612   0.990   0.779  1.00  0.00           H  
HETATM   93  H   UNL     1      10.563   1.719   2.934  1.00  0.00           H  
HETATM   94  H   UNL     1       7.113   0.475   4.893  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.513  -4.182   0.185  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.619  -5.648  -0.426  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.415  -3.535  -1.277  1.00  0.00           H  
HETATM   98  H   UNL     1      -1.862  -3.311   0.400  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.146  -5.853   0.191  1.00  0.00           H  
HETATM  100  H   UNL     1      -1.191  -5.514  -1.557  1.00  0.00           H  
HETATM  101  H   UNL     1       0.834  -4.554   0.273  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.138  -6.780   1.214  1.00  0.00           H  
HETATM  103  H   UNL     1      -2.402  -6.494   2.849  1.00  0.00           H  
CONECT    1   47    2    2    3                                       
CONECT    2    1    1                                                 
CONECT    3    1   55    4    4                                       
CONECT    4    3    3    5   56                                       
CONECT    5    4    6    6   19                                       
CONECT    6    5    5                                                 
CONECT    7    8    8   57   12                                       
CONECT    8    7    7    9   58                                       
CONECT    9    8   59   10   10                                       
CONECT   10   13    9    9   11                                       
CONECT   11   10   60   12   12                                       
CONECT   12   11   11    7   61                                       
CONECT   13   10   14   14   66                                       
CONECT   14   13   13   15   67                                       
CONECT   15   14   16   62   63                                       
CONECT   16   15   64   17   19                                       
CONECT   17   16   20   18   18                                       
CONECT   18   17   17                                                 
CONECT   19    5   16   65                                            
CONECT   20   17   21   68                                            
CONECT   21   20   69   22   24                                       
CONECT   22   21   34   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   21   70   71   25                                       
CONECT   25   24   72   26   30                                       
CONECT   26   25   73   74   27                                       
CONECT   27   26   75   76   28                                       
CONECT   28   27   29   77   78                                       
CONECT   29   28   30   79   80                                       
CONECT   30   29   25   81   82                                       
CONECT   31   33   53   32   32                                       
CONECT   32   31   31                                                 
CONECT   33   31   34   83   35                                       
CONECT   34   22   84   33                                            
CONECT   35   36   33   85   86                                       
CONECT   36   35   87   88   37                                       
CONECT   37   36   89   90   38                                       
CONECT   38   37   91   39                                            
CONECT   39   38   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   46   46   42                                       
CONECT   42   43   43   41                                            
CONECT   43   44   42   42   92                                       
CONECT   44   45   45   43   93                                       
CONECT   45   46   44   44                                            
CONECT   46   41   41   94   45                                       
CONECT   47   48   95    1                                            
CONECT   48   51   96   47   49                                       
CONECT   49   54   48   50   50                                       
CONECT   50   49   49                                                 
CONECT   51   52   97   98   48                                       
CONECT   52   53   99  100   51                                       
CONECT   53   31   52  101                                            
CONECT   54   49  102  103                                            
CONECT   55    3                                                      
CONECT   56    4                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   19                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   30                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   35                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   37                                                      
CONECT   91   38                                                      
CONECT   92   43                                                      
CONECT   93   44                                                      
CONECT   94   46                                                      
CONECT   95   47                                                      
CONECT   96   48                                                      
CONECT   97   51                                                      
CONECT   98   51                                                      
CONECT   99   52                                                      
CONECT  100   52                                                      
CONECT  101   53                                                      
CONECT  102   54                                                      
CONECT  103   54                                                      
MASTER        0    0    0    0    0    0    0    0  103    0  103    0
END
