COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.355  -0.023  15.982  1.00  0.00           C  
HETATM    2  O   UNL     1       0.957  -0.108  14.612  1.00  0.00           O  
HETATM    3  C   UNL     1       1.237   2.288  14.491  1.00  0.00           C  
HETATM    4  C   UNL     1       3.156   0.741  14.083  1.00  0.00           C  
HETATM    5  C   UNL     1       1.647   0.931  13.916  1.00  0.00           C  
HETATM    6  C   UNL     1       1.293   0.877  12.453  1.00  0.00           C  
HETATM    7  O   UNL     1       1.288   1.889  11.795  1.00  0.00           O  
HETATM    8  C   UNL     1       0.943  -0.440  11.810  1.00  0.00           C  
HETATM    9  C   UNL     1       0.631  -0.220  10.352  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.564  -0.493   9.890  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.669  -0.875  10.840  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.833  -0.423   8.409  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.557  -1.788   7.776  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.826  -1.718   6.295  1.00  0.00           C  
HETATM   15  C   UNL     1       0.089  -2.109   5.443  1.00  0.00           C  
HETATM   16  C   UNL     1       1.349  -2.768   5.942  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.117  -1.899   3.965  1.00  0.00           C  
HETATM   18  C   UNL     1       0.450  -0.538   3.559  1.00  0.00           C  
HETATM   19  C   UNL     1       0.243  -0.328   2.081  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.328   0.768   1.649  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.865   1.776   2.632  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.448   1.022   0.168  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.766   0.437  -0.343  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.889   0.695  -1.846  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.207   0.111  -2.358  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.327   0.364  -3.838  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.985   1.626  -4.335  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.861  -0.511  -4.693  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.079  -0.312  -6.171  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.730  -0.339  -6.893  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.952  -0.137  -8.394  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.842  -1.258  -8.934  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.603  -0.164  -9.117  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.825   0.037 -10.617  1.00  0.00           C  
HETATM   35  C   UNL     1       0.502   0.011 -11.329  1.00  0.00           C  
HETATM   36  C   UNL     1       0.927   1.075 -11.963  1.00  0.00           C  
HETATM   37  C   UNL     1       0.171   2.374 -11.846  1.00  0.00           C  
HETATM   38  C   UNL     1       2.171   1.001 -12.810  1.00  0.00           C  
HETATM   39  C   UNL     1       1.792   0.614 -14.241  1.00  0.00           C  
HETATM   40  C   UNL     1       3.036   0.540 -15.088  1.00  0.00           C  
HETATM   41  C   UNL     1       3.409  -0.603 -15.606  1.00  0.00           C  
HETATM   42  C   UNL     1       4.556  -0.650 -16.581  1.00  0.00           C  
HETATM   43  C   UNL     1       2.690  -1.872 -15.225  1.00  0.00           C  
HETATM   44  H   UNL     1       1.060   0.944  16.387  1.00  0.00           H  
HETATM   45  H   UNL     1       0.871  -0.817  16.551  1.00  0.00           H  
HETATM   46  H   UNL     1       2.437  -0.133  16.054  1.00  0.00           H  
HETATM   47  H   UNL     1       0.150   2.350  14.536  1.00  0.00           H  
HETATM   48  H   UNL     1       1.650   2.398  15.494  1.00  0.00           H  
HETATM   49  H   UNL     1       1.621   3.084  13.852  1.00  0.00           H  
HETATM   50  H   UNL     1       3.427  -0.277  13.805  1.00  0.00           H  
HETATM   51  H   UNL     1       3.684   1.445  13.440  1.00  0.00           H  
HETATM   52  H   UNL     1       3.433   0.920  15.122  1.00  0.00           H  
HETATM   53  H   UNL     1       1.787  -1.124  11.902  1.00  0.00           H  
HETATM   54  H   UNL     1       0.073  -0.867  12.308  1.00  0.00           H  
HETATM   55  H   UNL     1       1.392   0.160   9.688  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.315  -0.783  11.867  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.523  -0.214  10.690  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.970  -1.906  10.651  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.875  -0.149   8.242  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.183   0.325   7.957  1.00  0.00           H  
HETATM   61  H   UNL     1       0.484  -2.062   7.943  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.207  -2.537   8.228  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.774  -1.346   5.935  1.00  0.00           H  
HETATM   64  H   UNL     1       1.278  -2.920   7.019  1.00  0.00           H  
HETATM   65  H   UNL     1       1.476  -3.730   5.446  1.00  0.00           H  
HETATM   66  H   UNL     1       2.204  -2.130   5.721  1.00  0.00           H  
HETATM   67  H   UNL     1       0.394  -2.686   3.412  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.183  -1.930   3.740  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.061   0.249   4.113  1.00  0.00           H  
HETATM   70  H   UNL     1       1.516  -0.506   3.785  1.00  0.00           H  
HETATM   71  H   UNL     1       0.566  -1.081   1.378  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.606   1.468   3.646  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.427   2.753   2.427  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.949   1.835   2.536  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.430   2.095  -0.018  1.00  0.00           H  
HETATM   76  H   UNL     1       0.384   0.548  -0.349  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.785  -0.635  -0.155  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.600   0.911   0.175  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.870   1.769  -2.033  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.056   0.221  -2.365  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.226  -0.962  -2.170  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.040   0.585  -1.839  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.813   1.368  -4.995  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.361   2.199  -3.487  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.257   2.224  -4.883  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.319  -1.376  -4.339  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.713  -1.110  -6.555  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.563   0.649  -6.340  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.096   0.459  -6.509  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.246  -1.301  -6.724  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.436   0.824  -8.563  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.358  -2.220  -8.764  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.803  -1.238  -8.419  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.000  -1.114 -10.002  1.00  0.00           H  
HETATM   95  H   UNL     1       0.030   0.634  -8.732  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.120  -1.126  -8.947  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.459  -0.760 -11.001  1.00  0.00           H  
HETATM   98  H   UNL     1      -1.309   0.999 -10.786  1.00  0.00           H  
HETATM   99  H   UNL     1       1.104  -0.885 -11.316  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.653   2.252 -11.144  1.00  0.00           H  
HETATM  101  H   UNL     1       0.842   3.153 -11.485  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.220   2.656 -12.823  1.00  0.00           H  
HETATM  103  H   UNL     1       2.665   1.973 -12.816  1.00  0.00           H  
HETATM  104  H   UNL     1       2.847   0.252 -12.398  1.00  0.00           H  
HETATM  105  H   UNL     1       1.298  -0.357 -14.235  1.00  0.00           H  
HETATM  106  H   UNL     1       1.115   1.363 -14.653  1.00  0.00           H  
HETATM  107  H   UNL     1       3.620   1.431 -15.269  1.00  0.00           H  
HETATM  108  H   UNL     1       4.719  -1.680 -16.901  1.00  0.00           H  
HETATM  109  H   UNL     1       4.321  -0.033 -17.449  1.00  0.00           H  
HETATM  110  H   UNL     1       5.458  -0.272 -16.100  1.00  0.00           H  
HETATM  111  H   UNL     1       1.966  -1.658 -14.439  1.00  0.00           H  
HETATM  112  H   UNL     1       2.173  -2.272 -16.097  1.00  0.00           H  
HETATM  113  H   UNL     1       3.413  -2.604 -14.864  1.00  0.00           H  
CONECT    1    2   44   45   46                                       
CONECT    2    1    5                                                 
CONECT    3    5   47   48   49                                       
CONECT    4    5   50   51   52                                       
CONECT    5    2    3    4    6                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   53   54                                       
CONECT    9    8   10   10   55                                       
CONECT   10    9    9   11   12                                       
CONECT   11   10   56   57   58                                       
CONECT   12   10   13   59   60                                       
CONECT   13   12   14   61   62                                       
CONECT   14   13   15   15   63                                       
CONECT   15   14   14   16   17                                       
CONECT   16   15   64   65   66                                       
CONECT   17   15   18   67   68                                       
CONECT   18   17   19   69   70                                       
CONECT   19   18   20   20   71                                       
CONECT   20   19   19   21   22                                       
CONECT   21   20   72   73   74                                       
CONECT   22   20   23   75   76                                       
CONECT   23   22   24   77   78                                       
CONECT   24   23   25   79   80                                       
CONECT   25   24   26   81   82                                       
CONECT   26   25   27   28   28                                       
CONECT   27   26   83   84   85                                       
CONECT   28   26   26   29   86                                       
CONECT   29   28   30   87   88                                       
CONECT   30   29   31   89   90                                       
CONECT   31   30   32   33   91                                       
CONECT   32   31   92   93   94                                       
CONECT   33   31   34   95   96                                       
CONECT   34   33   35   97   98                                       
CONECT   35   34   36   36   99                                       
CONECT   36   35   35   37   38                                       
CONECT   37   36  100  101  102                                       
CONECT   38   36   39  103  104                                       
CONECT   39   38   40  105  106                                       
CONECT   40   39   41   41  107                                       
CONECT   41   40   40   42   43                                       
CONECT   42   41  108  109  110                                       
CONECT   43   41  111  112  113                                       
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   18                                                      
CONECT   71   19                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   21                                                      
CONECT   75   22                                                      
CONECT   76   22                                                      
CONECT   77   23                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   24                                                      
CONECT   81   25                                                      
CONECT   82   25                                                      
CONECT   83   27                                                      
CONECT   84   27                                                      
CONECT   85   27                                                      
CONECT   86   28                                                      
CONECT   87   29                                                      
CONECT   88   29                                                      
CONECT   89   30                                                      
CONECT   90   30                                                      
CONECT   91   31                                                      
CONECT   92   32                                                      
CONECT   93   32                                                      
CONECT   94   32                                                      
CONECT   95   33                                                      
CONECT   96   33                                                      
CONECT   97   34                                                      
CONECT   98   34                                                      
CONECT   99   35                                                      
CONECT  100   37                                                      
CONECT  101   37                                                      
CONECT  102   37                                                      
CONECT  103   38                                                      
CONECT  104   38                                                      
CONECT  105   39                                                      
CONECT  106   39                                                      
CONECT  107   40                                                      
CONECT  108   42                                                      
CONECT  109   42                                                      
CONECT  110   42                                                      
CONECT  111   43                                                      
CONECT  112   43                                                      
CONECT  113   43                                                      
MASTER        0    0    0    0    0    0    0    0  113    0  113    0
END
