COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       9.597   1.789   0.811  1.00  0.00           O  
HETATM    2  C   UNL     1       6.178  -1.505   0.410  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.283   0.799  -0.623  1.00  0.00           O  
HETATM    4  C   UNL     1       5.680  -0.511   1.242  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.231  -0.739   0.939  1.00  0.00           C  
HETATM    6  N   UNL     1       9.905   1.022  -1.213  1.00  0.00           N  
HETATM    7  C   UNL     1       4.348  -0.522   1.609  1.00  0.00           C  
HETATM    8  C   UNL     1       3.511  -1.521   1.148  1.00  0.00           C  
HETATM    9  C   UNL     1       2.059  -1.530   1.549  1.00  0.00           C  
HETATM   10  C   UNL     1       1.243  -0.730   0.531  1.00  0.00           C  
HETATM   11  O   UNL     1     -10.600   4.956   0.648  1.00  0.00           O  
HETATM   12  C   UNL     1     -11.232   3.946   0.888  1.00  0.00           C  
HETATM   13  O   UNL     1     -12.530   4.031   1.238  1.00  0.00           O  
HETATM   14  C   UNL     1     -13.107   5.361   1.309  1.00  0.00           C  
HETATM   15  N   UNL     1     -10.635   2.741   0.804  1.00  0.00           N  
HETATM   16  C   UNL     1      -9.223   2.648   0.423  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.830   1.177   0.274  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.582   0.566  -0.910  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.310  -0.915  -0.967  1.00  0.00           C  
HETATM   20  C   UNL     1     -10.131  -1.787  -0.310  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.840  -3.162  -0.390  1.00  0.00           C  
HETATM   22  C   UNL     1     -10.639  -4.117   0.257  1.00  0.00           C  
HETATM   23  C   UNL     1     -10.325  -5.438   0.156  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.220  -5.855  -0.583  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.423  -4.956  -1.224  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.715  -3.584  -1.143  1.00  0.00           C  
HETATM   27  N   UNL     1      -7.952  -2.678  -1.761  1.00  0.00           N  
HETATM   28  C   UNL     1      -8.223  -1.397  -1.694  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.346   1.075   0.034  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.782   1.691  -1.068  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.421   1.600  -1.290  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.550   0.372   0.919  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.189   0.277   0.701  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.621   0.890  -0.406  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.521   0.052   0.328  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.047   0.060  -0.079  1.00  0.00           C  
HETATM   37  C   UNL     1       4.004  -2.513   0.319  1.00  0.00           C  
HETATM   38  C   UNL     1       5.335  -2.507  -0.051  1.00  0.00           C  
HETATM   39  N   UNL     1       7.525  -1.493   0.033  1.00  0.00           N  
HETATM   40  C   UNL     1       8.142  -0.323  -0.227  1.00  0.00           C  
HETATM   41  O   UNL     1       7.552   0.723  -0.062  1.00  0.00           O  
HETATM   42  C   UNL     1       9.565  -0.316  -0.722  1.00  0.00           C  
HETATM   43  C   UNL     1      10.506  -0.692   0.424  1.00  0.00           C  
HETATM   44  C   UNL     1      10.226  -2.131   0.862  1.00  0.00           C  
HETATM   45  C   UNL     1      11.167  -2.508   2.008  1.00  0.00           C  
HETATM   46  C   UNL     1      12.617  -2.392   1.536  1.00  0.00           C  
HETATM   47  C   UNL     1      12.898  -0.953   1.098  1.00  0.00           C  
HETATM   48  C   UNL     1      11.957  -0.577  -0.048  1.00  0.00           C  
HETATM   49  C   UNL     1      10.258   1.165  -2.620  1.00  0.00           C  
HETATM   50  C   UNL     1      10.112   2.621  -3.064  1.00  0.00           C  
HETATM   51  C   UNL     1      10.864   3.515  -2.070  1.00  0.00           C  
HETATM   52  C   UNL     1      10.136   3.462  -0.725  1.00  0.00           C  
HETATM   53  N   UNL     1      10.971   4.091   0.307  1.00  0.00           N  
HETATM   54  C   UNL     1       9.865   2.034  -0.346  1.00  0.00           C  
HETATM   55  H   UNL     1       6.333   0.270   1.603  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.594  -1.767   0.968  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.338  -0.288   1.925  1.00  0.00           H  
HETATM   58  H   UNL     1       3.960   0.251   2.256  1.00  0.00           H  
HETATM   59  H   UNL     1       1.696  -2.558   1.579  1.00  0.00           H  
HETATM   60  H   UNL     1       1.951  -1.079   2.536  1.00  0.00           H  
HETATM   61  H   UNL     1       1.350  -1.182  -0.455  1.00  0.00           H  
HETATM   62  H   UNL     1       1.606   0.297   0.502  1.00  0.00           H  
HETATM   63  H   UNL     1     -12.566   5.954   2.046  1.00  0.00           H  
HETATM   64  H   UNL     1     -13.035   5.841   0.333  1.00  0.00           H  
HETATM   65  H   UNL     1     -14.155   5.288   1.601  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.139   1.935   0.995  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.068   3.163  -0.525  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.608   3.113   1.194  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.089   0.638   1.186  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.652   0.734  -0.787  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.245   1.033  -1.835  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.980  -1.431   0.255  1.00  0.00           H  
HETATM   73  H   UNL     1     -11.498  -3.806   0.833  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.940  -6.173   0.655  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.991  -6.909  -0.649  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.570  -5.296  -1.791  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.582  -0.696  -2.208  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.405   2.244  -1.755  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.981   2.081  -2.151  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.993  -0.105   1.781  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.568  -0.272   1.393  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.628   0.503   1.315  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.884  -0.976   0.357  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.684   1.088  -0.108  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.939  -0.391  -1.066  1.00  0.00           H  
HETATM   86  H   UNL     1       3.348  -3.292  -0.039  1.00  0.00           H  
HETATM   87  H   UNL     1       5.718  -3.280  -0.701  1.00  0.00           H  
HETATM   88  H   UNL     1       8.015  -2.327  -0.042  1.00  0.00           H  
HETATM   89  H   UNL     1       9.672  -1.038  -1.532  1.00  0.00           H  
HETATM   90  H   UNL     1      10.343  -0.018   1.264  1.00  0.00           H  
HETATM   91  H   UNL     1       9.192  -2.214   1.198  1.00  0.00           H  
HETATM   92  H   UNL     1      10.389  -2.806   0.021  1.00  0.00           H  
HETATM   93  H   UNL     1      11.003  -1.834   2.849  1.00  0.00           H  
HETATM   94  H   UNL     1      10.967  -3.533   2.321  1.00  0.00           H  
HETATM   95  H   UNL     1      13.288  -2.660   2.353  1.00  0.00           H  
HETATM   96  H   UNL     1      12.781  -3.066   0.696  1.00  0.00           H  
HETATM   97  H   UNL     1      12.734  -0.279   1.939  1.00  0.00           H  
HETATM   98  H   UNL     1      13.931  -0.871   0.762  1.00  0.00           H  
HETATM   99  H   UNL     1      12.120  -1.251  -0.889  1.00  0.00           H  
HETATM  100  H   UNL     1      12.157   0.448  -0.361  1.00  0.00           H  
HETATM  101  H   UNL     1      11.290   0.845  -2.766  1.00  0.00           H  
HETATM  102  H   UNL     1       9.601   0.537  -3.222  1.00  0.00           H  
HETATM  103  H   UNL     1      10.536   2.743  -4.060  1.00  0.00           H  
HETATM  104  H   UNL     1       9.057   2.895  -3.077  1.00  0.00           H  
HETATM  105  H   UNL     1      11.884   3.151  -1.950  1.00  0.00           H  
HETATM  106  H   UNL     1      10.881   4.540  -2.440  1.00  0.00           H  
HETATM  107  H   UNL     1       9.191   4.000  -0.804  1.00  0.00           H  
HETATM  108  H   UNL     1      10.513   4.070   1.205  1.00  0.00           H  
HETATM  109  H   UNL     1      11.879   3.654   0.353  1.00  0.00           H  
CONECT    1   54   54                                                 
CONECT    2    4    4   38   39                                       
CONECT    3   34   35                                                 
CONECT    4    7    2    2   55                                       
CONECT    5   10   36   56   57                                       
CONECT    6   42   54   49                                            
CONECT    7    8    8    4   58                                       
CONECT    8    9    7    7   37                                       
CONECT    9   10    8   59   60                                       
CONECT   10    9    5   61   62                                       
CONECT   11   12   12                                                 
CONECT   12   11   11   15   13                                       
CONECT   13   12   14                                                 
CONECT   14   13   63   64   65                                       
CONECT   15   16   12   66                                            
CONECT   16   15   17   67   68                                       
CONECT   17   16   18   29   69                                       
CONECT   18   19   17   70   71                                       
CONECT   19   20   20   28   18                                       
CONECT   20   21   19   19   72                                       
CONECT   21   22   22   26   20                                       
CONECT   22   23   21   21   73                                       
CONECT   23   24   24   22   74                                       
CONECT   24   23   23   25   75                                       
CONECT   25   24   26   26   76                                       
CONECT   26   25   25   21   27                                       
CONECT   27   26   28   28                                            
CONECT   28   27   27   19   77                                       
CONECT   29   17   30   30   32                                       
CONECT   30   29   29   31   78                                       
CONECT   31   30   34   34   79                                       
CONECT   32   29   33   33   80                                       
CONECT   33   32   32   34   81                                       
CONECT   34   31   31   33    3                                       
CONECT   35    3   36   82   83                                       
CONECT   36    5   35   84   85                                       
CONECT   37    8   38   38   86                                       
CONECT   38   37   37    2   87                                       
CONECT   39    2   40   88                                            
CONECT   40   39   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   40   43    6   89                                       
CONECT   43   44   42   48   90                                       
CONECT   44   45   43   91   92                                       
CONECT   45   44   46   93   94                                       
CONECT   46   45   47   95   96                                       
CONECT   47   46   48   97   98                                       
CONECT   48   43   47   99  100                                       
CONECT   49    6   50  101  102                                       
CONECT   50   49   51  103  104                                       
CONECT   51   52   50  105  106                                       
CONECT   52   54   53   51  107                                       
CONECT   53   52  108  109                                            
CONECT   54    1    1    6   52                                       
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    7                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   14                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   16                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   18                                                      
CONECT   72   20                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   28                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   35                                                      
CONECT   83   35                                                      
CONECT   84   36                                                      
CONECT   85   36                                                      
CONECT   86   37                                                      
CONECT   87   38                                                      
CONECT   88   39                                                      
CONECT   89   42                                                      
CONECT   90   43                                                      
CONECT   91   44                                                      
CONECT   92   44                                                      
CONECT   93   45                                                      
CONECT   94   45                                                      
CONECT   95   46                                                      
CONECT   96   46                                                      
CONECT   97   47                                                      
CONECT   98   47                                                      
CONECT   99   48                                                      
CONECT  100   48                                                      
CONECT  101   49                                                      
CONECT  102   49                                                      
CONECT  103   50                                                      
CONECT  104   50                                                      
CONECT  105   51                                                      
CONECT  106   51                                                      
CONECT  107   52                                                      
CONECT  108   53                                                      
CONECT  109   53                                                      
MASTER        0    0    0    0    0    0    0    0  109    0  109    0
END
