COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.113   1.321   2.202  1.00  0.00           O  
HETATM    2  C   UNL     1       1.729   1.268   1.053  1.00  0.00           C  
HETATM    3  C   UNL     1       2.478   0.435   0.045  1.00  0.00           C  
HETATM    4  C   UNL     1       3.674  -0.234   0.725  1.00  0.00           C  
HETATM    5  C   UNL     1       4.435  -1.080  -0.299  1.00  0.00           C  
HETATM    6  C   UNL     1       5.630  -1.749   0.381  1.00  0.00           C  
HETATM    7  C   UNL     1       6.391  -2.595  -0.643  1.00  0.00           C  
HETATM    8  C   UNL     1       7.587  -3.264   0.037  1.00  0.00           C  
HETATM    9  C   UNL     1       8.348  -4.110  -0.986  1.00  0.00           C  
HETATM   10  C   UNL     1       9.544  -4.780  -0.306  1.00  0.00           C  
HETATM   11  C   UNL     1      10.305  -5.625  -1.330  1.00  0.00           C  
HETATM   12  C   UNL     1      11.483  -6.285  -0.660  1.00  0.00           C  
HETATM   13  C   UNL     1      11.339  -7.532  -0.081  1.00  0.00           C  
HETATM   14  C   UNL     1      12.420  -8.137   0.533  1.00  0.00           C  
HETATM   15  C   UNL     1      13.644  -7.495   0.568  1.00  0.00           C  
HETATM   16  C   UNL     1      13.787  -6.248  -0.012  1.00  0.00           C  
HETATM   17  C   UNL     1      12.708  -5.645  -0.630  1.00  0.00           C  
HETATM   18  N   UNL     1       0.628   1.950   0.679  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.104   2.755   1.660  1.00  0.00           C  
HETATM   20  C   UNL     1       0.539   4.139   1.766  1.00  0.00           C  
HETATM   21  O   UNL     1       0.400   4.825   0.520  1.00  0.00           O  
HETATM   22  C   UNL     1       0.970   6.135   0.511  1.00  0.00           C  
HETATM   23  C   UNL     1       0.552   6.865  -0.768  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.874   6.916  -0.845  1.00  0.00           O  
HETATM   25  C   UNL     1       1.104   6.110  -1.981  1.00  0.00           C  
HETATM   26  O   UNL     1       0.781   6.825  -3.176  1.00  0.00           O  
HETATM   27  C   UNL     1       2.625   5.995  -1.848  1.00  0.00           C  
HETATM   28  O   UNL     1       3.206   7.301  -1.862  1.00  0.00           O  
HETATM   29  C   UNL     1       2.963   5.299  -0.528  1.00  0.00           C  
HETATM   30  C   UNL     1       4.483   5.234  -0.359  1.00  0.00           C  
HETATM   31  O   UNL     1       4.800   4.482   0.814  1.00  0.00           O  
HETATM   32  O   UNL     1       2.395   6.035   0.557  1.00  0.00           O  
HETATM   33  C   UNL     1      -1.561   2.901   1.215  1.00  0.00           C  
HETATM   34  O   UNL     1      -2.243   3.790   2.102  1.00  0.00           O  
HETATM   35  C   UNL     1      -2.242   1.532   1.242  1.00  0.00           C  
HETATM   36  O   UNL     1      -1.560   0.643   0.354  1.00  0.00           O  
HETATM   37  C   UNL     1      -3.699   1.678   0.796  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.414   0.333   0.942  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.871   0.480   0.496  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.586  -0.865   0.641  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.042  -0.718   0.196  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.758  -2.063   0.341  1.00  0.00           C  
HETATM   43  C   UNL     1     -10.214  -1.916  -0.104  1.00  0.00           C  
HETATM   44  C   UNL     1     -10.930  -3.261   0.041  1.00  0.00           C  
HETATM   45  C   UNL     1     -12.386  -3.114  -0.404  1.00  0.00           C  
HETATM   46  C   UNL     1     -13.101  -4.459  -0.259  1.00  0.00           C  
HETATM   47  C   UNL     1     -14.558  -4.313  -0.704  1.00  0.00           C  
HETATM   48  C   UNL     1     -15.273  -5.657  -0.559  1.00  0.00           C  
HETATM   49  C   UNL     1     -16.730  -5.511  -1.004  1.00  0.00           C  
HETATM   50  C   UNL     1     -17.445  -6.855  -0.859  1.00  0.00           C  
HETATM   51  H   UNL     1       1.815  -0.329  -0.360  1.00  0.00           H  
HETATM   52  H   UNL     1       2.831   1.075  -0.764  1.00  0.00           H  
HETATM   53  H   UNL     1       4.337   0.530   1.129  1.00  0.00           H  
HETATM   54  H   UNL     1       3.321  -0.874   1.533  1.00  0.00           H  
HETATM   55  H   UNL     1       3.771  -1.844  -0.703  1.00  0.00           H  
HETATM   56  H   UNL     1       4.788  -0.440  -1.108  1.00  0.00           H  
HETATM   57  H   UNL     1       6.294  -0.985   0.785  1.00  0.00           H  
HETATM   58  H   UNL     1       5.277  -2.389   1.190  1.00  0.00           H  
HETATM   59  H   UNL     1       5.728  -3.359  -1.047  1.00  0.00           H  
HETATM   60  H   UNL     1       6.744  -1.955  -1.452  1.00  0.00           H  
HETATM   61  H   UNL     1       8.250  -2.500   0.442  1.00  0.00           H  
HETATM   62  H   UNL     1       7.234  -3.904   0.846  1.00  0.00           H  
HETATM   63  H   UNL     1       7.685  -4.874  -1.391  1.00  0.00           H  
HETATM   64  H   UNL     1       8.701  -3.470  -1.795  1.00  0.00           H  
HETATM   65  H   UNL     1      10.207  -4.015   0.098  1.00  0.00           H  
HETATM   66  H   UNL     1       9.191  -5.419   0.502  1.00  0.00           H  
HETATM   67  H   UNL     1       9.642  -6.390  -1.735  1.00  0.00           H  
HETATM   68  H   UNL     1      10.658  -4.985  -2.139  1.00  0.00           H  
HETATM   69  H   UNL     1      10.383  -8.033  -0.109  1.00  0.00           H  
HETATM   70  H   UNL     1      12.308  -9.111   0.986  1.00  0.00           H  
HETATM   71  H   UNL     1      14.488  -7.968   1.048  1.00  0.00           H  
HETATM   72  H   UNL     1      14.743  -5.747   0.015  1.00  0.00           H  
HETATM   73  H   UNL     1      12.821  -4.673  -1.087  1.00  0.00           H  
HETATM   74  H   UNL     1       0.320   1.908  -0.240  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.069   2.263   2.632  1.00  0.00           H  
HETATM   76  H   UNL     1       0.044   4.710   2.552  1.00  0.00           H  
HETATM   77  H   UNL     1       1.596   4.031   2.006  1.00  0.00           H  
HETATM   78  H   UNL     1       0.616   6.691   1.379  1.00  0.00           H  
HETATM   79  H   UNL     1       0.952   7.879  -0.756  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.292   7.376  -0.104  1.00  0.00           H  
HETATM   81  H   UNL     1       0.664   5.114  -2.022  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.169   6.941  -3.320  1.00  0.00           H  
HETATM   83  H   UNL     1       3.020   5.412  -2.680  1.00  0.00           H  
HETATM   84  H   UNL     1       3.027   7.802  -2.669  1.00  0.00           H  
HETATM   85  H   UNL     1       2.555   4.288  -0.535  1.00  0.00           H  
HETATM   86  H   UNL     1       4.924   4.750  -1.231  1.00  0.00           H  
HETATM   87  H   UNL     1       4.881   6.244  -0.263  1.00  0.00           H  
HETATM   88  H   UNL     1       5.749   4.400   0.983  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.592   3.303   0.203  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.189   3.534   3.033  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.211   1.129   2.254  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.549   0.938  -0.566  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.195   2.423   1.418  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.730   1.996  -0.246  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.917  -0.411   0.320  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.383   0.016   1.984  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.367   1.225   1.118  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.902   0.798  -0.546  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.089  -1.610   0.020  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.555  -1.182   1.684  1.00  0.00           H  
HETATM  101  H   UNL     1      -8.539   0.027   0.818  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.074  -0.401  -0.846  1.00  0.00           H  
HETATM  103  H   UNL     1      -8.261  -2.808  -0.280  1.00  0.00           H  
HETATM  104  H   UNL     1      -8.727  -2.380   1.384  1.00  0.00           H  
HETATM  105  H   UNL     1     -10.711  -1.171   0.518  1.00  0.00           H  
HETATM  106  H   UNL     1     -10.245  -1.599  -1.146  1.00  0.00           H  
HETATM  107  H   UNL     1     -10.433  -4.006  -0.580  1.00  0.00           H  
HETATM  108  H   UNL     1     -10.898  -3.579   1.084  1.00  0.00           H  
HETATM  109  H   UNL     1     -12.883  -2.370   0.218  1.00  0.00           H  
HETATM  110  H   UNL     1     -12.417  -2.797  -1.446  1.00  0.00           H  
HETATM  111  H   UNL     1     -12.605  -5.204  -0.881  1.00  0.00           H  
HETATM  112  H   UNL     1     -13.070  -4.777   0.784  1.00  0.00           H  
HETATM  113  H   UNL     1     -15.055  -3.568  -0.082  1.00  0.00           H  
HETATM  114  H   UNL     1     -14.589  -3.995  -1.746  1.00  0.00           H  
HETATM  115  H   UNL     1     -14.776  -6.402  -1.181  1.00  0.00           H  
HETATM  116  H   UNL     1     -15.242  -5.975   0.484  1.00  0.00           H  
HETATM  117  H   UNL     1     -17.226  -4.766  -0.382  1.00  0.00           H  
HETATM  118  H   UNL     1     -16.761  -5.193  -2.046  1.00  0.00           H  
HETATM  119  H   UNL     1     -16.948  -7.600  -1.480  1.00  0.00           H  
HETATM  120  H   UNL     1     -17.414  -7.173   0.184  1.00  0.00           H  
HETATM  121  H   UNL     1     -18.483  -6.751  -1.176  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   18                                       
CONECT    3    2    4   51   52                                       
CONECT    4    3    5   53   54                                       
CONECT    5    4    6   55   56                                       
CONECT    6    5    7   57   58                                       
CONECT    7    6    8   59   60                                       
CONECT    8    7    9   61   62                                       
CONECT    9    8   10   63   64                                       
CONECT   10    9   11   65   66                                       
CONECT   11   10   12   67   68                                       
CONECT   12   11   13   13   17                                       
CONECT   13   12   12   14   69                                       
CONECT   14   13   15   15   70                                       
CONECT   15   14   14   16   71                                       
CONECT   16   15   17   17   72                                       
CONECT   17   12   16   16   73                                       
CONECT   18    2   19   74                                            
CONECT   19   18   20   33   75                                       
CONECT   20   19   21   76   77                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   32   78                                       
CONECT   23   22   24   25   79                                       
CONECT   24   23   80                                                 
CONECT   25   23   26   27   81                                       
CONECT   26   25   82                                                 
CONECT   27   25   28   29   83                                       
CONECT   28   27   84                                                 
CONECT   29   27   30   32   85                                       
CONECT   30   29   31   86   87                                       
CONECT   31   30   88                                                 
CONECT   32   22   29                                                 
CONECT   33   19   34   35   89                                       
CONECT   34   33   90                                                 
CONECT   35   33   36   37   91                                       
CONECT   36   35   92                                                 
CONECT   37   35   38   93   94                                       
CONECT   38   37   39   95   96                                       
CONECT   39   38   40   97   98                                       
CONECT   40   39   41   99  100                                       
CONECT   41   40   42  101  102                                       
CONECT   42   41   43  103  104                                       
CONECT   43   42   44  105  106                                       
CONECT   44   43   45  107  108                                       
CONECT   45   44   46  109  110                                       
CONECT   46   45   47  111  112                                       
CONECT   47   46   48  113  114                                       
CONECT   48   47   49  115  116                                       
CONECT   49   48   50  117  118                                       
CONECT   50   49  119  120  121                                       
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64    9                                                      
CONECT   65   10                                                      
CONECT   66   10                                                      
CONECT   67   11                                                      
CONECT   68   11                                                      
CONECT   69   13                                                      
CONECT   70   14                                                      
CONECT   71   15                                                      
CONECT   72   16                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   19                                                      
CONECT   76   20                                                      
CONECT   77   20                                                      
CONECT   78   22                                                      
CONECT   79   23                                                      
CONECT   80   24                                                      
CONECT   81   25                                                      
CONECT   82   26                                                      
CONECT   83   27                                                      
CONECT   84   28                                                      
CONECT   85   29                                                      
CONECT   86   30                                                      
CONECT   87   30                                                      
CONECT   88   31                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   35                                                      
CONECT   92   36                                                      
CONECT   93   37                                                      
CONECT   94   37                                                      
CONECT   95   38                                                      
CONECT   96   38                                                      
CONECT   97   39                                                      
CONECT   98   39                                                      
CONECT   99   40                                                      
CONECT  100   40                                                      
CONECT  101   41                                                      
CONECT  102   41                                                      
CONECT  103   42                                                      
CONECT  104   42                                                      
CONECT  105   43                                                      
CONECT  106   43                                                      
CONECT  107   44                                                      
CONECT  108   44                                                      
CONECT  109   45                                                      
CONECT  110   45                                                      
CONECT  111   46                                                      
CONECT  112   46                                                      
CONECT  113   47                                                      
CONECT  114   47                                                      
CONECT  115   48                                                      
CONECT  116   48                                                      
CONECT  117   49                                                      
CONECT  118   49                                                      
CONECT  119   50                                                      
CONECT  120   50                                                      
CONECT  121   50                                                      
MASTER        0    0    0    0    0    0    0    0  121    0  121    0
END
