COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.519   3.802  -0.641  1.00  0.00           C  
HETATM    2  C   UNL     1       3.123   2.440  -0.067  1.00  0.00           C  
HETATM    3  N   UNL     1       1.732   2.490   0.392  1.00  0.00           N  
HETATM    4  C   UNL     1       4.037   2.098   1.111  1.00  0.00           C  
HETATM    5  O   UNL     1       5.400   2.135   0.682  1.00  0.00           O  
HETATM    6  C   UNL     1       3.707   0.718   1.618  1.00  0.00           C  
HETATM    7  C   UNL     1       4.648  -0.190   1.705  1.00  0.00           C  
HETATM    8  C   UNL     1       4.318  -1.570   2.213  1.00  0.00           C  
HETATM    9  C   UNL     1       4.760  -2.612   1.183  1.00  0.00           C  
HETATM   10  C   UNL     1       4.425  -4.013   1.699  1.00  0.00           C  
HETATM   11  C   UNL     1       4.868  -5.055   0.669  1.00  0.00           C  
HETATM   12  C   UNL     1       4.533  -6.456   1.185  1.00  0.00           C  
HETATM   13  C   UNL     1       4.975  -7.497   0.155  1.00  0.00           C  
HETATM   14  C   UNL     1       4.640  -8.898   0.670  1.00  0.00           C  
HETATM   15  C   UNL     1       5.083  -9.940  -0.359  1.00  0.00           C  
HETATM   16  C   UNL     1       4.748 -11.341   0.156  1.00  0.00           C  
HETATM   17  C   UNL     1       5.190 -12.382  -0.873  1.00  0.00           C  
HETATM   18  C   UNL     1       4.855 -13.783  -0.358  1.00  0.00           C  
HETATM   19  C   UNL     1       5.298 -14.825  -1.388  1.00  0.00           C  
HETATM   20  C   UNL     1       4.963 -16.226  -0.872  1.00  0.00           C  
HETATM   21  C   UNL     1       3.868   6.093  -0.031  1.00  0.00           C  
HETATM   22  O   UNL     1       3.511   4.779   0.401  1.00  0.00           O  
HETATM   23  C   UNL     1       3.707   7.075   1.132  1.00  0.00           C  
HETATM   24  O   UNL     1       2.336   7.116   1.535  1.00  0.00           O  
HETATM   25  C   UNL     1       4.149   8.470   0.678  1.00  0.00           C  
HETATM   26  O   UNL     1       4.071   9.378   1.778  1.00  0.00           O  
HETATM   27  C   UNL     1       5.594   8.396   0.176  1.00  0.00           C  
HETATM   28  O   UNL     1       6.454   8.008   1.249  1.00  0.00           O  
HETATM   29  O   UNL     1       7.201   6.365  -2.545  1.00  0.00           O  
HETATM   30  C   UNL     1       5.683   7.364  -0.951  1.00  0.00           C  
HETATM   31  C   UNL     1       7.135   7.241  -1.418  1.00  0.00           C  
HETATM   32  O   UNL     1       5.228   6.097  -0.471  1.00  0.00           O  
HETATM   33  C   UNL     1       0.727   2.270  -0.478  1.00  0.00           C  
HETATM   34  O   UNL     1       0.973   2.032  -1.641  1.00  0.00           O  
HETATM   35  C   UNL     1      -0.703   2.321  -0.005  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.640   2.039  -1.182  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.092   2.091  -0.702  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.028   1.809  -1.878  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.480   1.861  -1.398  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.416   1.579  -2.575  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.868   1.630  -2.095  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.790   1.353  -3.254  1.00  0.00           C  
HETATM   43  C   UNL     1      -9.708   0.424  -3.153  1.00  0.00           C  
HETATM   44  C   UNL     1      -9.944  -0.261  -1.832  1.00  0.00           C  
HETATM   45  C   UNL     1     -11.427  -0.168  -1.466  1.00  0.00           C  
HETATM   46  C   UNL     1     -11.667  -0.863  -0.125  1.00  0.00           C  
HETATM   47  C   UNL     1     -13.149  -0.769   0.241  1.00  0.00           C  
HETATM   48  C   UNL     1     -13.389  -1.465   1.582  1.00  0.00           C  
HETATM   49  C   UNL     1     -14.872  -1.371   1.948  1.00  0.00           C  
HETATM   50  C   UNL     1     -15.111  -2.066   3.289  1.00  0.00           C  
HETATM   51  C   UNL     1     -16.594  -1.972   3.655  1.00  0.00           C  
HETATM   52  H   UNL     1       4.518   3.738  -1.072  1.00  0.00           H  
HETATM   53  H   UNL     1       2.807   4.090  -1.416  1.00  0.00           H  
HETATM   54  H   UNL     1       3.223   1.677  -0.839  1.00  0.00           H  
HETATM   55  H   UNL     1       1.536   2.680   1.323  1.00  0.00           H  
HETATM   56  H   UNL     1       3.888   2.824   1.910  1.00  0.00           H  
HETATM   57  H   UNL     1       5.587   1.572  -0.082  1.00  0.00           H  
HETATM   58  H   UNL     1       2.696   0.478   1.911  1.00  0.00           H  
HETATM   59  H   UNL     1       5.659   0.050   1.413  1.00  0.00           H  
HETATM   60  H   UNL     1       4.839  -1.745   3.154  1.00  0.00           H  
HETATM   61  H   UNL     1       3.242  -1.651   2.373  1.00  0.00           H  
HETATM   62  H   UNL     1       4.239  -2.437   0.242  1.00  0.00           H  
HETATM   63  H   UNL     1       5.835  -2.531   1.023  1.00  0.00           H  
HETATM   64  H   UNL     1       4.946  -4.188   2.640  1.00  0.00           H  
HETATM   65  H   UNL     1       3.350  -4.094   1.859  1.00  0.00           H  
HETATM   66  H   UNL     1       4.346  -4.879  -0.272  1.00  0.00           H  
HETATM   67  H   UNL     1       5.943  -4.974   0.509  1.00  0.00           H  
HETATM   68  H   UNL     1       5.054  -6.631   2.126  1.00  0.00           H  
HETATM   69  H   UNL     1       3.457  -6.536   1.344  1.00  0.00           H  
HETATM   70  H   UNL     1       4.454  -7.322  -0.786  1.00  0.00           H  
HETATM   71  H   UNL     1       6.050  -7.416  -0.005  1.00  0.00           H  
HETATM   72  H   UNL     1       5.161  -9.073   1.612  1.00  0.00           H  
HETATM   73  H   UNL     1       3.565  -8.979   0.830  1.00  0.00           H  
HETATM   74  H   UNL     1       4.561  -9.765  -1.300  1.00  0.00           H  
HETATM   75  H   UNL     1       6.158  -9.859  -0.519  1.00  0.00           H  
HETATM   76  H   UNL     1       5.269 -11.516   1.097  1.00  0.00           H  
HETATM   77  H   UNL     1       3.672 -11.422   0.316  1.00  0.00           H  
HETATM   78  H   UNL     1       4.669 -12.207  -1.814  1.00  0.00           H  
HETATM   79  H   UNL     1       6.265 -12.302  -1.033  1.00  0.00           H  
HETATM   80  H   UNL     1       5.377 -13.959   0.583  1.00  0.00           H  
HETATM   81  H   UNL     1       3.780 -13.865  -0.198  1.00  0.00           H  
HETATM   82  H   UNL     1       4.776 -14.650  -2.329  1.00  0.00           H  
HETATM   83  H   UNL     1       6.373 -14.744  -1.547  1.00  0.00           H  
HETATM   84  H   UNL     1       3.888 -16.307  -0.712  1.00  0.00           H  
HETATM   85  H   UNL     1       5.278 -16.968  -1.605  1.00  0.00           H  
HETATM   86  H   UNL     1       5.484 -16.401   0.069  1.00  0.00           H  
HETATM   87  H   UNL     1       3.220   6.394  -0.854  1.00  0.00           H  
HETATM   88  H   UNL     1       4.323   6.751   1.970  1.00  0.00           H  
HETATM   89  H   UNL     1       1.987   6.265   1.831  1.00  0.00           H  
HETATM   90  H   UNL     1       3.499   8.815  -0.126  1.00  0.00           H  
HETATM   91  H   UNL     1       3.184   9.468   2.152  1.00  0.00           H  
HETATM   92  H   UNL     1       5.900   9.373  -0.201  1.00  0.00           H  
HETATM   93  H   UNL     1       6.448   8.618   1.999  1.00  0.00           H  
HETATM   94  H   UNL     1       8.094   6.240  -2.894  1.00  0.00           H  
HETATM   95  H   UNL     1       5.058   7.681  -1.786  1.00  0.00           H  
HETATM   96  H   UNL     1       7.744   6.838  -0.608  1.00  0.00           H  
HETATM   97  H   UNL     1       7.510   8.224  -1.699  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.857   1.570   0.770  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.917   3.310   0.401  1.00  0.00           H  
HETATM  100  H   UNL     1      -1.486   2.791  -1.956  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.426   1.050  -1.587  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.245   1.340   0.073  1.00  0.00           H  
HETATM  103  H   UNL     1      -3.305   3.080  -0.296  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.874   2.560  -2.653  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.814   0.820  -2.284  1.00  0.00           H  
HETATM  106  H   UNL     1      -5.633   1.109  -0.624  1.00  0.00           H  
HETATM  107  H   UNL     1      -5.693   2.850  -0.993  1.00  0.00           H  
HETATM  108  H   UNL     1      -6.263   2.330  -3.350  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.203   0.590  -2.981  1.00  0.00           H  
HETATM  110  H   UNL     1      -8.022   0.879  -1.321  1.00  0.00           H  
HETATM  111  H   UNL     1      -8.082   2.619  -1.690  1.00  0.00           H  
HETATM  112  H   UNL     1      -8.695   1.920  -4.168  1.00  0.00           H  
HETATM  113  H   UNL     1     -10.296   0.148  -4.016  1.00  0.00           H  
HETATM  114  H   UNL     1      -9.655  -1.309  -1.909  1.00  0.00           H  
HETATM  115  H   UNL     1      -9.348   0.224  -1.059  1.00  0.00           H  
HETATM  116  H   UNL     1     -11.717   0.881  -1.389  1.00  0.00           H  
HETATM  117  H   UNL     1     -12.023  -0.653  -2.239  1.00  0.00           H  
HETATM  118  H   UNL     1     -11.377  -1.911  -0.202  1.00  0.00           H  
HETATM  119  H   UNL     1     -11.071  -0.377   0.648  1.00  0.00           H  
HETATM  120  H   UNL     1     -13.439   0.279   0.318  1.00  0.00           H  
HETATM  121  H   UNL     1     -13.745  -1.255  -0.532  1.00  0.00           H  
HETATM  122  H   UNL     1     -13.100  -2.513   1.505  1.00  0.00           H  
HETATM  123  H   UNL     1     -12.793  -0.979   2.355  1.00  0.00           H  
HETATM  124  H   UNL     1     -15.161  -0.323   2.025  1.00  0.00           H  
HETATM  125  H   UNL     1     -15.468  -1.856   1.175  1.00  0.00           H  
HETATM  126  H   UNL     1     -14.822  -3.114   3.212  1.00  0.00           H  
HETATM  127  H   UNL     1     -14.515  -1.581   4.062  1.00  0.00           H  
HETATM  128  H   UNL     1     -16.884  -0.924   3.732  1.00  0.00           H  
HETATM  129  H   UNL     1     -17.190  -2.458   2.882  1.00  0.00           H  
HETATM  130  H   UNL     1     -16.765  -2.468   4.610  1.00  0.00           H  
CONECT    1   22    2   52   53                                       
CONECT    2    1    3    4   54                                       
CONECT    3    2   33   55                                            
CONECT    4    2    5    6   56                                       
CONECT    5    4   57                                                 
CONECT    6    4    7    7   58                                       
CONECT    7    6    6    8   59                                       
CONECT    8    7    9   60   61                                       
CONECT    9    8   10   62   63                                       
CONECT   10    9   11   64   65                                       
CONECT   11   10   12   66   67                                       
CONECT   12   11   13   68   69                                       
CONECT   13   12   14   70   71                                       
CONECT   14   13   15   72   73                                       
CONECT   15   14   16   74   75                                       
CONECT   16   15   17   76   77                                       
CONECT   17   16   18   78   79                                       
CONECT   18   17   19   80   81                                       
CONECT   19   18   20   82   83                                       
CONECT   20   19   84   85   86                                       
CONECT   21   32   23   22   87                                       
CONECT   22   21    1                                                 
CONECT   23   25   21   24   88                                       
CONECT   24   23   89                                                 
CONECT   25   27   26   23   90                                       
CONECT   26   25   91                                                 
CONECT   27   30   28   25   92                                       
CONECT   28   27   93                                                 
CONECT   29   31   94                                                 
CONECT   30   31   27   32   95                                       
CONECT   31   29   30   96   97                                       
CONECT   32   30   21                                                 
CONECT   33    3   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   36   98   99                                       
CONECT   36   35   37  100  101                                       
CONECT   37   36   38  102  103                                       
CONECT   38   37   39  104  105                                       
CONECT   39   38   40  106  107                                       
CONECT   40   39   41  108  109                                       
CONECT   41   40   42  110  111                                       
CONECT   42   41   43   43  112                                       
CONECT   43   42   42   44  113                                       
CONECT   44   43   45  114  115                                       
CONECT   45   44   46  116  117                                       
CONECT   46   45   47  118  119                                       
CONECT   47   46   48  120  121                                       
CONECT   48   47   49  122  123                                       
CONECT   49   50   48  124  125                                       
CONECT   50   51   49  126  127                                       
CONECT   51   50  128  129  130                                       
CONECT   52    1                                                      
CONECT   53    1                                                      
CONECT   54    2                                                      
CONECT   55    3                                                      
CONECT   56    4                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   10                                                      
CONECT   66   11                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   12                                                      
CONECT   70   13                                                      
CONECT   71   13                                                      
CONECT   72   14                                                      
CONECT   73   14                                                      
CONECT   74   15                                                      
CONECT   75   15                                                      
CONECT   76   16                                                      
CONECT   77   16                                                      
CONECT   78   17                                                      
CONECT   79   17                                                      
CONECT   80   18                                                      
CONECT   81   18                                                      
CONECT   82   19                                                      
CONECT   83   19                                                      
CONECT   84   20                                                      
CONECT   85   20                                                      
CONECT   86   20                                                      
CONECT   87   21                                                      
CONECT   88   23                                                      
CONECT   89   24                                                      
CONECT   90   25                                                      
CONECT   91   26                                                      
CONECT   92   27                                                      
CONECT   93   28                                                      
CONECT   94   29                                                      
CONECT   95   30                                                      
CONECT   96   31                                                      
CONECT   97   31                                                      
CONECT   98   35                                                      
CONECT   99   35                                                      
CONECT  100   36                                                      
CONECT  101   36                                                      
CONECT  102   37                                                      
CONECT  103   37                                                      
CONECT  104   38                                                      
CONECT  105   38                                                      
CONECT  106   39                                                      
CONECT  107   39                                                      
CONECT  108   40                                                      
CONECT  109   40                                                      
CONECT  110   41                                                      
CONECT  111   41                                                      
CONECT  112   42                                                      
CONECT  113   43                                                      
CONECT  114   44                                                      
CONECT  115   44                                                      
CONECT  116   45                                                      
CONECT  117   45                                                      
CONECT  118   46                                                      
CONECT  119   46                                                      
CONECT  120   47                                                      
CONECT  121   47                                                      
CONECT  122   48                                                      
CONECT  123   48                                                      
CONECT  124   49                                                      
CONECT  125   49                                                      
CONECT  126   50                                                      
CONECT  127   50                                                      
CONECT  128   51                                                      
CONECT  129   51                                                      
CONECT  130   51                                                      
MASTER        0    0    0    0    0    0    0    0  130    0  130    0
END
