COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -12.213   0.240  -1.028  1.00  0.00           O  
HETATM    2  C   UNL     1     -11.180  -0.290  -0.695  1.00  0.00           C  
HETATM    3  C   UNL     1     -11.145  -1.305   0.431  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.949  -0.956   1.329  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.874   0.036  -1.387  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.080   1.212  -2.343  1.00  0.00           C  
HETATM    7  O   UNL     1      -8.904   0.385  -0.397  1.00  0.00           O  
HETATM    8  C   UNL     1      -8.716  -0.750   0.445  1.00  0.00           C  
HETATM    9  O   UNL     1      -7.570  -0.542   1.272  1.00  0.00           O  
HETATM   10  C   UNL     1      -6.430  -0.564   0.411  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.405   0.468   0.887  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.046   1.858   0.887  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.278   0.467   0.013  1.00  0.00           O  
HETATM   14  C   UNL     1      -5.788  -1.956   0.446  1.00  0.00           C  
HETATM   15  O   UNL     1      -6.678  -2.912  -0.136  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.482  -1.915  -0.356  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.606  -0.780   0.178  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.372  -0.753  -0.542  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.516   0.168   0.137  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.696   0.957  -0.886  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.639   1.754  -1.790  1.00  0.00           C  
HETATM   22  O   UNL     1       0.075   0.059  -1.681  1.00  0.00           O  
HETATM   23  C   UNL     1      -0.562  -0.601   1.057  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.331  -1.483   1.945  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.365  -2.385   2.585  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.884  -0.633   3.008  1.00  0.00           C  
HETATM   27  C   UNL     1       0.384  -1.441   0.191  1.00  0.00           C  
HETATM   28  C   UNL     1       1.061  -0.531  -0.835  1.00  0.00           C  
HETATM   29  O   UNL     1       1.781   0.499  -0.155  1.00  0.00           O  
HETATM   30  C   UNL     1       2.645   1.105  -1.119  1.00  0.00           C  
HETATM   31  C   UNL     1       2.217   2.555  -1.338  1.00  0.00           C  
HETATM   32  C   UNL     1       2.532   3.348  -0.064  1.00  0.00           C  
HETATM   33  O   UNL     1       2.010   2.659   1.074  1.00  0.00           O  
HETATM   34  C   UNL     1       1.904   4.740  -0.156  1.00  0.00           C  
HETATM   35  C   UNL     1       2.335   5.574   1.052  1.00  0.00           C  
HETATM   36  C   UNL     1       4.066   1.041  -0.622  1.00  0.00           C  
HETATM   37  C   UNL     1       4.708   2.125  -0.073  1.00  0.00           C  
HETATM   38  C   UNL     1       4.048   3.474   0.062  1.00  0.00           C  
HETATM   39  C   UNL     1       6.021   2.007   0.380  1.00  0.00           C  
HETATM   40  C   UNL     1       6.697   0.801   0.276  1.00  0.00           C  
HETATM   41  C   UNL     1       6.048  -0.313  -0.292  1.00  0.00           C  
HETATM   42  C   UNL     1       4.733  -0.185  -0.736  1.00  0.00           C  
HETATM   43  O   UNL     1       4.098  -1.251  -1.281  1.00  0.00           O  
HETATM   44  C   UNL     1       8.091   0.670   0.752  1.00  0.00           C  
HETATM   45  O   UNL     1       8.582   1.525   1.463  1.00  0.00           O  
HETATM   46  C   UNL     1       8.881  -0.514   0.351  1.00  0.00           C  
HETATM   47  C   UNL     1      10.259  -0.540   0.530  1.00  0.00           C  
HETATM   48  C   UNL     1      10.985  -1.657   0.147  1.00  0.00           C  
HETATM   49  C   UNL     1      10.353  -2.748  -0.412  1.00  0.00           C  
HETATM   50  C   UNL     1       8.228  -1.625  -0.218  1.00  0.00           C  
HETATM   51  C   UNL     1       6.765  -1.597  -0.408  1.00  0.00           C  
HETATM   52  O   UNL     1       6.157  -2.620  -0.658  1.00  0.00           O  
HETATM   53  C   UNL     1       8.973  -2.744  -0.599  1.00  0.00           C  
HETATM   54  O   UNL     1       8.357  -3.819  -1.149  1.00  0.00           O  
HETATM   55  H   UNL     1     -11.021  -2.308   0.021  1.00  0.00           H  
HETATM   56  H   UNL     1     -12.069  -1.251   1.007  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.765  -1.773   2.027  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.161  -0.041   1.881  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.530  -0.834  -1.946  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.420   2.082  -1.781  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.139   1.446  -2.840  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.829   0.947  -3.089  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.561  -1.635  -0.171  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.737  -0.330  -0.608  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.082   0.218   1.898  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.847   1.888   1.626  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.293   2.605   1.137  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.454   2.069  -0.101  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.576  -2.236   1.477  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.229  -3.768  -0.103  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.706  -1.739  -1.408  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.957  -2.864  -0.247  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.404  -0.946   1.237  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.119   0.856   0.730  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.029   1.643  -0.364  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.176   2.491  -1.193  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.060   2.261  -2.561  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.352   1.076  -2.258  1.00  0.00           H  
HETATM   79  H   UNL     1       0.018   0.104   1.654  1.00  0.00           H  
HETATM   80  H   UNL     1       0.421  -1.797   3.060  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.873  -2.987   3.338  1.00  0.00           H  
HETATM   82  H   UNL     1       0.075  -3.039   1.833  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.527   0.129   2.567  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.466  -1.245   3.697  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.069  -0.152   3.550  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.185  -2.214  -0.326  1.00  0.00           H  
HETATM   87  H   UNL     1       1.141  -1.905   0.823  1.00  0.00           H  
HETATM   88  H   UNL     1       1.752  -1.118  -1.440  1.00  0.00           H  
HETATM   89  H   UNL     1       2.569   0.562  -2.061  1.00  0.00           H  
HETATM   90  H   UNL     1       1.147   2.595  -1.541  1.00  0.00           H  
HETATM   91  H   UNL     1       2.767   2.977  -2.179  1.00  0.00           H  
HETATM   92  H   UNL     1       2.238   3.188   1.850  1.00  0.00           H  
HETATM   93  H   UNL     1       0.818   4.649  -0.166  1.00  0.00           H  
HETATM   94  H   UNL     1       2.237   5.229  -1.072  1.00  0.00           H  
HETATM   95  H   UNL     1       1.888   6.566   0.987  1.00  0.00           H  
HETATM   96  H   UNL     1       2.003   5.086   1.968  1.00  0.00           H  
HETATM   97  H   UNL     1       3.421   5.665   1.062  1.00  0.00           H  
HETATM   98  H   UNL     1       4.420   4.135  -0.721  1.00  0.00           H  
HETATM   99  H   UNL     1       4.294   3.898   1.036  1.00  0.00           H  
HETATM  100  H   UNL     1       6.515   2.862   0.817  1.00  0.00           H  
HETATM  101  H   UNL     1       4.275  -1.226  -2.231  1.00  0.00           H  
HETATM  102  H   UNL     1      10.763   0.309   0.967  1.00  0.00           H  
HETATM  103  H   UNL     1      12.056  -1.672   0.288  1.00  0.00           H  
HETATM  104  H   UNL     1      10.932  -3.611  -0.706  1.00  0.00           H  
HETATM  105  H   UNL     1       8.345  -3.676  -2.105  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    5                                       
CONECT    3    2    4   55   56                                       
CONECT    4    3    8   57   58                                       
CONECT    5    2    6    7   59                                       
CONECT    6    5   60   61   62                                       
CONECT    7    5    8                                                 
CONECT    8    4    7    9   63                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   14   64                                       
CONECT   11   10   12   13   65                                       
CONECT   12   11   66   67   68                                       
CONECT   13   11   17                                                 
CONECT   14   10   15   16   69                                       
CONECT   15   14   70                                                 
CONECT   16   14   17   71   72                                       
CONECT   17   13   16   18   73                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   23   74                                       
CONECT   20   19   21   22   75                                       
CONECT   21   20   76   77   78                                       
CONECT   22   20   28                                                 
CONECT   23   19   24   27   79                                       
CONECT   24   23   25   26                                            
CONECT   25   24   80   81   82                                       
CONECT   26   24   83   84   85                                       
CONECT   27   23   28   86   87                                       
CONECT   28   22   27   29   88                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   36   89                                       
CONECT   31   30   32   90   91                                       
CONECT   32   31   33   34   38                                       
CONECT   33   32   92                                                 
CONECT   34   32   35   93   94                                       
CONECT   35   34   95   96   97                                       
CONECT   36   30   37   37   42                                       
CONECT   37   36   36   38   39                                       
CONECT   38   32   37   98   99                                       
CONECT   39   37   40   40  100                                       
CONECT   40   39   39   41   44                                       
CONECT   41   40   42   42   51                                       
CONECT   42   36   41   41   43                                       
CONECT   43   42  101                                                 
CONECT   44   40   45   45   46                                       
CONECT   45   44   44                                                 
CONECT   46   44   47   47   50                                       
CONECT   47   46   46   48  102                                       
CONECT   48   47   49   49  103                                       
CONECT   49   48   48   53  104                                       
CONECT   50   46   51   53   53                                       
CONECT   51   41   50   52   52                                       
CONECT   52   51   51                                                 
CONECT   53   49   50   50   54                                       
CONECT   54   53  105                                                 
CONECT   55    3                                                      
CONECT   56    3                                                      
CONECT   57    4                                                      
CONECT   58    4                                                      
CONECT   59    5                                                      
CONECT   60    6                                                      
CONECT   61    6                                                      
CONECT   62    6                                                      
CONECT   63    8                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   12                                                      
CONECT   67   12                                                      
CONECT   68   12                                                      
CONECT   69   14                                                      
CONECT   70   15                                                      
CONECT   71   16                                                      
CONECT   72   16                                                      
CONECT   73   17                                                      
CONECT   74   19                                                      
CONECT   75   20                                                      
CONECT   76   21                                                      
CONECT   77   21                                                      
CONECT   78   21                                                      
CONECT   79   23                                                      
CONECT   80   25                                                      
CONECT   81   25                                                      
CONECT   82   25                                                      
CONECT   83   26                                                      
CONECT   84   26                                                      
CONECT   85   26                                                      
CONECT   86   27                                                      
CONECT   87   27                                                      
CONECT   88   28                                                      
CONECT   89   30                                                      
CONECT   90   31                                                      
CONECT   91   31                                                      
CONECT   92   33                                                      
CONECT   93   34                                                      
CONECT   94   34                                                      
CONECT   95   35                                                      
CONECT   96   35                                                      
CONECT   97   35                                                      
CONECT   98   38                                                      
CONECT   99   38                                                      
CONECT  100   39                                                      
CONECT  101   43                                                      
CONECT  102   47                                                      
CONECT  103   48                                                      
CONECT  104   49                                                      
CONECT  105   54                                                      
MASTER        0    0    0    0    0    0    0    0  105    0  105    0
END
