COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.232   3.343   0.787  1.00  0.00           C  
HETATM    2  C   UNL     1     -19.610  -1.392   0.715  1.00  0.00           C  
HETATM    3  C   UNL     1     -18.378  -1.575  -0.175  1.00  0.00           C  
HETATM    4  C   UNL     1     -17.115  -1.273   0.634  1.00  0.00           C  
HETATM    5  C   UNL     1     -15.884  -1.455  -0.256  1.00  0.00           C  
HETATM    6  C   UNL     1     -14.621  -1.153   0.553  1.00  0.00           C  
HETATM    7  C   UNL     1     -13.389  -1.335  -0.336  1.00  0.00           C  
HETATM    8  C   UNL     1     -12.127  -1.033   0.473  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.895  -1.216  -0.417  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.632  -0.914   0.392  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.401  -1.096  -0.498  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.138  -0.794   0.311  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.907  -0.976  -0.578  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.644  -0.674   0.231  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.412  -0.857  -0.659  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.149  -0.555   0.150  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.009  -1.522   1.193  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.928  -0.615  -0.769  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.068   0.352  -1.812  1.00  0.00           O  
HETATM   20  C   UNL     1       0.335  -0.313   0.040  1.00  0.00           C  
HETATM   21  C   UNL     1       0.283   1.107   0.540  1.00  0.00           C  
HETATM   22  C   UNL     1       1.215   1.959   0.191  1.00  0.00           C  
HETATM   23  O   UNL     1       2.407   3.505   1.584  1.00  0.00           O  
HETATM   24  C   UNL     1       3.629   3.318   0.866  1.00  0.00           C  
HETATM   25  C   UNL     1       4.812   3.487   1.821  1.00  0.00           C  
HETATM   26  O   UNL     1       4.786   2.447   2.800  1.00  0.00           O  
HETATM   27  C   UNL     1       3.725   4.357  -0.255  1.00  0.00           C  
HETATM   28  O   UNL     1       3.754   5.668   0.311  1.00  0.00           O  
HETATM   29  C   UNL     1       2.506   4.221  -1.172  1.00  0.00           C  
HETATM   30  O   UNL     1       2.549   5.234  -2.179  1.00  0.00           O  
HETATM   31  C   UNL     1       1.232   4.383  -0.337  1.00  0.00           C  
HETATM   32  O   UNL     1       0.087   4.186  -1.169  1.00  0.00           O  
HETATM   33  N   UNL     1       1.514  -0.488  -0.812  1.00  0.00           N  
HETATM   34  C   UNL     1       2.709  -0.776  -0.259  1.00  0.00           C  
HETATM   35  O   UNL     1       2.808  -0.890   0.945  1.00  0.00           O  
HETATM   36  C   UNL     1       3.921  -0.956  -1.135  1.00  0.00           C  
HETATM   37  C   UNL     1       5.138  -1.273  -0.263  1.00  0.00           C  
HETATM   38  C   UNL     1       6.369  -1.456  -1.153  1.00  0.00           C  
HETATM   39  C   UNL     1       7.586  -1.773  -0.281  1.00  0.00           C  
HETATM   40  C   UNL     1       8.817  -1.955  -1.171  1.00  0.00           C  
HETATM   41  C   UNL     1      10.034  -2.273  -0.299  1.00  0.00           C  
HETATM   42  C   UNL     1      11.265  -2.455  -1.188  1.00  0.00           C  
HETATM   43  C   UNL     1      12.463  -2.768  -0.329  1.00  0.00           C  
HETATM   44  C   UNL     1      13.249  -1.742   0.161  1.00  0.00           C  
HETATM   45  C   UNL     1      14.348  -2.028   0.948  1.00  0.00           C  
HETATM   46  C   UNL     1      14.661  -3.341   1.246  1.00  0.00           C  
HETATM   47  C   UNL     1      13.875  -4.368   0.757  1.00  0.00           C  
HETATM   48  C   UNL     1      12.774  -4.081  -0.027  1.00  0.00           C  
HETATM   49  H   UNL     1       0.348   3.482   1.410  1.00  0.00           H  
HETATM   50  H   UNL     1     -20.509  -1.607   0.138  1.00  0.00           H  
HETATM   51  H   UNL     1     -19.549  -2.074   1.562  1.00  0.00           H  
HETATM   52  H   UNL     1     -19.647  -0.365   1.077  1.00  0.00           H  
HETATM   53  H   UNL     1     -18.341  -2.602  -0.537  1.00  0.00           H  
HETATM   54  H   UNL     1     -18.438  -0.892  -1.023  1.00  0.00           H  
HETATM   55  H   UNL     1     -17.153  -0.245   0.996  1.00  0.00           H  
HETATM   56  H   UNL     1     -17.055  -1.955   1.482  1.00  0.00           H  
HETATM   57  H   UNL     1     -15.846  -2.482  -0.618  1.00  0.00           H  
HETATM   58  H   UNL     1     -15.944  -0.773  -1.104  1.00  0.00           H  
HETATM   59  H   UNL     1     -14.658  -0.125   0.915  1.00  0.00           H  
HETATM   60  H   UNL     1     -14.561  -1.835   1.401  1.00  0.00           H  
HETATM   61  H   UNL     1     -13.352  -2.363  -0.698  1.00  0.00           H  
HETATM   62  H   UNL     1     -13.450  -0.653  -1.184  1.00  0.00           H  
HETATM   63  H   UNL     1     -12.164  -0.006   0.835  1.00  0.00           H  
HETATM   64  H   UNL     1     -12.066  -1.715   1.321  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.858  -2.243  -0.779  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.955  -0.534  -1.265  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.670   0.114   0.754  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.572  -1.596   1.240  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.363  -2.123  -0.860  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.461  -0.414  -1.346  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.175   0.234   0.674  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.078  -1.476   1.159  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.869  -2.004  -0.940  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.967  -0.294  -1.426  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.681   0.353   0.593  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.583  -1.356   1.079  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.375  -1.884  -1.021  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.472  -0.175  -1.507  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.227   0.441   0.586  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.934  -2.432   0.877  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.851  -1.611  -1.205  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.143   1.263  -1.497  1.00  0.00           H  
HETATM   83  H   UNL     1       0.395  -0.995   0.888  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.522   1.423   1.187  1.00  0.00           H  
HETATM   85  H   UNL     1       1.972   1.670  -0.523  1.00  0.00           H  
HETATM   86  H   UNL     1       3.648   2.316   0.437  1.00  0.00           H  
HETATM   87  H   UNL     1       5.744   3.432   1.258  1.00  0.00           H  
HETATM   88  H   UNL     1       4.744   4.455   2.317  1.00  0.00           H  
HETATM   89  H   UNL     1       5.509   2.491   3.441  1.00  0.00           H  
HETATM   90  H   UNL     1       4.635   4.188  -0.831  1.00  0.00           H  
HETATM   91  H   UNL     1       3.815   6.378  -0.343  1.00  0.00           H  
HETATM   92  H   UNL     1       2.511   3.238  -1.643  1.00  0.00           H  
HETATM   93  H   UNL     1       1.806   5.207  -2.796  1.00  0.00           H  
HETATM   94  H   UNL     1       1.203   5.384   0.093  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.757   4.269  -0.704  1.00  0.00           H  
HETATM   96  H   UNL     1       1.435  -0.396  -1.775  1.00  0.00           H  
HETATM   97  H   UNL     1       3.749  -1.777  -1.830  1.00  0.00           H  
HETATM   98  H   UNL     1       4.105  -0.038  -1.694  1.00  0.00           H  
HETATM   99  H   UNL     1       5.311  -0.452   0.433  1.00  0.00           H  
HETATM  100  H   UNL     1       4.955  -2.190   0.296  1.00  0.00           H  
HETATM  101  H   UNL     1       6.197  -2.277  -1.848  1.00  0.00           H  
HETATM  102  H   UNL     1       6.553  -0.538  -1.712  1.00  0.00           H  
HETATM  103  H   UNL     1       7.759  -0.952   0.415  1.00  0.00           H  
HETATM  104  H   UNL     1       7.403  -2.690   0.278  1.00  0.00           H  
HETATM  105  H   UNL     1       8.644  -2.777  -1.866  1.00  0.00           H  
HETATM  106  H   UNL     1       9.000  -1.038  -1.730  1.00  0.00           H  
HETATM  107  H   UNL     1      10.207  -1.452   0.397  1.00  0.00           H  
HETATM  108  H   UNL     1       9.851  -3.190   0.261  1.00  0.00           H  
HETATM  109  H   UNL     1      11.092  -3.277  -1.884  1.00  0.00           H  
HETATM  110  H   UNL     1      11.448  -1.538  -1.748  1.00  0.00           H  
HETATM  111  H   UNL     1      13.005  -0.716  -0.072  1.00  0.00           H  
HETATM  112  H   UNL     1      14.963  -1.227   1.331  1.00  0.00           H  
HETATM  113  H   UNL     1      15.521  -3.566   1.861  1.00  0.00           H  
HETATM  114  H   UNL     1      14.120  -5.393   0.989  1.00  0.00           H  
HETATM  115  H   UNL     1      12.157  -4.882  -0.407  1.00  0.00           H  
CONECT    1   23   31   22   49                                       
CONECT    2    3   50   51   52                                       
CONECT    3    2    4   53   54                                       
CONECT    4    3    5   55   56                                       
CONECT    5    4    6   57   58                                       
CONECT    6    5    7   59   60                                       
CONECT    7    6    8   61   62                                       
CONECT    8    7    9   63   64                                       
CONECT    9   10    8   65   66                                       
CONECT   10   11    9   67   68                                       
CONECT   11   10   12   69   70                                       
CONECT   12   11   13   71   72                                       
CONECT   13   14   12   73   74                                       
CONECT   14   15   13   75   76                                       
CONECT   15   16   14   77   78                                       
CONECT   16   17   18   15   79                                       
CONECT   17   16   80                                                 
CONECT   18   19   16   20   81                                       
CONECT   19   18   82                                                 
CONECT   20   21   18   33   83                                       
CONECT   21   22   22   20   84                                       
CONECT   22    1   21   21   85                                       
CONECT   23    1   24                                                 
CONECT   24   23   25   27   86                                       
CONECT   25   24   26   87   88                                       
CONECT   26   25   89                                                 
CONECT   27   24   28   29   90                                       
CONECT   28   27   91                                                 
CONECT   29   31   30   27   92                                       
CONECT   30   29   93                                                 
CONECT   31    1   32   29   94                                       
CONECT   32   31   95                                                 
CONECT   33   20   34   96                                            
CONECT   34   33   35   35   36                                       
CONECT   35   34   34                                                 
CONECT   36   34   37   97   98                                       
CONECT   37   36   38   99  100                                       
CONECT   38   37   39  101  102                                       
CONECT   39   38   40  103  104                                       
CONECT   40   39   41  105  106                                       
CONECT   41   40   42  107  108                                       
CONECT   42   41   43  109  110                                       
CONECT   43   44   42   48   48                                       
CONECT   44   45   45   43  111                                       
CONECT   45   44   44   46  112                                       
CONECT   46   45   47   47  113                                       
CONECT   47   46   46   48  114                                       
CONECT   48   43   43   47  115                                       
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    2                                                      
CONECT   53    3                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    4                                                      
CONECT   57    5                                                      
CONECT   58    5                                                      
CONECT   59    6                                                      
CONECT   60    6                                                      
CONECT   61    7                                                      
CONECT   62    7                                                      
CONECT   63    8                                                      
CONECT   64    8                                                      
CONECT   65    9                                                      
CONECT   66    9                                                      
CONECT   67   10                                                      
CONECT   68   10                                                      
CONECT   69   11                                                      
CONECT   70   11                                                      
CONECT   71   12                                                      
CONECT   72   12                                                      
CONECT   73   13                                                      
CONECT   74   13                                                      
CONECT   75   14                                                      
CONECT   76   14                                                      
CONECT   77   15                                                      
CONECT   78   15                                                      
CONECT   79   16                                                      
CONECT   80   17                                                      
CONECT   81   18                                                      
CONECT   82   19                                                      
CONECT   83   20                                                      
CONECT   84   21                                                      
CONECT   85   22                                                      
CONECT   86   24                                                      
CONECT   87   25                                                      
CONECT   88   25                                                      
CONECT   89   26                                                      
CONECT   90   27                                                      
CONECT   91   28                                                      
CONECT   92   29                                                      
CONECT   93   30                                                      
CONECT   94   31                                                      
CONECT   95   32                                                      
CONECT   96   33                                                      
CONECT   97   36                                                      
CONECT   98   36                                                      
CONECT   99   37                                                      
CONECT  100   37                                                      
CONECT  101   38                                                      
CONECT  102   38                                                      
CONECT  103   39                                                      
CONECT  104   39                                                      
CONECT  105   40                                                      
CONECT  106   40                                                      
CONECT  107   41                                                      
CONECT  108   41                                                      
CONECT  109   42                                                      
CONECT  110   42                                                      
CONECT  111   44                                                      
CONECT  112   45                                                      
CONECT  113   46                                                      
CONECT  114   47                                                      
CONECT  115   48                                                      
MASTER        0    0    0    0    0    0    0    0  115    0  115    0
END
