COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.654   3.451  -0.785  1.00  0.00           C  
HETATM    2  C   UNL     1       2.205   3.488  -1.277  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.063   3.093  -0.308  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.499   2.123  -0.540  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.727   1.351  -0.949  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.225   1.377  -1.002  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.723   1.402  -1.055  1.00  0.00           C  
HETATM    8  C   UNL     1       3.427  -5.586   0.309  1.00  0.00           C  
HETATM    9  C   UNL     1       3.296  -4.474  -0.501  1.00  0.00           C  
HETATM   10  C   UNL     1       4.466  -3.544  -0.699  1.00  0.00           C  
HETATM   11  C   UNL     1       4.900  -1.208  -0.267  1.00  0.00           C  
HETATM   12  C   UNL     1       4.738   0.051   0.544  1.00  0.00           C  
HETATM   13  C   UNL     1       3.491  -0.062   1.423  1.00  0.00           C  
HETATM   14  C   UNL     1       3.853   2.244   0.096  1.00  0.00           C  
HETATM   15  C   UNL     1       5.235   5.122   0.086  1.00  0.00           C  
HETATM   16  C   UNL     1       1.276   3.804  -0.102  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.179   4.132  -0.423  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.979   2.095  -0.479  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.477   2.120  -0.533  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.028  -0.959  -1.013  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.944  -2.343  -0.423  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.244  -2.281   0.936  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.970  -1.281   1.839  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.372  -1.337   3.246  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.099  -0.337   4.148  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.130  -3.887  -0.772  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.289  -4.787  -1.640  1.00  0.00           C  
HETATM   28  C   UNL     1       1.021  -5.069  -0.952  1.00  0.00           C  
HETATM   29  C   UNL     1       2.094  -4.215  -1.132  1.00  0.00           C  
HETATM   30  C   UNL     1       1.151  -6.180  -0.140  1.00  0.00           C  
HETATM   31  C   UNL     1       2.354  -6.439   0.490  1.00  0.00           C  
HETATM   32  N   UNL     1       4.267  -2.343   0.137  1.00  0.00           N  
HETATM   33  N   UNL     1       4.590   1.197  -0.382  1.00  0.00           N  
HETATM   34  N   UNL     1       3.942   4.666  -0.020  1.00  0.00           N  
HETATM   35  N   UNL     1       5.505   6.263   0.804  1.00  0.00           N  
HETATM   36  N   UNL     1       6.204   4.471  -0.494  1.00  0.00           N  
HETATM   37  N   UNL     1      -2.418   3.449  -0.860  1.00  0.00           N  
HETATM   38  N   UNL     1      -9.925   2.116  -0.605  1.00  0.00           N  
HETATM   39  N   UNL     1      -3.681   0.015  -0.322  1.00  0.00           N  
HETATM   40  N   UNL     1      -2.524  -0.390   5.499  1.00  0.00           N  
HETATM   41  N   UNL     1      -2.165  -3.203  -1.344  1.00  0.00           N  
HETATM   42  O   UNL     1      -1.598   1.577   0.062  1.00  0.00           O  
HETATM   43  O   UNL     1      -2.522  -0.717  -2.088  1.00  0.00           O  
HETATM   44  O   UNL     1      -0.893  -3.773   0.412  1.00  0.00           O  
HETATM   45  O   UNL     1       3.370   2.203   1.207  1.00  0.00           O  
HETATM   46  O   UNL     1       5.587  -1.211  -1.267  1.00  0.00           O  
HETATM   47  H   UNL     1       4.326   3.391  -1.640  1.00  0.00           H  
HETATM   48  H   UNL     1       2.101   4.259  -2.040  1.00  0.00           H  
HETATM   49  H   UNL     1       1.940   2.520  -1.700  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.023   2.500  -1.222  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.261   2.439   0.541  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.749   1.247  -2.033  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.202   1.355  -2.092  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.243   0.356  -0.619  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.700   1.380  -2.145  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.741   0.381  -0.672  1.00  0.00           H  
HETATM   57  H   UNL     1       4.366  -5.788   0.802  1.00  0.00           H  
HETATM   58  H   UNL     1       5.386  -4.047  -0.402  1.00  0.00           H  
HETATM   59  H   UNL     1       4.528  -3.253  -1.747  1.00  0.00           H  
HETATM   60  H   UNL     1       5.616   0.200   1.172  1.00  0.00           H  
HETATM   61  H   UNL     1       3.446  -1.058   1.864  1.00  0.00           H  
HETATM   62  H   UNL     1       3.536   0.684   2.216  1.00  0.00           H  
HETATM   63  H   UNL     1       2.601   0.106   0.816  1.00  0.00           H  
HETATM   64  H   UNL     1       1.733   3.458   0.825  1.00  0.00           H  
HETATM   65  H   UNL     1       1.112   4.880  -0.048  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.344   4.602   0.547  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.901   4.889  -1.156  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.002   2.116   0.610  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.961   3.115  -0.863  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.500   2.141   0.557  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.458   3.140  -0.916  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.947  -2.751  -0.302  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.260  -3.267   1.399  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.211  -1.961   0.798  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.855  -0.276   1.434  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.029  -1.536   1.884  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.487  -2.342   3.651  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.313  -1.082   3.201  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.983   0.668   3.743  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.157  -0.591   4.193  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.818  -5.724  -1.811  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.100  -4.297  -2.595  1.00  0.00           H  
HETATM   83  H   UNL     1       1.992  -3.347  -1.765  1.00  0.00           H  
HETATM   84  H   UNL     1       0.313  -6.846   0.001  1.00  0.00           H  
HETATM   85  H   UNL     1       2.455  -7.308   1.123  1.00  0.00           H  
HETATM   86  H   UNL     1       3.712  -2.362   0.932  1.00  0.00           H  
HETATM   87  H   UNL     1       4.988   1.204  -1.266  1.00  0.00           H  
HETATM   88  H   UNL     1       3.220   5.150   0.412  1.00  0.00           H  
HETATM   89  H   UNL     1       4.784   6.747   1.235  1.00  0.00           H  
HETATM   90  H   UNL     1       6.417   6.584   0.878  1.00  0.00           H  
HETATM   91  H   UNL     1       7.116   4.793  -0.419  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.124   3.910  -1.341  1.00  0.00           H  
HETATM   93  H   UNL     1     -10.762   1.660  -0.937  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.937   2.205   0.400  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.095  -0.159   0.538  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.530  -0.221   5.476  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.988   0.262   6.115  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.375  -3.275  -2.288  1.00  0.00           H  
CONECT    1   34    2   14   47                                       
CONECT    2    1   16   48   49                                       
CONECT    3   16   17   50   51                                       
CONECT    4   37   42   42    5                                       
CONECT    5    4   39   18   52                                       
CONECT    6   18   19   53   54                                       
CONECT    7   19   38   55   56                                       
CONECT    8    9    9   31   57                                       
CONECT    9   10    8    8   29                                       
CONECT   10   32    9   58   59                                       
CONECT   11   12   32   46   46                                       
CONECT   12   33   13   11   60                                       
CONECT   13   12   61   62   63                                       
CONECT   14   33    1   45   45                                       
CONECT   15   36   36   34   35                                       
CONECT   16    2    3   64   65                                       
CONECT   17    3   37   66   67                                       
CONECT   18    5    6   68   69                                       
CONECT   19    6    7   70   71                                       
CONECT   20   43   43   21   39                                       
CONECT   21   20   41   22   72                                       
CONECT   22   21   23   73   74                                       
CONECT   23   22   24   75   76                                       
CONECT   24   23   25   77   78                                       
CONECT   25   24   40   79   80                                       
CONECT   26   44   44   27   41                                       
CONECT   27   28   26   81   82                                       
CONECT   28   29   29   30   27                                       
CONECT   29    9   28   28   83                                       
CONECT   30   31   31   28   84                                       
CONECT   31    8   30   30   85                                       
CONECT   32   11   10   86                                            
CONECT   33   12   14   87                                            
CONECT   34   15    1   88                                            
CONECT   35   15   89   90                                            
CONECT   36   15   15   91                                            
CONECT   37   17    4   92                                            
CONECT   38    7   93   94                                            
CONECT   39   20    5   95                                            
CONECT   40   25   96   97                                            
CONECT   41   26   21   98                                            
CONECT   42    4    4                                                 
CONECT   43   20   20                                                 
CONECT   44   26   26                                                 
CONECT   45   14   14                                                 
CONECT   46   11   11                                                 
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   13                                                      
CONECT   63   13                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   19                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   25                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   31                                                      
CONECT   86   32                                                      
CONECT   87   33                                                      
CONECT   88   34                                                      
CONECT   89   35                                                      
CONECT   90   35                                                      
CONECT   91   36                                                      
CONECT   92   37                                                      
CONECT   93   38                                                      
CONECT   94   38                                                      
CONECT   95   39                                                      
CONECT   96   40                                                      
CONECT   97   40                                                      
CONECT   98   41                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
