COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.986   7.321  -2.214  1.00  0.00           C  
HETATM    2  C   UNL     1       2.625   7.797  -2.731  1.00  0.00           C  
HETATM    3  O   UNL     1       1.959   8.531  -1.699  1.00  0.00           O  
HETATM    4  C   UNL     1       1.752   7.779  -0.500  1.00  0.00           C  
HETATM    5  C   UNL     1       3.103   7.303   0.038  1.00  0.00           C  
HETATM    6  N   UNL     1       3.790   6.519  -0.998  1.00  0.00           N  
HETATM    7  C   UNL     1       5.070   5.996  -0.502  1.00  0.00           C  
HETATM    8  C   UNL     1       4.808   4.973   0.605  1.00  0.00           C  
HETATM    9  O   UNL     1       4.124   3.843   0.058  1.00  0.00           O  
HETATM   10  C   UNL     1       3.814   2.835   0.915  1.00  0.00           C  
HETATM   11  C   UNL     1       3.155   1.706   0.450  1.00  0.00           C  
HETATM   12  C   UNL     1       4.160   2.931   2.255  1.00  0.00           C  
HETATM   13  C   UNL     1       3.843   1.905   3.124  1.00  0.00           C  
HETATM   14  C   UNL     1       3.181   0.783   2.659  1.00  0.00           C  
HETATM   15  C   UNL     1       2.846   0.680   1.322  1.00  0.00           C  
HETATM   16  C   UNL     1       2.125  -0.543   0.818  1.00  0.00           C  
HETATM   17  C   UNL     1       3.129  -1.679   0.615  1.00  0.00           C  
HETATM   18  C   UNL     1       2.420  -2.881  -0.013  1.00  0.00           C  
HETATM   19  C   UNL     1       3.409  -4.000  -0.214  1.00  0.00           C  
HETATM   20  C   UNL     1       4.120  -4.088  -1.396  1.00  0.00           C  
HETATM   21  C   UNL     1       3.607  -4.932   0.787  1.00  0.00           C  
HETATM   22  C   UNL     1       4.514  -5.961   0.608  1.00  0.00           C  
HETATM   23  C   UNL     1       5.226  -6.058  -0.577  1.00  0.00           C  
HETATM   24  O   UNL     1       6.118  -7.069  -0.755  1.00  0.00           O  
HETATM   25  C   UNL     1       6.271  -7.996   0.322  1.00  0.00           C  
HETATM   26  C   UNL     1       5.030  -5.116  -1.582  1.00  0.00           C  
HETATM   27  O   UNL     1       5.730  -5.204  -2.745  1.00  0.00           O  
HETATM   28  C   UNL     1       5.477  -4.203  -3.732  1.00  0.00           C  
HETATM   29  O   UNL     1       1.125  -0.950   1.790  1.00  0.00           O  
HETATM   30  C   UNL     1       0.028  -1.561   1.316  1.00  0.00           C  
HETATM   31  O   UNL     1      -0.093  -1.750   0.129  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.053  -2.011   2.265  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.351  -3.496   2.037  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.542  -3.913   2.903  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.776  -3.105   2.498  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.507  -1.615   2.731  1.00  0.00           C  
HETATM   37  N   UNL     1      -2.279  -1.240   2.017  1.00  0.00           N  
HETATM   38  C   UNL     1      -2.277  -0.207   1.150  1.00  0.00           C  
HETATM   39  O   UNL     1      -1.276   0.050   0.516  1.00  0.00           O  
HETATM   40  C   UNL     1      -3.519   0.627   0.969  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.128   2.023   0.480  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.395   2.825   0.174  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.997   4.288  -0.062  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.494   4.871   1.260  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.478   3.954   1.877  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.325   2.716   1.541  1.00  0.00           C  
HETATM   47  C   UNL     1      -4.420  -0.028  -0.046  1.00  0.00           C  
HETATM   48  C   UNL     1      -5.697  -0.415   0.315  1.00  0.00           C  
HETATM   49  C   UNL     1      -3.970  -0.234  -1.336  1.00  0.00           C  
HETATM   50  C   UNL     1      -4.796  -0.835  -2.273  1.00  0.00           C  
HETATM   51  O   UNL     1      -4.352  -1.038  -3.542  1.00  0.00           O  
HETATM   52  C   UNL     1      -3.023  -0.606  -3.842  1.00  0.00           C  
HETATM   53  C   UNL     1      -6.079  -1.232  -1.913  1.00  0.00           C  
HETATM   54  O   UNL     1      -6.893  -1.822  -2.830  1.00  0.00           O  
HETATM   55  C   UNL     1      -6.833  -3.247  -2.928  1.00  0.00           C  
HETATM   56  C   UNL     1      -6.530  -1.018  -0.616  1.00  0.00           C  
HETATM   57  O   UNL     1      -7.786  -1.399  -0.260  1.00  0.00           O  
HETATM   58  C   UNL     1      -8.182  -1.148   1.090  1.00  0.00           C  
HETATM   59  H   UNL     1       4.472   6.713  -2.977  1.00  0.00           H  
HETATM   60  H   UNL     1       4.610   8.185  -1.985  1.00  0.00           H  
HETATM   61  H   UNL     1       2.770   8.439  -3.599  1.00  0.00           H  
HETATM   62  H   UNL     1       2.021   6.934  -3.012  1.00  0.00           H  
HETATM   63  H   UNL     1       1.264   8.409   0.244  1.00  0.00           H  
HETATM   64  H   UNL     1       1.122   6.916  -0.716  1.00  0.00           H  
HETATM   65  H   UNL     1       3.713   8.167   0.305  1.00  0.00           H  
HETATM   66  H   UNL     1       2.946   6.683   0.920  1.00  0.00           H  
HETATM   67  H   UNL     1       5.609   5.517  -1.319  1.00  0.00           H  
HETATM   68  H   UNL     1       5.668   6.816  -0.104  1.00  0.00           H  
HETATM   69  H   UNL     1       5.756   4.650   1.035  1.00  0.00           H  
HETATM   70  H   UNL     1       4.193   5.428   1.382  1.00  0.00           H  
HETATM   71  H   UNL     1       2.885   1.630  -0.593  1.00  0.00           H  
HETATM   72  H   UNL     1       4.677   3.807   2.618  1.00  0.00           H  
HETATM   73  H   UNL     1       4.112   1.979   4.167  1.00  0.00           H  
HETATM   74  H   UNL     1       2.935  -0.018   3.340  1.00  0.00           H  
HETATM   75  H   UNL     1       1.638  -0.314  -0.130  1.00  0.00           H  
HETATM   76  H   UNL     1       3.928  -1.344  -0.046  1.00  0.00           H  
HETATM   77  H   UNL     1       3.551  -1.969   1.577  1.00  0.00           H  
HETATM   78  H   UNL     1       1.620  -3.217   0.648  1.00  0.00           H  
HETATM   79  H   UNL     1       1.998  -2.592  -0.976  1.00  0.00           H  
HETATM   80  H   UNL     1       3.966  -3.356  -2.175  1.00  0.00           H  
HETATM   81  H   UNL     1       3.053  -4.858   1.711  1.00  0.00           H  
HETATM   82  H   UNL     1       4.668  -6.688   1.391  1.00  0.00           H  
HETATM   83  H   UNL     1       7.010  -8.750   0.050  1.00  0.00           H  
HETATM   84  H   UNL     1       6.604  -7.466   1.214  1.00  0.00           H  
HETATM   85  H   UNL     1       5.315  -8.481   0.523  1.00  0.00           H  
HETATM   86  H   UNL     1       4.426  -4.234  -4.020  1.00  0.00           H  
HETATM   87  H   UNL     1       5.713  -3.220  -3.322  1.00  0.00           H  
HETATM   88  H   UNL     1       6.099  -4.390  -4.608  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.725  -1.856   3.293  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.589  -3.662   0.986  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.477  -4.089   2.310  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.740  -4.975   2.761  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.312  -3.723   3.951  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.992  -3.275   1.443  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.630  -3.419   3.099  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.344  -1.028   2.352  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.383  -1.429   3.798  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.043   0.709   1.921  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.529   1.934  -0.426  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.873   2.427  -0.721  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.083   2.760   1.017  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.205   4.337  -0.809  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.863   4.852  -0.408  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.038   5.844   1.076  1.00  0.00           H  
HETATM  105  H   UNL     1      -4.333   4.993   1.945  1.00  0.00           H  
HETATM  106  H   UNL     1      -1.837   4.354   2.648  1.00  0.00           H  
HETATM  107  H   UNL     1      -1.568   2.142   2.055  1.00  0.00           H  
HETATM  108  H   UNL     1      -6.047  -0.249   1.323  1.00  0.00           H  
HETATM  109  H   UNL     1      -2.973   0.075  -1.615  1.00  0.00           H  
HETATM  110  H   UNL     1      -2.943   0.468  -3.671  1.00  0.00           H  
HETATM  111  H   UNL     1      -2.317  -1.130  -3.197  1.00  0.00           H  
HETATM  112  H   UNL     1      -2.796  -0.826  -4.884  1.00  0.00           H  
HETATM  113  H   UNL     1      -7.530  -3.588  -3.694  1.00  0.00           H  
HETATM  114  H   UNL     1      -5.821  -3.550  -3.196  1.00  0.00           H  
HETATM  115  H   UNL     1      -7.102  -3.689  -1.969  1.00  0.00           H  
HETATM  116  H   UNL     1      -7.512  -1.676   1.769  1.00  0.00           H  
HETATM  117  H   UNL     1      -8.133  -0.078   1.290  1.00  0.00           H  
HETATM  118  H   UNL     1      -9.203  -1.500   1.240  1.00  0.00           H  
CONECT    1    2    6   59   60                                       
CONECT    2    1    3   61   62                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   63   64                                       
CONECT    5    6    4   65   66                                       
CONECT    6    1    7    5                                            
CONECT    7    8    6   67   68                                       
CONECT    8    9    7   69   70                                       
CONECT    9   10    8                                                 
CONECT   10   11   11   12    9                                       
CONECT   11   15   10   10   71                                       
CONECT   12   13   13   10   72                                       
CONECT   13   14   12   12   73                                       
CONECT   14   15   15   13   74                                       
CONECT   15   16   14   14   11                                       
CONECT   16   17   29   15   75                                       
CONECT   17   18   16   76   77                                       
CONECT   18   19   17   78   79                                       
CONECT   19   20   18   21   21                                       
CONECT   20   26   26   19   80                                       
CONECT   21   19   19   22   81                                       
CONECT   22   23   23   21   82                                       
CONECT   23   26   24   22   22                                       
CONECT   24   23   25                                                 
CONECT   25   24   83   84   85                                       
CONECT   26   27   20   20   23                                       
CONECT   27   28   26                                                 
CONECT   28   27   86   87   88                                       
CONECT   29   30   16                                                 
CONECT   30   32   31   31   29                                       
CONECT   31   30   30                                                 
CONECT   32   37   30   33   89                                       
CONECT   33   32   34   90   91                                       
CONECT   34   33   35   92   93                                       
CONECT   35   36   34   94   95                                       
CONECT   36   37   35   96   97                                       
CONECT   37   38   32   36                                            
CONECT   38   39   39   40   37                                       
CONECT   39   38   38                                                 
CONECT   40   41   38   47   98                                       
CONECT   41   42   46   40   99                                       
CONECT   42   43   41  100  101                                       
CONECT   43   44   42  102  103                                       
CONECT   44   43   45  104  105                                       
CONECT   45   44   46   46  106                                       
CONECT   46   45   45   41  107                                       
CONECT   47   49   40   48   48                                       
CONECT   48   47   47   56  108                                       
CONECT   49   50   50   47  109                                       
CONECT   50   51   49   49   53                                       
CONECT   51   52   50                                                 
CONECT   52   51  110  111  112                                       
CONECT   53   50   54   56   56                                       
CONECT   54   53   55                                                 
CONECT   55   54  113  114  115                                       
CONECT   56   53   53   48   57                                       
CONECT   57   56   58                                                 
CONECT   58   57  116  117  118                                       
CONECT   59    1                                                      
CONECT   60    1                                                      
CONECT   61    2                                                      
CONECT   62    2                                                      
CONECT   63    4                                                      
CONECT   64    4                                                      
CONECT   65    5                                                      
CONECT   66    5                                                      
CONECT   67    7                                                      
CONECT   68    7                                                      
CONECT   69    8                                                      
CONECT   70    8                                                      
CONECT   71   11                                                      
CONECT   72   12                                                      
CONECT   73   13                                                      
CONECT   74   14                                                      
CONECT   75   16                                                      
CONECT   76   17                                                      
CONECT   77   17                                                      
CONECT   78   18                                                      
CONECT   79   18                                                      
CONECT   80   20                                                      
CONECT   81   21                                                      
CONECT   82   22                                                      
CONECT   83   25                                                      
CONECT   84   25                                                      
CONECT   85   25                                                      
CONECT   86   28                                                      
CONECT   87   28                                                      
CONECT   88   28                                                      
CONECT   89   32                                                      
CONECT   90   33                                                      
CONECT   91   33                                                      
CONECT   92   34                                                      
CONECT   93   34                                                      
CONECT   94   35                                                      
CONECT   95   35                                                      
CONECT   96   36                                                      
CONECT   97   36                                                      
CONECT   98   40                                                      
CONECT   99   41                                                      
CONECT  100   42                                                      
CONECT  101   42                                                      
CONECT  102   43                                                      
CONECT  103   43                                                      
CONECT  104   44                                                      
CONECT  105   44                                                      
CONECT  106   45                                                      
CONECT  107   46                                                      
CONECT  108   48                                                      
CONECT  109   49                                                      
CONECT  110   52                                                      
CONECT  111   52                                                      
CONECT  112   52                                                      
CONECT  113   55                                                      
CONECT  114   55                                                      
CONECT  115   55                                                      
CONECT  116   58                                                      
CONECT  117   58                                                      
CONECT  118   58                                                      
MASTER        0    0    0    0    0    0    0    0  118    0  118    0
END
