COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.895  -0.912  -0.511  1.00  0.00           C  
HETATM    2  O   UNL     1       2.443   0.356  -0.849  1.00  0.00           O  
HETATM    3  C   UNL     1       3.754   0.350  -0.501  1.00  0.00           C  
HETATM    4  C   UNL     1       4.089  -0.945   0.175  1.00  0.00           C  
HETATM    5  O   UNL     1       2.892  -1.708   0.131  1.00  0.00           O  
HETATM    6  C   UNL     1      -0.244  -7.601  -3.187  1.00  0.00           C  
HETATM    7  C   UNL     1       0.882  -7.034  -3.654  1.00  0.00           C  
HETATM    8  C   UNL     1       0.457  -5.896  -4.565  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.108  -6.647  -5.802  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.536  -7.068  -5.307  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.410  -6.798  -3.754  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.786  -5.366  -3.775  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.826  -8.507  -5.626  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.034  -9.245  -6.203  1.00  0.00           O  
HETATM   15  C   UNL     1      -1.703  -4.302  -4.465  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.631  -6.157  -5.884  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.199  -4.691  -5.845  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.367  -3.963  -6.522  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.824  -4.980  -7.603  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.050  -6.288  -7.343  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.514  -3.570  -5.595  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.372  -8.806  -2.333  1.00  0.00           C  
HETATM   23  C   UNL     1       0.198 -10.038  -3.041  1.00  0.00           C  
HETATM   24  C   UNL     1       0.317  -8.606  -0.979  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.657  -6.925  -2.927  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.723  -7.366  -3.328  1.00  0.00           O  
HETATM   27  O   UNL     1      -2.442  -6.478  -1.665  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.405  -4.761  -2.398  1.00  0.00           C  
HETATM   29  O   UNL     1       0.282  -3.557  -2.639  1.00  0.00           O  
HETATM   30  C   UNL     1       0.712  -2.935  -1.431  1.00  0.00           C  
HETATM   31  O   UNL     1      -0.406  -2.652  -0.587  1.00  0.00           O  
HETATM   32  C   UNL     1      -0.025  -2.067   0.664  1.00  0.00           C  
HETATM   33  C   UNL     1       0.696  -0.730   0.434  1.00  0.00           C  
HETATM   34  C   UNL     1       1.447  -1.637  -1.786  1.00  0.00           C  
HETATM   35  O   UNL     1       0.562  -0.785  -2.519  1.00  0.00           O  
HETATM   36  C   UNL     1      -1.295  -1.886   1.489  1.00  0.00           C  
HETATM   37  O   UNL     1       1.131  -0.205   1.685  1.00  0.00           O  
HETATM   38  C   UNL     1       1.804   1.034   1.520  1.00  0.00           C  
HETATM   39  O   UNL     1       4.531   1.269  -0.706  1.00  0.00           O  
HETATM   40  C   UNL     1       5.191  -1.692  -0.547  1.00  0.00           C  
HETATM   41  C   UNL     1       5.579  -3.020   0.116  1.00  0.00           C  
HETATM   42  C   UNL     1       6.717  -3.745  -0.607  1.00  0.00           C  
HETATM   43  C   UNL     1       7.109  -5.073   0.051  1.00  0.00           C  
HETATM   44  C   UNL     1       8.230  -5.810  -0.687  1.00  0.00           C  
HETATM   45  C   UNL     1       8.625  -7.138  -0.027  1.00  0.00           C  
HETATM   46  C   UNL     1       9.759  -7.892  -0.715  1.00  0.00           C  
HETATM   47  C   UNL     1       9.417  -8.291  -2.128  1.00  0.00           C  
HETATM   48  O   UNL     1      10.501  -8.311  -2.943  1.00  0.00           O  
HETATM   49  O   UNL     1       8.287  -8.574  -2.503  1.00  0.00           O  
HETATM   50  H   UNL     1      10.320  -8.571  -3.871  1.00  0.00           H  
HETATM   51  H   UNL     1      10.007  -8.800  -0.152  1.00  0.00           H  
HETATM   52  H   UNL     1      10.680  -7.299  -0.736  1.00  0.00           H  
HETATM   53  H   UNL     1       7.735  -7.777   0.008  1.00  0.00           H  
HETATM   54  H   UNL     1       8.911  -6.947   1.015  1.00  0.00           H  
HETATM   55  H   UNL     1       7.909  -6.037  -1.709  1.00  0.00           H  
HETATM   56  H   UNL     1       9.108  -5.159  -0.773  1.00  0.00           H  
HETATM   57  H   UNL     1       7.431  -4.849   1.074  1.00  0.00           H  
HETATM   58  H   UNL     1       6.227  -5.720   0.130  1.00  0.00           H  
HETATM   59  H   UNL     1       7.607  -3.106  -0.616  1.00  0.00           H  
HETATM   60  H   UNL     1       6.441  -3.920  -1.654  1.00  0.00           H  
HETATM   61  H   UNL     1       4.688  -3.657   0.133  1.00  0.00           H  
HETATM   62  H   UNL     1       5.859  -2.838   1.160  1.00  0.00           H  
HETATM   63  H   UNL     1       4.859  -1.907  -1.572  1.00  0.00           H  
HETATM   64  H   UNL     1       6.079  -1.051  -0.636  1.00  0.00           H  
HETATM   65  H   UNL     1       4.345  -0.760   1.222  1.00  0.00           H  
HETATM   66  H   UNL     1       2.297  -1.850  -2.444  1.00  0.00           H  
HETATM   67  H   UNL     1       0.937  -0.703  -3.408  1.00  0.00           H  
HETATM   68  H   UNL     1       1.376  -3.643  -0.923  1.00  0.00           H  
HETATM   69  H   UNL     1       0.233  -5.462  -1.877  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.312  -4.573  -1.840  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.167  -3.347  -4.540  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.563  -4.123  -3.809  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.356  -4.518  -6.526  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.004  -3.049  -7.008  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.675  -2.489  -5.620  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.441  -4.064  -5.901  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.292  -3.862  -4.565  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.602  -4.608  -8.610  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.903  -5.161  -7.553  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.675  -7.167  -7.524  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.180  -6.349  -8.007  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.543  -6.299  -5.286  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.816  -8.876  -5.308  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.111  -6.023  -6.698  1.00  0.00           H  
HETATM   85  H   UNL     1       0.510  -7.517  -6.064  1.00  0.00           H  
HETATM   86  H   UNL     1       1.242  -5.166  -4.766  1.00  0.00           H  
HETATM   87  H   UNL     1       1.894  -7.369  -3.488  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.440  -8.989  -2.139  1.00  0.00           H  
HETATM   89  H   UNL     1       1.266  -9.918  -3.252  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.315 -10.210  -3.995  1.00  0.00           H  
HETATM   91  H   UNL     1       0.074 -10.939  -2.431  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.099  -7.737  -0.457  1.00  0.00           H  
HETATM   93  H   UNL     1       1.394  -8.443  -1.099  1.00  0.00           H  
HETATM   94  H   UNL     1       0.179  -9.480  -0.333  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.247  -6.550  -1.109  1.00  0.00           H  
HETATM   96  H   UNL     1       0.619  -2.767   1.209  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.086  -1.309   2.395  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.057  -1.355   0.910  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.702  -2.857   1.786  1.00  0.00           H  
HETATM  100  H   UNL     1       0.003   0.002   0.001  1.00  0.00           H  
HETATM  101  H   UNL     1       1.539   1.706   2.340  1.00  0.00           H  
HETATM  102  H   UNL     1       1.520   1.479   0.563  1.00  0.00           H  
HETATM  103  H   UNL     1       2.882   0.857   1.531  1.00  0.00           H  
CONECT    1    5    2   34   33                                       
CONECT    2    1    3                                                 
CONECT    3    2    4   39   39                                       
CONECT    4    3   40   65    5                                       
CONECT    5    1    4                                                 
CONECT    6    7    7   22   11                                       
CONECT    7    6    6    8   87                                       
CONECT    8    7    9   12   86                                       
CONECT    9    8   10   84   85                                       
CONECT   10    9   16   13   11                                       
CONECT   11    6   10   12   25                                       
CONECT   12    8   11   28   15                                       
CONECT   13   10   83   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   12   71   72   17                                       
CONECT   16   10   20   17   82                                       
CONECT   17   15   16   73   18                                       
CONECT   18   17   74   21   19                                       
CONECT   19   18   78   79   20                                       
CONECT   20   16   19   80   81                                       
CONECT   21   18   75   76   77                                       
CONECT   22    6   88   23   24                                       
CONECT   23   22   89   90   91                                       
CONECT   24   22   92   93   94                                       
CONECT   25   11   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   95                                                 
CONECT   28   12   29   69   70                                       
CONECT   29   28   30                                                 
CONECT   30   29   34   68   31                                       
CONECT   31   30   32                                                 
CONECT   32   31   96   36   33                                       
CONECT   33    1   32  100   37                                       
CONECT   34    1   30   66   35                                       
CONECT   35   34   67                                                 
CONECT   36   32   97   98   99                                       
CONECT   37   33   38                                                 
CONECT   38   37  101  102  103                                       
CONECT   39    3    3                                                 
CONECT   40    4   41   63   64                                       
CONECT   41   40   42   61   62                                       
CONECT   42   41   43   59   60                                       
CONECT   43   42   44   57   58                                       
CONECT   44   43   45   55   56                                       
CONECT   45   44   46   53   54                                       
CONECT   46   45   47   51   52                                       
CONECT   47   46   48   49   49                                       
CONECT   48   47   50                                                 
CONECT   49   47   47                                                 
CONECT   50   48                                                      
CONECT   51   46                                                      
CONECT   52   46                                                      
CONECT   53   45                                                      
CONECT   54   45                                                      
CONECT   55   44                                                      
CONECT   56   44                                                      
CONECT   57   43                                                      
CONECT   58   43                                                      
CONECT   59   42                                                      
CONECT   60   42                                                      
CONECT   61   41                                                      
CONECT   62   41                                                      
CONECT   63   40                                                      
CONECT   64   40                                                      
CONECT   65    4                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   30                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   15                                                      
CONECT   72   15                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   21                                                      
CONECT   76   21                                                      
CONECT   77   21                                                      
CONECT   78   19                                                      
CONECT   79   19                                                      
CONECT   80   20                                                      
CONECT   81   20                                                      
CONECT   82   16                                                      
CONECT   83   13                                                      
CONECT   84    9                                                      
CONECT   85    9                                                      
CONECT   86    8                                                      
CONECT   87    7                                                      
CONECT   88   22                                                      
CONECT   89   23                                                      
CONECT   90   23                                                      
CONECT   91   23                                                      
CONECT   92   24                                                      
CONECT   93   24                                                      
CONECT   94   24                                                      
CONECT   95   27                                                      
CONECT   96   32                                                      
CONECT   97   36                                                      
CONECT   98   36                                                      
CONECT   99   36                                                      
CONECT  100   33                                                      
CONECT  101   38                                                      
CONECT  102   38                                                      
CONECT  103   38                                                      
MASTER        0    0    0    0    0    0    0    0  103    0  103    0
END
