COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.230   1.316  -0.182  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.024   1.819  -3.291  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.726   2.529  -0.955  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.999   2.072  -2.039  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.794  -2.108   1.918  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.356  -0.272   1.565  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.885   0.000   0.159  1.00  0.00           C  
HETATM    8  C   UNL     1       4.864  -3.608  -2.526  1.00  0.00           C  
HETATM    9  C   UNL     1       5.791  -3.336  -1.537  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.616  -1.162   1.538  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.490  -0.619   2.695  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.256   0.910   2.612  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.763   1.046   2.248  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.264  -3.934   2.062  1.00  0.00           C  
HETATM   15  C   UNL     1       5.137   1.645   2.312  1.00  0.00           C  
HETATM   16  C   UNL     1       5.806   2.772   3.161  1.00  0.00           C  
HETATM   17  C   UNL     1       6.065   1.640   1.071  1.00  0.00           C  
HETATM   18  C   UNL     1       6.420   3.145   0.920  1.00  0.00           C  
HETATM   19  C   UNL     1       5.236   2.632  -0.990  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.648   1.717  -3.207  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.751   2.281  -2.210  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.102   2.636  -1.042  1.00  0.00           C  
HETATM   23  C   UNL     1       4.027  -2.637  -0.077  1.00  0.00           C  
HETATM   24  C   UNL     1       5.372  -2.850  -0.312  1.00  0.00           C  
HETATM   25  C   UNL     1       3.519  -3.390  -2.292  1.00  0.00           C  
HETATM   26  C   UNL     1       3.101  -2.899  -1.070  1.00  0.00           C  
HETATM   27  C   UNL     1       1.634  -2.666  -0.813  1.00  0.00           C  
HETATM   28  C   UNL     1       3.230   0.087  -0.616  1.00  0.00           C  
HETATM   29  C   UNL     1       1.269  -1.233  -1.205  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.242  -1.035  -1.063  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.500   1.954  -1.944  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.607   0.398  -1.455  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.128   0.561  -1.433  1.00  0.00           C  
HETATM   34  N   UNL     1      -3.294  -0.927   2.332  1.00  0.00           N  
HETATM   35  N   UNL     1       1.970  -0.293  -0.327  1.00  0.00           N  
HETATM   36  N   UNL     1      -2.617   0.398  -0.061  1.00  0.00           N  
HETATM   37  O   UNL     1       6.224   3.756   2.202  1.00  0.00           O  
HETATM   38  O   UNL     1       5.443   3.666  -0.007  1.00  0.00           O  
HETATM   39  O   UNL     1      -3.286  -2.674   0.961  1.00  0.00           O  
HETATM   40  O   UNL     1      -1.750  -2.661   2.563  1.00  0.00           O  
HETATM   41  O   UNL     1      -4.648  -0.141  -0.773  1.00  0.00           O  
HETATM   42  O   UNL     1       3.785  -0.350  -1.605  1.00  0.00           O  
HETATM   43  O   UNL     1      -0.627  -1.270   0.293  1.00  0.00           O  
HETATM   44  O   UNL     1       3.875   0.951   0.190  1.00  0.00           O  
HETATM   45  H   UNL     1       5.696   0.515  -0.755  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.531   1.542  -4.203  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.219   2.806  -0.043  1.00  0.00           H  
HETATM   48  H   UNL     1       5.191  -3.989  -3.482  1.00  0.00           H  
HETATM   49  H   UNL     1       6.841  -3.504  -1.720  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.136  -1.057   0.586  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.351  -2.204   1.716  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.540  -0.859   2.532  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.148  -1.010   3.654  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.880   1.349   1.833  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.458   1.380   3.574  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.171   1.197   3.150  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.620   1.881   1.563  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.940  -3.818   1.028  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.423  -4.267   2.671  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.064  -4.673   2.111  1.00  0.00           H  
HETATM   61  H   UNL     1       5.182   0.685   2.827  1.00  0.00           H  
HETATM   62  H   UNL     1       4.109   1.903   2.057  1.00  0.00           H  
HETATM   63  H   UNL     1       5.079   3.201   3.850  1.00  0.00           H  
HETATM   64  H   UNL     1       6.667   2.389   3.709  1.00  0.00           H  
HETATM   65  H   UNL     1       6.932   0.989   1.187  1.00  0.00           H  
HETATM   66  H   UNL     1       7.438   3.287   0.557  1.00  0.00           H  
HETATM   67  H   UNL     1       6.050   2.629  -1.715  1.00  0.00           H  
HETATM   68  H   UNL     1       4.279   2.773  -1.493  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.080   1.360  -4.053  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.825   2.364  -2.277  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.669   2.993  -0.196  1.00  0.00           H  
HETATM   72  H   UNL     1       3.699  -2.257   0.880  1.00  0.00           H  
HETATM   73  H   UNL     1       6.096  -2.637   0.460  1.00  0.00           H  
HETATM   74  H   UNL     1       2.795  -3.602  -3.065  1.00  0.00           H  
HETATM   75  H   UNL     1       1.046  -3.366  -1.406  1.00  0.00           H  
HETATM   76  H   UNL     1       1.422  -2.818   0.245  1.00  0.00           H  
HETATM   77  H   UNL     1       1.563  -1.053  -2.239  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.763  -1.734  -1.716  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.060   2.109  -2.930  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.119   2.708  -1.255  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.157   1.095  -0.748  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.234   0.607  -2.458  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.584  -0.194  -2.073  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.950  -0.511   3.138  1.00  0.00           H  
HETATM   85  H   UNL     1       1.527   0.057   0.461  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.027   0.577   0.688  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.201  -0.682   0.931  1.00  0.00           H  
CONECT    1   44   19   17   45                                       
CONECT    2   21   21   20   46                                       
CONECT    3   22   22    4   47                                       
CONECT    4    3   31   20   20                                       
CONECT    5   39   39   40   34                                       
CONECT    6   10   34    7   13                                       
CONECT    7   36    6   41   41                                       
CONECT    8   25   25    9   48                                       
CONECT    9   24   24    8   49                                       
CONECT   10   11    6   50   51                                       
CONECT   11   10   12   52   53                                       
CONECT   12   11   13   54   55                                       
CONECT   13    6   12   56   57                                       
CONECT   14   40   58   59   60                                       
CONECT   15   16   17   61   62                                       
CONECT   16   37   15   63   64                                       
CONECT   17    1   18   15   65                                       
CONECT   18   38   37   17   66                                       
CONECT   19   38    1   67   68                                       
CONECT   20    4    4    2   69                                       
CONECT   21   22    2    2   70                                       
CONECT   22    3    3   21   71                                       
CONECT   23   26   26   24   72                                       
CONECT   24   23    9    9   73                                       
CONECT   25   26    8    8   74                                       
CONECT   26   27   23   23   25                                       
CONECT   27   29   26   75   76                                       
CONECT   28   35   44   42   42                                       
CONECT   29   30   27   35   77                                       
CONECT   30   43   32   29   78                                       
CONECT   31    4   33   79   80                                       
CONECT   32   30   33   81   82                                       
CONECT   33   31   36   32   83                                       
CONECT   34    5    6   84                                            
CONECT   35   29   28   85                                            
CONECT   36   33    7   86                                            
CONECT   37   16   18                                                 
CONECT   38   19   18                                                 
CONECT   39    5    5                                                 
CONECT   40   14    5                                                 
CONECT   41    7    7                                                 
CONECT   42   28   28                                                 
CONECT   43   30   87                                                 
CONECT   44   28    1                                                 
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   36                                                      
CONECT   87   43                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
