COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.362   4.435   0.075  1.00  0.00           C  
HETATM    2  C   UNL     1       4.507   4.058  -2.113  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.189  -0.120   1.424  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.252  -0.801   0.832  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.860  -1.969   1.516  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.944  -3.471   3.386  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.484  -3.736   1.566  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.742  -0.383  -0.402  1.00  0.00           C  
HETATM    9  C   UNL     1       1.637  -2.747   0.798  1.00  0.00           C  
HETATM   10  C   UNL     1       0.015  -0.293   1.257  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.156   1.177   0.871  1.00  0.00           C  
HETATM   12  C   UNL     1       0.986   1.981   1.435  1.00  0.00           C  
HETATM   13  C   UNL     1       2.652   3.750   1.244  1.00  0.00           C  
HETATM   14  C   UNL     1       3.907   3.374  -0.883  1.00  0.00           C  
HETATM   15  C   UNL     1       4.990   2.556  -0.176  1.00  0.00           C  
HETATM   16  C   UNL     1       2.222   4.787   2.249  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.478   1.702   1.436  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.626   0.970   0.791  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.375  -2.385   2.754  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.995  -4.148   2.793  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.922  -2.650   0.926  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.167   0.713  -1.038  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.683   1.164  -2.353  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.813   0.563  -2.904  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.290   0.987  -4.128  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.648   2.007  -4.808  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.525   2.606  -4.266  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.044   2.194  -3.040  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.111   1.392  -0.431  1.00  0.00           C  
HETATM   30  C   UNL     1       2.740  -3.374  -0.057  1.00  0.00           C  
HETATM   31  C   UNL     1       4.023  -2.553   0.084  1.00  0.00           C  
HETATM   32  C   UNL     1       5.110  -3.170  -0.758  1.00  0.00           C  
HETATM   33  C   UNL     1       5.937  -4.136  -0.218  1.00  0.00           C  
HETATM   34  C   UNL     1       6.934  -4.702  -0.991  1.00  0.00           C  
HETATM   35  C   UNL     1       7.103  -4.302  -2.303  1.00  0.00           C  
HETATM   36  C   UNL     1       6.275  -3.336  -2.843  1.00  0.00           C  
HETATM   37  C   UNL     1       5.275  -2.773  -2.072  1.00  0.00           C  
HETATM   38  N   UNL     1       0.405  -3.536   0.663  1.00  0.00           N  
HETATM   39  N   UNL     1       1.474   3.033   0.748  1.00  0.00           N  
HETATM   40  N   UNL     1       3.108   5.264   3.146  1.00  0.00           N  
HETATM   41  O   UNL     1       0.869  -1.055  -1.305  1.00  0.00           O  
HETATM   42  O   UNL     1       1.079   5.193   2.251  1.00  0.00           O  
HETATM   43  O   UNL     1       1.467   1.682   2.508  1.00  0.00           O  
HETATM   44  O   UNL     1       2.571  -0.245   0.375  1.00  0.00           O  
HETATM   45  P   UNL     1       1.330  -1.040   0.238  1.00  0.00           P  
HETATM   46  H   UNL     1       2.655   5.074  -0.455  1.00  0.00           H  
HETATM   47  H   UNL     1       4.186   5.040   0.454  1.00  0.00           H  
HETATM   48  H   UNL     1       5.317   4.719  -1.803  1.00  0.00           H  
HETATM   49  H   UNL     1       4.896   3.302  -2.796  1.00  0.00           H  
HETATM   50  H   UNL     1       3.736   4.641  -2.617  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.809  -0.443   2.382  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.566  -3.797   4.344  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.304  -4.268   1.107  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.564  -0.908  -0.864  1.00  0.00           H  
HETATM   55  H   UNL     1       1.948  -2.737   1.843  1.00  0.00           H  
HETATM   56  H   UNL     1       0.288  -0.363   2.310  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.922  -0.825   1.088  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.164   1.269  -0.215  1.00  0.00           H  
HETATM   59  H   UNL     1       3.333   3.044   1.720  1.00  0.00           H  
HETATM   60  H   UNL     1       3.098   2.714  -1.193  1.00  0.00           H  
HETATM   61  H   UNL     1       5.378   1.801  -0.858  1.00  0.00           H  
HETATM   62  H   UNL     1       5.800   3.217   0.135  1.00  0.00           H  
HETATM   63  H   UNL     1       4.562   2.069   0.701  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.502   1.539   2.513  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.564   2.769   1.228  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.555  -1.857   3.219  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.434  -5.001   3.289  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.306  -2.329  -0.032  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.315  -0.233  -2.375  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.166   0.522  -4.556  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.024   2.335  -5.766  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.027   3.401  -4.801  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.167   2.663  -2.618  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.664   2.243  -0.924  1.00  0.00           H  
HETATM   75  H   UNL     1       2.923  -4.395   0.278  1.00  0.00           H  
HETATM   76  H   UNL     1       2.428  -3.385  -1.101  1.00  0.00           H  
HETATM   77  H   UNL     1       3.839  -1.531  -0.251  1.00  0.00           H  
HETATM   78  H   UNL     1       4.334  -2.542   1.129  1.00  0.00           H  
HETATM   79  H   UNL     1       5.806  -4.449   0.807  1.00  0.00           H  
HETATM   80  H   UNL     1       7.581  -5.457  -0.569  1.00  0.00           H  
HETATM   81  H   UNL     1       7.882  -4.744  -2.907  1.00  0.00           H  
HETATM   82  H   UNL     1       6.407  -3.023  -3.868  1.00  0.00           H  
HETATM   83  H   UNL     1       4.625  -2.021  -2.495  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.321  -3.180   1.267  1.00  0.00           H  
HETATM   85  H   UNL     1       0.095  -3.561  -0.297  1.00  0.00           H  
HETATM   86  H   UNL     1       1.046   3.316  -0.075  1.00  0.00           H  
HETATM   87  H   UNL     1       2.831   5.932   3.793  1.00  0.00           H  
HETATM   88  H   UNL     1       4.022   4.940   3.145  1.00  0.00           H  
HETATM   89  H   UNL     1       0.060  -1.559  -1.469  1.00  0.00           H  
CONECT    1   13   14   46   47                                       
CONECT    2   14   48   49   50                                       
CONECT    3   18   18    4   51                                       
CONECT    4    8    8    3    5                                       
CONECT    5    4   19   19   21                                       
CONECT    6   19   20   20   52                                       
CONECT    7   21   21   20   53                                       
CONECT    8   22    4    4   54                                       
CONECT    9   30   38   45   55                                       
CONECT   10   11   45   56   57                                       
CONECT   11   12   10   17   58                                       
CONECT   12   43   43   39   11                                       
CONECT   13   16   39    1   59                                       
CONECT   14    1   15    2   60                                       
CONECT   15   14   61   62   63                                       
CONECT   16   40   42   42   13                                       
CONECT   17   18   11   64   65                                       
CONECT   18   29   17    3    3                                       
CONECT   19    5    5    6   66                                       
CONECT   20    6    6    7   67                                       
CONECT   21    5    7    7   68                                       
CONECT   22   23   29   29    8                                       
CONECT   23   24   24   28   22                                       
CONECT   24   25   23   23   69                                       
CONECT   25   26   26   24   70                                       
CONECT   26   25   25   27   71                                       
CONECT   27   26   28   28   72                                       
CONECT   28   27   27   23   73                                       
CONECT   29   22   22   18   74                                       
CONECT   30   31    9   75   76                                       
CONECT   31   32   30   77   78                                       
CONECT   32   33   31   37   37                                       
CONECT   33   34   34   32   79                                       
CONECT   34   33   33   35   80                                       
CONECT   35   34   36   36   81                                       
CONECT   36   35   35   37   82                                       
CONECT   37   32   32   36   83                                       
CONECT   38    9   84   85                                            
CONECT   39   13   12   86                                            
CONECT   40   16   87   88                                            
CONECT   41   45   89                                                 
CONECT   42   16   16                                                 
CONECT   43   12   12                                                 
CONECT   44   45   45                                                 
CONECT   45   10    9   41   44                                       
CONECT   45   44                                                      
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   38                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   40                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
