COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.385  -0.596 -15.455  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.756   0.068 -14.246  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.653   0.899 -13.877  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.986   1.644 -12.582  1.00  0.00           C  
HETATM    5  O   UNL     1      -2.241   0.699 -11.541  1.00  0.00           O  
HETATM    6  C   UNL     1      -2.544   1.452 -10.365  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.828   0.495  -9.206  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.678  -0.317  -8.967  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.004  -1.185  -7.879  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.808  -2.088  -7.570  1.00  0.00           C  
HETATM   11  O   UNL     1       0.317  -1.282  -7.216  1.00  0.00           O  
HETATM   12  C   UNL     1       1.396  -2.178  -6.941  1.00  0.00           C  
HETATM   13  C   UNL     1       2.639  -1.375  -6.553  1.00  0.00           C  
HETATM   14  O   UNL     1       2.359  -0.595  -5.389  1.00  0.00           O  
HETATM   15  C   UNL     1       3.552   0.126  -5.078  1.00  0.00           C  
HETATM   16  C   UNL     1       3.319   0.986  -3.835  1.00  0.00           C  
HETATM   17  O   UNL     1       2.965   0.132  -2.715  1.00  0.00           O  
HETATM   18  C   UNL     1       2.714   0.672  -1.512  1.00  0.00           C  
HETATM   19  O   UNL     1       2.781   1.869  -1.361  1.00  0.00           O  
HETATM   20  C   UNL     1       2.347  -0.214  -0.350  1.00  0.00           C  
HETATM   21  C   UNL     1       2.113   0.645   0.893  1.00  0.00           C  
HETATM   22  C   UNL     1       1.741  -0.254   2.073  1.00  0.00           C  
HETATM   23  C   UNL     1       1.508   0.605   3.316  1.00  0.00           C  
HETATM   24  C   UNL     1       1.135  -0.294   4.496  1.00  0.00           C  
HETATM   25  C   UNL     1       0.902   0.565   5.740  1.00  0.00           C  
HETATM   26  C   UNL     1       0.529  -0.334   6.920  1.00  0.00           C  
HETATM   27  C   UNL     1       0.296   0.525   8.164  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.076  -0.374   9.343  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.309   0.485  10.587  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.682  -0.415  11.767  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.915   0.444  13.011  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.287  -0.455  14.191  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.521   0.404  15.434  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.893  -0.495  16.614  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.127   0.364  17.858  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.499  -0.535  19.038  1.00  0.00           C  
HETATM   37  H   UNL     1      -1.491  -1.195 -15.281  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.200  -1.245 -15.777  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.182   0.143 -16.229  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.459   1.620 -14.671  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.768   0.281 -13.723  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.871   2.262 -12.736  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.145   2.277 -12.301  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.422   2.072 -10.547  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.696   2.088 -10.112  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.676  -0.140  -9.459  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.060   1.069  -8.309  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.863  -1.799  -8.149  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.246  -0.589  -6.999  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.566  -2.684  -8.450  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.057  -2.749  -6.740  1.00  0.00           H  
HETATM   52  H   UNL     1       1.610  -2.773  -7.829  1.00  0.00           H  
HETATM   53  H   UNL     1       1.119  -2.838  -6.119  1.00  0.00           H  
HETATM   54  H   UNL     1       2.916  -0.715  -7.374  1.00  0.00           H  
HETATM   55  H   UNL     1       3.462  -2.059  -6.343  1.00  0.00           H  
HETATM   56  H   UNL     1       3.817   0.768  -5.919  1.00  0.00           H  
HETATM   57  H   UNL     1       4.363  -0.575  -4.887  1.00  0.00           H  
HETATM   58  H   UNL     1       2.507   1.689  -4.026  1.00  0.00           H  
HETATM   59  H   UNL     1       4.229   1.538  -3.598  1.00  0.00           H  
HETATM   60  H   UNL     1       3.158  -0.916  -0.159  1.00  0.00           H  
HETATM   61  H   UNL     1       1.437  -0.765  -0.587  1.00  0.00           H  
HETATM   62  H   UNL     1       1.302   1.348   0.702  1.00  0.00           H  
HETATM   63  H   UNL     1       3.023   1.197   1.130  1.00  0.00           H  
HETATM   64  H   UNL     1       2.552  -0.956   2.264  1.00  0.00           H  
HETATM   65  H   UNL     1       0.831  -0.805   1.836  1.00  0.00           H  
HETATM   66  H   UNL     1       0.696   1.308   3.125  1.00  0.00           H  
HETATM   67  H   UNL     1       2.418   1.156   3.553  1.00  0.00           H  
HETATM   68  H   UNL     1       1.946  -0.997   4.687  1.00  0.00           H  
HETATM   69  H   UNL     1       0.225  -0.845   4.260  1.00  0.00           H  
HETATM   70  H   UNL     1       0.091   1.268   5.549  1.00  0.00           H  
HETATM   71  H   UNL     1       1.812   1.116   5.977  1.00  0.00           H  
HETATM   72  H   UNL     1       1.340  -1.037   7.111  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.380  -0.886   6.683  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.514   1.227   7.972  1.00  0.00           H  
HETATM   75  H   UNL     1       1.206   1.076   8.400  1.00  0.00           H  
HETATM   76  H   UNL     1       0.734  -1.077   9.535  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.986  -0.926   9.107  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.120   1.187  10.396  1.00  0.00           H  
HETATM   79  H   UNL     1       0.600   1.036  10.824  1.00  0.00           H  
HETATM   80  H   UNL     1       0.129  -1.117  11.958  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.592  -0.966  11.530  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.726   1.147  12.820  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.005   0.996  13.247  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.476  -1.157  14.382  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.197  -1.006  13.954  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.332   1.107  15.243  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.611   0.955  15.671  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.082  -1.198  16.805  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.803  -1.046  16.378  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.938   1.067  17.667  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.217   0.915  18.095  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.666   0.077  19.924  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.409  -1.086  18.801  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.688  -1.238  19.229  1.00  0.00           H  
CONECT    1    2   37   38   39                                       
CONECT    2    1    3                                                 
CONECT    3    2    4   40   41                                       
CONECT    4    3    5   42   43                                       
CONECT    5    4    6                                                 
CONECT    6    5    7   44   45                                       
CONECT    7    6    8   46   47                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   48   49                                       
CONECT   10    9   11   50   51                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   52   53                                       
CONECT   13   12   14   54   55                                       
CONECT   14   13   15                                                 
CONECT   15   14   16   56   57                                       
CONECT   16   15   17   58   59                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   60   61                                       
CONECT   21   20   22   62   63                                       
CONECT   22   21   23   64   65                                       
CONECT   23   22   24   66   67                                       
CONECT   24   23   25   68   69                                       
CONECT   25   24   26   70   71                                       
CONECT   26   25   27   72   73                                       
CONECT   27   26   28   74   75                                       
CONECT   28   27   29   76   77                                       
CONECT   29   28   30   78   79                                       
CONECT   30   29   31   80   81                                       
CONECT   31   30   32   82   83                                       
CONECT   32   31   33   84   85                                       
CONECT   33   32   34   86   87                                       
CONECT   34   33   35   88   89                                       
CONECT   35   34   36   90   91                                       
CONECT   36   35   92   93   94                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   29                                                      
CONECT   80   30                                                      
CONECT   81   30                                                      
CONECT   82   31                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   32                                                      
CONECT   86   33                                                      
CONECT   87   33                                                      
CONECT   88   34                                                      
CONECT   89   34                                                      
CONECT   90   35                                                      
CONECT   91   35                                                      
CONECT   92   36                                                      
CONECT   93   36                                                      
CONECT   94   36                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
