COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -18.438   0.304   0.125  1.00  0.00           C  
HETATM    2  C   UNL     1     -19.540  -0.529   0.104  1.00  0.00           C  
HETATM    3  O   UNL     1     -20.792  -0.001   0.158  1.00  0.00           O  
HETATM    4  C   UNL     1     -19.368  -1.910   0.026  1.00  0.00           C  
HETATM    5  O   UNL     1     -20.453  -2.727   0.005  1.00  0.00           O  
HETATM    6  C   UNL     1     -18.091  -2.452  -0.030  1.00  0.00           C  
HETATM    7  C   UNL     1     -16.988  -1.627  -0.009  1.00  0.00           C  
HETATM    8  C   UNL     1     -17.153  -0.241   0.064  1.00  0.00           C  
HETATM    9  C   UNL     1     -15.972   0.644   0.086  1.00  0.00           C  
HETATM   10  O   UNL     1     -16.117   1.849   0.159  1.00  0.00           O  
HETATM   11  N   UNL     1     -14.733   0.116   0.027  1.00  0.00           N  
HETATM   12  C   UNL     1     -13.561   0.995   0.049  1.00  0.00           C  
HETATM   13  C   UNL     1     -12.288   0.149  -0.030  1.00  0.00           C  
HETATM   14  C   UNL     1     -11.064   1.067  -0.006  1.00  0.00           C  
HETATM   15  N   UNL     1      -9.842   0.255  -0.082  1.00  0.00           N  
HETATM   16  C   UNL     1      -8.644   1.105  -0.062  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.394   0.226  -0.142  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.146   1.110  -0.121  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.896   0.231  -0.201  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.701   1.078  -0.181  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.477   0.518  -0.242  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.365  -0.688  -0.314  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.248   1.389  -0.221  1.00  0.00           C  
HETATM   24  C   UNL     1       0.002   0.510  -0.301  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.030  -0.511   0.807  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.063  -0.110   2.088  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.026  -1.690   0.543  1.00  0.00           O  
HETATM   28  O   UNL     1       0.034  -0.159  -1.564  1.00  0.00           O  
HETATM   29  C   UNL     1       1.250   1.383  -0.155  1.00  0.00           C  
HETATM   30  C   UNL     1       2.481   0.517  -0.234  1.00  0.00           C  
HETATM   31  O   UNL     1       2.371  -0.681  -0.392  1.00  0.00           O  
HETATM   32  N   UNL     1       3.704   1.073  -0.129  1.00  0.00           N  
HETATM   33  C   UNL     1       4.900   0.231  -0.206  1.00  0.00           C  
HETATM   34  C   UNL     1       6.148   1.104  -0.060  1.00  0.00           C  
HETATM   35  C   UNL     1       7.398   0.225  -0.140  1.00  0.00           C  
HETATM   36  C   UNL     1       8.646   1.098   0.007  1.00  0.00           C  
HETATM   37  N   UNL     1       9.846   0.254  -0.070  1.00  0.00           N  
HETATM   38  C   UNL     1      11.066   1.060   0.067  1.00  0.00           C  
HETATM   39  C   UNL     1      12.292   0.148  -0.018  1.00  0.00           C  
HETATM   40  C   UNL     1      13.563   0.988   0.124  1.00  0.00           C  
HETATM   41  N   UNL     1      14.737   0.115   0.043  1.00  0.00           N  
HETATM   42  C   UNL     1      15.974   0.638   0.144  1.00  0.00           C  
HETATM   43  O   UNL     1      16.117   1.835   0.302  1.00  0.00           O  
HETATM   44  C   UNL     1      17.157  -0.241   0.062  1.00  0.00           C  
HETATM   45  C   UNL     1      18.441   0.299   0.172  1.00  0.00           C  
HETATM   46  C   UNL     1      19.544  -0.529   0.100  1.00  0.00           C  
HETATM   47  O   UNL     1      20.795  -0.006   0.207  1.00  0.00           O  
HETATM   48  C   UNL     1      19.375  -1.901  -0.082  1.00  0.00           C  
HETATM   49  O   UNL     1      20.461  -2.714  -0.151  1.00  0.00           O  
HETATM   50  C   UNL     1      18.099  -2.438  -0.191  1.00  0.00           C  
HETATM   51  C   UNL     1      16.995  -1.617  -0.120  1.00  0.00           C  
HETATM   52  H   UNL     1     -18.569   1.374   0.185  1.00  0.00           H  
HETATM   53  H   UNL     1     -21.173   0.199  -0.708  1.00  0.00           H  
HETATM   54  H   UNL     1     -20.785  -2.916  -0.883  1.00  0.00           H  
HETATM   55  H   UNL     1     -17.962  -3.522  -0.091  1.00  0.00           H  
HETATM   56  H   UNL     1     -15.996  -2.051  -0.053  1.00  0.00           H  
HETATM   57  H   UNL     1     -14.618  -0.845  -0.031  1.00  0.00           H  
HETATM   58  H   UNL     1     -13.599   1.674  -0.803  1.00  0.00           H  
HETATM   59  H   UNL     1     -13.557   1.572   0.974  1.00  0.00           H  
HETATM   60  H   UNL     1     -12.250  -0.529   0.822  1.00  0.00           H  
HETATM   61  H   UNL     1     -12.292  -0.428  -0.954  1.00  0.00           H  
HETATM   62  H   UNL     1     -11.102   1.746  -0.858  1.00  0.00           H  
HETATM   63  H   UNL     1     -11.060   1.644   0.918  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.814  -0.427   0.661  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.665   1.784  -0.914  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.623   1.682   0.863  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.372  -0.454   0.711  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.415  -0.352  -1.066  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.168   1.789  -0.973  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.125   1.688   0.803  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.875  -0.448   0.651  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.917  -0.347  -1.125  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.791   2.042  -0.123  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.269   2.068  -1.074  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.227   1.966   0.703  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.083  -0.801   2.764  1.00  0.00           H  
HETATM   77  H   UNL     1       0.056   0.438  -2.325  1.00  0.00           H  
HETATM   78  H   UNL     1       1.273   2.121  -0.957  1.00  0.00           H  
HETATM   79  H   UNL     1       1.226   1.893   0.808  1.00  0.00           H  
HETATM   80  H   UNL     1       3.792   2.031  -0.003  1.00  0.00           H  
HETATM   81  H   UNL     1       4.877  -0.507   0.596  1.00  0.00           H  
HETATM   82  H   UNL     1       4.925  -0.279  -1.169  1.00  0.00           H  
HETATM   83  H   UNL     1       6.172   1.842  -0.861  1.00  0.00           H  
HETATM   84  H   UNL     1       6.124   1.614   0.903  1.00  0.00           H  
HETATM   85  H   UNL     1       7.375  -0.513   0.662  1.00  0.00           H  
HETATM   86  H   UNL     1       7.422  -0.285  -1.103  1.00  0.00           H  
HETATM   87  H   UNL     1       8.669   1.836  -0.795  1.00  0.00           H  
HETATM   88  H   UNL     1       8.622   1.608   0.970  1.00  0.00           H  
HETATM   89  H   UNL     1       9.859  -0.279  -0.927  1.00  0.00           H  
HETATM   90  H   UNL     1      11.106   1.798  -0.735  1.00  0.00           H  
HETATM   91  H   UNL     1      11.059   1.570   1.030  1.00  0.00           H  
HETATM   92  H   UNL     1      12.252  -0.590   0.783  1.00  0.00           H  
HETATM   93  H   UNL     1      12.299  -0.362  -0.982  1.00  0.00           H  
HETATM   94  H   UNL     1      13.603   1.726  -0.677  1.00  0.00           H  
HETATM   95  H   UNL     1      13.556   1.498   1.088  1.00  0.00           H  
HETATM   96  H   UNL     1      14.623  -0.840  -0.083  1.00  0.00           H  
HETATM   97  H   UNL     1      18.570   1.362   0.312  1.00  0.00           H  
HETATM   98  H   UNL     1      21.185   0.257  -0.637  1.00  0.00           H  
HETATM   99  H   UNL     1      20.747  -3.062   0.704  1.00  0.00           H  
HETATM  100  H   UNL     1      17.972  -3.501  -0.332  1.00  0.00           H  
HETATM  101  H   UNL     1      16.003  -2.038  -0.201  1.00  0.00           H  
CONECT    1    8    8    2   52                                       
CONECT    2    1    3    4    4                                       
CONECT    3    2   53                                                 
CONECT    4    2    2    6    5                                       
CONECT    5    4   54                                                 
CONECT    6    7    7    4   55                                       
CONECT    7    8    6    6   56                                       
CONECT    8    9    1    1    7                                       
CONECT    9   11   10   10    8                                       
CONECT   10    9    9                                                 
CONECT   11   12    9   57                                            
CONECT   12   13   11   58   59                                       
CONECT   13   14   12   60   61                                       
CONECT   14   13   15   62   63                                       
CONECT   15   14   16   64                                            
CONECT   16   15   17   65   66                                       
CONECT   17   16   18   67   68                                       
CONECT   18   17   19   69   70                                       
CONECT   19   18   20   71   72                                       
CONECT   20   19   21   73                                            
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   74   75                                       
CONECT   24   25   23   29   28                                       
CONECT   25   27   27   24   26                                       
CONECT   26   25   76                                                 
CONECT   27   25   25                                                 
CONECT   28   24   77                                                 
CONECT   29   24   30   78   79                                       
CONECT   30   29   32   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   33   30   80                                            
CONECT   33   32   34   81   82                                       
CONECT   34   33   35   83   84                                       
CONECT   35   34   36   85   86                                       
CONECT   36   35   37   87   88                                       
CONECT   37   38   36   89                                            
CONECT   38   39   37   90   91                                       
CONECT   39   40   38   92   93                                       
CONECT   40   41   39   94   95                                       
CONECT   41   42   40   96                                            
CONECT   42   44   41   43   43                                       
CONECT   43   42   42                                                 
CONECT   44   45   45   51   42                                       
CONECT   45   46   44   44   97                                       
CONECT   46   47   48   48   45                                       
CONECT   47   46   98                                                 
CONECT   48   49   46   46   50                                       
CONECT   49   48   99                                                 
CONECT   50   48   51   51  100                                       
CONECT   51   50   50   44  101                                       
CONECT   52    1                                                      
CONECT   53    3                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   18                                                      
CONECT   71   19                                                      
CONECT   72   19                                                      
CONECT   73   20                                                      
CONECT   74   23                                                      
CONECT   75   23                                                      
CONECT   76   26                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   29                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   33                                                      
CONECT   83   34                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   35                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   38                                                      
CONECT   91   38                                                      
CONECT   92   39                                                      
CONECT   93   39                                                      
CONECT   94   40                                                      
CONECT   95   40                                                      
CONECT   96   41                                                      
CONECT   97   45                                                      
CONECT   98   47                                                      
CONECT   99   49                                                      
CONECT  100   50                                                      
CONECT  101   51                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
