COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.147   2.537  -1.423  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.738   2.247   0.023  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.800   1.068   0.053  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.456  -1.193   0.215  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.996  -2.557   0.355  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.208  -2.075   0.135  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.823  -1.867   0.143  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.291  -0.763   0.796  1.00  0.00           C  
HETATM    9  C   UNL     1       2.825  -1.224   1.544  1.00  0.00           C  
HETATM   10  C   UNL     1       4.352  -1.138   1.511  1.00  0.00           C  
HETATM   11  C   UNL     1       4.771   0.137   0.773  1.00  0.00           C  
HETATM   12  C   UNL     1       4.175   0.120  -0.637  1.00  0.00           C  
HETATM   13  C   UNL     1       8.287  -0.835  -0.163  1.00  0.00           C  
HETATM   14  C   UNL     1       6.683   1.509   0.201  1.00  0.00           C  
HETATM   15  O   UNL     1       1.212  -3.441  -1.117  1.00  0.00           O  
HETATM   16  C   UNL     1       0.598  -4.557  -1.765  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.983  -2.767  -0.498  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.419   1.272  -0.051  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.474   2.771  -0.291  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.860   2.844   1.111  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.364   3.148   0.989  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.697   4.345  -1.062  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.206   4.089  -1.023  1.00  0.00           C  
HETATM   24  N   UNL     1      -6.281  -0.148   0.183  1.00  0.00           N  
HETATM   25  O   UNL     1      -5.254  -3.517   0.270  1.00  0.00           O  
HETATM   26  N   UNL     1      -7.313  -2.741   0.577  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.070  -0.994   0.102  1.00  0.00           C  
HETATM   28  C   UNL     1       0.075  -0.555   0.805  1.00  0.00           C  
HETATM   29  C   UNL     1       0.918  -1.449   0.162  1.00  0.00           C  
HETATM   30  N   UNL     1       2.304  -1.238   0.171  1.00  0.00           N  
HETATM   31  C   UNL     1       2.653  -0.003  -0.542  1.00  0.00           C  
HETATM   32  N   UNL     1       6.236   0.196   0.687  1.00  0.00           N  
HETATM   33  C   UNL     1       6.757  -0.883  -0.163  1.00  0.00           C  
HETATM   34  N   UNL     1       8.734   0.477  -0.649  1.00  0.00           N  
HETATM   35  C   UNL     1      10.199   0.536  -0.735  1.00  0.00           C  
HETATM   36  C   UNL     1       8.212   1.556   0.201  1.00  0.00           C  
HETATM   37  C   UNL     1       0.387  -2.560  -0.490  1.00  0.00           C  
HETATM   38  N   UNL     1      -3.589   0.238  -0.024  1.00  0.00           N  
HETATM   39  N   UNL     1      -3.919   2.556  -0.182  1.00  0.00           N  
HETATM   40  O   UNL     1      -0.185   4.370   0.271  1.00  0.00           O  
HETATM   41  H   UNL     1      -6.259   2.763  -2.013  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.648   1.663  -1.841  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.825   3.390  -1.445  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.237   3.121   0.440  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.626   2.021   0.613  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.563  -2.977   0.154  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.946  -0.065   1.298  1.00  0.00           H  
HETATM   48  H   UNL     1       2.523  -2.138   2.056  1.00  0.00           H  
HETATM   49  H   UNL     1       2.424  -0.361   2.076  1.00  0.00           H  
HETATM   50  H   UNL     1       4.737  -1.111   2.530  1.00  0.00           H  
HETATM   51  H   UNL     1       4.754  -2.007   0.992  1.00  0.00           H  
HETATM   52  H   UNL     1       4.401   1.009   1.314  1.00  0.00           H  
HETATM   53  H   UNL     1       4.435   1.044  -1.153  1.00  0.00           H  
HETATM   54  H   UNL     1       4.575  -0.730  -1.190  1.00  0.00           H  
HETATM   55  H   UNL     1       8.655  -0.992   0.851  1.00  0.00           H  
HETATM   56  H   UNL     1       8.675  -1.617  -0.816  1.00  0.00           H  
HETATM   57  H   UNL     1       6.314   1.666  -0.813  1.00  0.00           H  
HETATM   58  H   UNL     1       6.294   2.290   0.854  1.00  0.00           H  
HETATM   59  H   UNL     1       1.367  -5.178  -2.225  1.00  0.00           H  
HETATM   60  H   UNL     1       0.046  -5.144  -1.031  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.087  -4.199  -2.534  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.396  -3.627  -1.003  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.022   1.948  -0.844  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.347   3.635   1.681  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.998   1.890   1.619  1.00  0.00           H  
HETATM   66  H   UNL     1       0.069   3.243   1.984  1.00  0.00           H  
HETATM   67  H   UNL     1       0.129   2.336   0.454  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.208   3.549  -1.624  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.503   5.303  -1.545  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.592   4.026  -2.040  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.700   4.906  -0.496  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.905  -1.975   0.645  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.669  -3.638   0.669  1.00  0.00           H  
HETATM   74  H   UNL     1       0.487   0.304   1.314  1.00  0.00           H  
HETATM   75  H   UNL     1       2.253   0.854  -0.001  1.00  0.00           H  
HETATM   76  H   UNL     1       2.227  -0.030  -1.545  1.00  0.00           H  
HETATM   77  H   UNL     1       6.390  -0.753  -1.181  1.00  0.00           H  
HETATM   78  H   UNL     1       6.423  -1.845   0.224  1.00  0.00           H  
HETATM   79  H   UNL     1      10.554  -0.231  -1.424  1.00  0.00           H  
HETATM   80  H   UNL     1      10.503   1.518  -1.098  1.00  0.00           H  
HETATM   81  H   UNL     1      10.628   0.365   0.252  1.00  0.00           H  
HETATM   82  H   UNL     1       8.546   2.519  -0.186  1.00  0.00           H  
HETATM   83  H   UNL     1       8.580   1.427   1.219  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.525   3.313  -0.202  1.00  0.00           H  
CONECT    1    2   41   42   43                                       
CONECT    2    3    1   44   45                                       
CONECT    3   24   24   18    2                                       
CONECT    4    5   27   27   24                                       
CONECT    5   25   25   26    4                                       
CONECT    6    7   27   46                                            
CONECT    7    8    6   17   17                                       
CONECT    8   28   28    7   47                                       
CONECT    9   10   30   48   49                                       
CONECT   10    9   11   50   51                                       
CONECT   11   10   32   12   52                                       
CONECT   12   11   31   53   54                                       
CONECT   13   33   34   55   56                                       
CONECT   14   32   36   57   58                                       
CONECT   15   37   16                                                 
CONECT   16   15   59   60   61                                       
CONECT   17    7    7   37   62                                       
CONECT   18   38   38    3   39                                       
CONECT   19   39   23   20   63                                       
CONECT   20   19   21   64   65                                       
CONECT   21   20   40   66   67                                       
CONECT   22   23   40   68   69                                       
CONECT   23   19   22   70   71                                       
CONECT   24    4    3    3                                            
CONECT   25    5    5                                                 
CONECT   26    5   72   73                                            
CONECT   27    6    4    4   38                                       
CONECT   28    8    8   29   74                                       
CONECT   29   28   30   37   37                                       
CONECT   30    9   29   31                                            
CONECT   31   12   30   75   76                                       
CONECT   32   33   11   14                                            
CONECT   33   13   32   77   78                                       
CONECT   34   13   35   36                                            
CONECT   35   34   79   80   81                                       
CONECT   36   34   14   82   83                                       
CONECT   37   29   29   17   15                                       
CONECT   38   27   18   18                                            
CONECT   39   18   19   84                                            
CONECT   40   22   21                                                 
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   16                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   28                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   39                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
