COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.492   0.381   0.018  1.00  0.00           C  
HETATM    2  C   UNL     1       7.099   0.985  -1.250  1.00  0.00           C  
HETATM    3  C   UNL     1       7.108   1.020   1.264  1.00  0.00           C  
HETATM    4  C   UNL     1       4.988   0.550   0.021  1.00  0.00           C  
HETATM    5  C   UNL     1       4.248   1.825   0.004  1.00  0.00           C  
HETATM    6  C   UNL     1       4.942   3.037  -0.018  1.00  0.00           C  
HETATM    7  C   UNL     1       4.249   4.229  -0.034  1.00  0.00           C  
HETATM    8  C   UNL     1       2.861   4.228  -0.029  1.00  0.00           C  
HETATM    9  C   UNL     1       2.961   6.603  -0.067  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.366   1.958   0.001  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.063   0.596   0.013  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.580   0.800   0.010  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.285  -1.671   0.031  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.360  -0.463   0.009  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.280   0.737   0.011  1.00  0.00           C  
HETATM   16  C   UNL     1       2.851   1.825   0.003  1.00  0.00           C  
HETATM   17  C   UNL     1       5.140  -3.075   0.076  1.00  0.00           C  
HETATM   18  C   UNL     1       4.403  -3.383   1.292  1.00  0.00           C  
HETATM   19  C   UNL     1       4.102  -4.890   1.432  1.00  0.00           C  
HETATM   20  C   UNL     1       2.913  -5.222   0.572  1.00  0.00           C  
HETATM   21  C   UNL     1       4.349  -3.441  -1.197  1.00  0.00           C  
HETATM   22  N   UNL     1     -10.648  -1.548   0.005  1.00  0.00           N  
HETATM   23  C   UNL     1       6.684  -1.123   0.040  1.00  0.00           C  
HETATM   24  O   UNL     1       7.734  -1.731   0.045  1.00  0.00           O  
HETATM   25  C   UNL     1       2.162   3.023  -0.007  1.00  0.00           C  
HETATM   26  C   UNL     1       0.151   1.754   0.003  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.589  -0.468   0.021  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.663  -1.672   0.026  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.839  -0.459  -0.002  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.658   0.743   0.000  1.00  0.00           C  
HETATM   31  C   UNL     1       3.320  -5.725  -0.826  1.00  0.00           C  
HETATM   32  C   UNL     1       4.484  -4.921  -1.434  1.00  0.00           C  
HETATM   33  N   UNL     1     -11.957  -1.035  -0.017  1.00  0.00           N  
HETATM   34  N   UNL     1     -11.855   0.250  -0.035  1.00  0.00           N  
HETATM   35  N   UNL     1     -10.620   0.601  -0.021  1.00  0.00           N  
HETATM   36  N   UNL     1       4.474  -0.638   0.041  1.00  0.00           N  
HETATM   37  N   UNL     1       5.439  -1.641   0.052  1.00  0.00           N  
HETATM   38  O   UNL     1       2.182   5.406  -0.045  1.00  0.00           O  
HETATM   39  O   UNL     1       0.802   3.026  -0.008  1.00  0.00           O  
HETATM   40  O   UNL     1      -4.231  -0.472   0.021  1.00  0.00           O  
HETATM   41  H   UNL     1       6.863   2.048  -1.295  1.00  0.00           H  
HETATM   42  H   UNL     1       8.181   0.853  -1.234  1.00  0.00           H  
HETATM   43  H   UNL     1       6.685   0.484  -2.125  1.00  0.00           H  
HETATM   44  H   UNL     1       6.701   0.543   2.156  1.00  0.00           H  
HETATM   45  H   UNL     1       8.190   0.888   1.243  1.00  0.00           H  
HETATM   46  H   UNL     1       6.873   2.084   1.281  1.00  0.00           H  
HETATM   47  H   UNL     1       6.022   3.041  -0.021  1.00  0.00           H  
HETATM   48  H   UNL     1       4.787   5.166  -0.050  1.00  0.00           H  
HETATM   49  H   UNL     1       3.593   6.642   0.820  1.00  0.00           H  
HETATM   50  H   UNL     1       3.587   6.614  -0.960  1.00  0.00           H  
HETATM   51  H   UNL     1       2.298   7.468  -0.078  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.657   2.508  -0.894  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.658   2.524   0.886  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.771   0.031  -0.872  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.772   0.047   0.908  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.872   1.366   0.896  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.871   1.350  -0.884  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.745  -2.606   0.039  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.735   1.670   0.003  1.00  0.00           H  
HETATM   60  H   UNL     1       2.310   0.890   0.016  1.00  0.00           H  
HETATM   61  H   UNL     1       6.078  -3.631   0.081  1.00  0.00           H  
HETATM   62  H   UNL     1       4.989  -3.059   2.152  1.00  0.00           H  
HETATM   63  H   UNL     1       3.460  -2.836   1.282  1.00  0.00           H  
HETATM   64  H   UNL     1       4.966  -5.467   1.102  1.00  0.00           H  
HETATM   65  H   UNL     1       3.878  -5.123   2.473  1.00  0.00           H  
HETATM   66  H   UNL     1       2.325  -5.994   1.067  1.00  0.00           H  
HETATM   67  H   UNL     1       2.298  -4.329   0.461  1.00  0.00           H  
HETATM   68  H   UNL     1       3.298  -3.186  -1.061  1.00  0.00           H  
HETATM   69  H   UNL     1       4.752  -2.893  -2.049  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.381  -2.480   0.018  1.00  0.00           H  
HETATM   71  H   UNL     1       0.442   1.204   0.898  1.00  0.00           H  
HETATM   72  H   UNL     1       0.443   1.189  -0.882  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.203  -2.607   0.033  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.194   1.681  -0.013  1.00  0.00           H  
HETATM   75  H   UNL     1       3.615  -6.771  -0.752  1.00  0.00           H  
HETATM   76  H   UNL     1       2.459  -5.651  -1.490  1.00  0.00           H  
HETATM   77  H   UNL     1       4.516  -5.105  -2.508  1.00  0.00           H  
HETATM   78  H   UNL     1       5.418  -5.265  -0.991  1.00  0.00           H  
CONECT    1   23    2    4    3                                       
CONECT    2    1   41   42   43                                       
CONECT    3    1   44   45   46                                       
CONECT    4   36   36    1    5                                       
CONECT    5    4   16   16    6                                       
CONECT    6    5    7    7   47                                       
CONECT    7    6    6    8   48                                       
CONECT    8   25   25    7   38                                       
CONECT    9   38   49   50   51                                       
CONECT   10   11   26   52   53                                       
CONECT   11   12   10   54   55                                       
CONECT   12   40   11   56   57                                       
CONECT   13   28   28   27   58                                       
CONECT   14   29   30   30   28                                       
CONECT   15   30   27   27   59                                       
CONECT   16    5    5   25   60                                       
CONECT   17   18   21   37   61                                       
CONECT   18   19   17   62   63                                       
CONECT   19   20   18   64   65                                       
CONECT   20   19   31   66   67                                       
CONECT   21   32   17   68   69                                       
CONECT   22   33   29   70                                            
CONECT   23   24   24   37    1                                       
CONECT   24   23   23                                                 
CONECT   25   16   39    8    8                                       
CONECT   26   10   39   71   72                                       
CONECT   27   15   15   13   40                                       
CONECT   28   14   13   13   73                                       
CONECT   29   22   35   35   14                                       
CONECT   30   14   14   15   74                                       
CONECT   31   20   32   75   76                                       
CONECT   32   31   21   77   78                                       
CONECT   33   34   34   22                                            
CONECT   34   33   33   35                                            
CONECT   35   34   29   29                                            
CONECT   36   37    4    4                                            
CONECT   37   17   23   36                                            
CONECT   38    8    9                                                 
CONECT   39   26   25                                                 
CONECT   40   27   12                                                 
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   28                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
