COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.630  -3.826  -2.372  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.892   2.074   1.059  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.651   3.686   0.925  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.346   2.558  -0.145  1.00  0.00           C  
HETATM    5  C   UNL     1       2.826  -0.131  -0.484  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.009   0.989   1.486  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.116   4.167  -0.263  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.974   3.612  -0.798  1.00  0.00           C  
HETATM    9  C   UNL     1       3.873  -0.739   0.451  1.00  0.00           C  
HETATM   10  C   UNL     1       0.398  -0.274  -0.642  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.899  -1.005  -0.409  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.103  -2.045  -1.512  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.355  -2.871  -1.209  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.135  -3.678   0.072  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.387  -4.504   0.375  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.662  -5.459  -0.788  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.882  -4.652  -2.069  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.921  -0.055   0.564  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.034   0.904   0.545  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.051   2.651   1.584  1.00  0.00           C  
HETATM   21  C   UNL     1       3.405  -0.600   1.901  1.00  0.00           C  
HETATM   22  C   UNL     1       3.349   0.882   2.277  1.00  0.00           C  
HETATM   23  C   UNL     1       3.150   0.990   3.794  1.00  0.00           C  
HETATM   24  C   UNL     1       4.410   0.478   4.491  1.00  0.00           C  
HETATM   25  C   UNL     1       4.363  -1.322   2.805  1.00  0.00           C  
HETATM   26  C   UNL     1       3.326  -0.206  -1.928  1.00  0.00           C  
HETATM   27  C   UNL     1       4.536   0.679  -2.087  1.00  0.00           C  
HETATM   28  C   UNL     1       5.562   2.881  -2.270  1.00  0.00           C  
HETATM   29  C   UNL     1       5.289   4.325  -2.695  1.00  0.00           C  
HETATM   30  C   UNL     1       5.814   4.027  -1.289  1.00  0.00           C  
HETATM   31  N   UNL     1      -2.008  -0.049  -0.428  1.00  0.00           N  
HETATM   32  N   UNL     1       1.571  -0.877  -0.363  1.00  0.00           N  
HETATM   33  N   UNL     1       4.785  -0.831   3.971  1.00  0.00           N  
HETATM   34  N   UNL     1       4.405   2.018  -2.020  1.00  0.00           N  
HETATM   35  O   UNL     1       0.387   0.857  -1.080  1.00  0.00           O  
HETATM   36  O   UNL     1      -4.245   1.830  -0.415  1.00  0.00           O  
HETATM   37  O   UNL     1      -2.823  -0.856   1.474  1.00  0.00           O  
HETATM   38  O   UNL     1       4.774  -2.408   2.457  1.00  0.00           O  
HETATM   39  O   UNL     1       3.677  -1.555  -2.241  1.00  0.00           O  
HETATM   40  O   UNL     1       5.627   0.185  -2.275  1.00  0.00           O  
HETATM   41  H   UNL     1      -2.786  -3.251  -3.285  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.778  -4.493  -2.504  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.547   4.133   1.330  1.00  0.00           H  
HETATM   44  H   UNL     1       2.657   0.911  -0.211  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.111   0.380   2.372  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.602   4.986  -0.773  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.568   3.996  -1.722  1.00  0.00           H  
HETATM   48  H   UNL     1       4.005  -1.794   0.211  1.00  0.00           H  
HETATM   49  H   UNL     1       4.821  -0.216   0.323  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.866  -1.504   0.559  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.225  -1.540  -2.470  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.235  -2.703  -1.556  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.207  -2.204  -1.077  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.283  -4.345  -0.060  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.939  -2.998   0.901  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.231  -5.079   1.288  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.239  -3.837   0.507  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.810  -6.126  -0.920  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.554  -6.047  -0.572  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.734  -3.985  -1.937  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.078  -5.332  -2.898  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.471   2.280   2.507  1.00  0.00           H  
HETATM   63  H   UNL     1       2.412  -1.038   2.004  1.00  0.00           H  
HETATM   64  H   UNL     1       4.283   1.368   1.995  1.00  0.00           H  
HETATM   65  H   UNL     1       2.516   1.360   1.763  1.00  0.00           H  
HETATM   66  H   UNL     1       2.978   2.031   4.067  1.00  0.00           H  
HETATM   67  H   UNL     1       2.293   0.387   4.094  1.00  0.00           H  
HETATM   68  H   UNL     1       5.227   1.180   4.321  1.00  0.00           H  
HETATM   69  H   UNL     1       4.222   0.396   5.562  1.00  0.00           H  
HETATM   70  H   UNL     1       2.539   0.131  -2.603  1.00  0.00           H  
HETATM   71  H   UNL     1       6.433   2.386  -2.701  1.00  0.00           H  
HETATM   72  H   UNL     1       5.980   4.781  -3.404  1.00  0.00           H  
HETATM   73  H   UNL     1       4.247   4.634  -2.788  1.00  0.00           H  
HETATM   74  H   UNL     1       5.118   4.140  -0.457  1.00  0.00           H  
HETATM   75  H   UNL     1       6.851   4.287  -1.073  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.086   0.590  -1.154  1.00  0.00           H  
HETATM   77  H   UNL     1       1.584  -1.806  -0.081  1.00  0.00           H  
HETATM   78  H   UNL     1       5.379  -1.380   4.507  1.00  0.00           H  
HETATM   79  H   UNL     1       3.544   2.412  -1.807  1.00  0.00           H  
HETATM   80  H   UNL     1       4.374  -1.920  -1.679  1.00  0.00           H  
CONECT    1   17   13   41   42                                       
CONECT    2    6    4    4   20                                       
CONECT    3   20   20    7   43                                       
CONECT    4   36    2    2    8                                       
CONECT    5   26    9   32   44                                       
CONECT    6   19   19    2   45                                       
CONECT    7    8    8    3   46                                       
CONECT    8    4    7    7   47                                       
CONECT    9    5   21   48   49                                       
CONECT   10   32   11   35   35                                       
CONECT   11   12   10   31   50                                       
CONECT   12   11   13   51   52                                       
CONECT   13   14    1   12   53                                       
CONECT   14   15   13   54   55                                       
CONECT   15   16   14   56   57                                       
CONECT   16   15   17   58   59                                       
CONECT   17   16    1   60   61                                       
CONECT   18   37   37   31   19                                       
CONECT   19   18    6    6   36                                       
CONECT   20    2    3    3   62                                       
CONECT   21    9   25   22   63                                       
CONECT   22   21   23   64   65                                       
CONECT   23   22   24   66   67                                       
CONECT   24   33   23   68   69                                       
CONECT   25   38   38   21   33                                       
CONECT   26   39   27    5   70                                       
CONECT   27   34   26   40   40                                       
CONECT   28   30   34   29   71                                       
CONECT   29   30   28   72   73                                       
CONECT   30   28   29   74   75                                       
CONECT   31   11   18   76                                            
CONECT   32    5   10   77                                            
CONECT   33   25   24   78                                            
CONECT   34   28   27   79                                            
CONECT   35   10   10                                                 
CONECT   36   19    4                                                 
CONECT   37   18   18                                                 
CONECT   38   25   25                                                 
CONECT   39   26   80                                                 
CONECT   40   27   27                                                 
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    3                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   26                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   39                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
