COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.723   1.159  -3.391  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.175  -3.595  -2.052  1.00  0.00           O1-
HETATM    3  C   UNL     1      -5.464   0.687  -3.712  1.00  0.00           C  
HETATM    4  O   UNL     1       0.883  -5.072  -0.302  1.00  0.00           O  
HETATM    5  C   UNL     1      -4.644   1.419  -4.549  1.00  0.00           C  
HETATM    6  O   UNL     1      -1.135  -4.370   2.476  1.00  0.00           O1-
HETATM    7  O   UNL     1      -2.555  -4.402   0.391  1.00  0.00           O  
HETATM    8  C   UNL     1      -5.835   0.447   2.138  1.00  0.00           C  
HETATM    9  C   UNL     1       7.311   1.190  -0.749  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.825   3.750   1.258  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.659  -0.496   3.052  1.00  0.00           C  
HETATM   12  C   UNL     1      10.007   4.149   1.259  1.00  0.00           C  
HETATM   13  C   UNL     1       8.240   0.609  -1.845  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.549  -1.239   3.835  1.00  0.00           C  
HETATM   15  C   UNL     1       7.224   0.096  -2.894  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.476   1.847   0.834  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.292  -1.072   2.960  1.00  0.00           C  
HETATM   18  C   UNL     1       8.792   2.197   1.035  1.00  0.00           C  
HETATM   19  C   UNL     1       5.912  -0.067  -2.101  1.00  0.00           C  
HETATM   20  C   UNL     1      -7.967   1.810  -0.465  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.743  -2.446   2.570  1.00  0.00           C  
HETATM   22  C   UNL     1       9.212   1.774   2.301  1.00  0.00           C  
HETATM   23  C   UNL     1       5.430  -1.517  -2.186  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.946   2.826  -0.864  1.00  0.00           C  
HETATM   25  C   UNL     1      10.067   2.618   3.048  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.574   0.167  -0.259  1.00  0.00           C  
HETATM   27  C   UNL     1       7.925   0.225   1.501  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.082   2.624  -5.065  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.341   3.096  -4.745  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.164   2.361  -3.913  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.617   0.360  -2.478  1.00  0.00           C  
HETATM   32  N   UNL     1      -9.319   3.747   0.038  1.00  0.00           N  
HETATM   33  N   UNL     1      10.449   3.792   2.498  1.00  0.00           N  
HETATM   34  N   UNL     1      -9.243   4.714   2.135  1.00  0.00           N  
HETATM   35  N   UNL     1      10.412   5.347   0.726  1.00  0.00           N  
HETATM   36  N   UNL     1      -7.920   2.829   1.682  1.00  0.00           N  
HETATM   37  N   UNL     1       9.208   3.376   0.558  1.00  0.00           N  
HETATM   38  N   UNL     1      -7.381   0.762  -1.089  1.00  0.00           N1+
HETATM   39  N   UNL     1       8.648   0.563   2.528  1.00  0.00           N  
HETATM   40  N   UNL     1      -6.603   0.809   0.945  1.00  0.00           N  
HETATM   41  N   UNL     1       7.988   1.201   0.549  1.00  0.00           N  
HETATM   42  O   UNL     1      -7.494   0.253   3.937  1.00  0.00           O  
HETATM   43  O   UNL     1       9.074   1.628  -2.400  1.00  0.00           O  
HETATM   44  O   UNL     1      -5.352  -0.637   5.117  1.00  0.00           O  
HETATM   45  O   UNL     1       7.061   1.052  -3.943  1.00  0.00           O  
HETATM   46  O   UNL     1      -4.683  -0.347   1.780  1.00  0.00           O  
HETATM   47  O   UNL     1       6.193   0.277  -0.732  1.00  0.00           O  
HETATM   48  O   UNL     1      -2.515  -2.284   1.857  1.00  0.00           O  
HETATM   49  O   UNL     1       4.156  -1.633  -1.547  1.00  0.00           O  
HETATM   50  O   UNL     1      -9.408   2.838  -1.994  1.00  0.00           O  
HETATM   51  O   UNL     1      10.456   2.291   4.156  1.00  0.00           O  
HETATM   52  O   UNL     1       3.164  -3.612  -2.864  1.00  0.00           O  
HETATM   53  O   UNL     1       4.142  -4.018  -0.575  1.00  0.00           O1-
HETATM   54  O   UNL     1       1.906  -2.757  -0.785  1.00  0.00           O  
HETATM   55  O   UNL     1      -0.413  -2.971   0.436  1.00  0.00           O  
HETATM   56  P   UNL     1       3.349  -3.022  -1.449  1.00  0.00           P  
HETATM   57  P   UNL     1       0.546  -3.614  -0.686  1.00  0.00           P  
HETATM   58  P   UNL     1      -1.658  -3.525   1.293  1.00  0.00           P  
HETATM   59  H   UNL     1      -5.122  -0.255  -3.308  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.660   1.051  -4.799  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.531   1.340   2.683  1.00  0.00           H  
HETATM   62  H   UNL     1       6.982   2.194  -1.018  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.250  -1.194   2.459  1.00  0.00           H  
HETATM   64  H   UNL     1       8.841  -0.211  -1.451  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.800  -2.294   3.945  1.00  0.00           H  
HETATM   66  H   UNL     1       7.546  -0.863  -3.299  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.534  -0.509   3.503  1.00  0.00           H  
HETATM   68  H   UNL     1       5.152   0.603  -2.500  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.566  -3.036   3.469  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.466  -2.960   1.936  1.00  0.00           H  
HETATM   71  H   UNL     1       5.339  -1.809  -3.232  1.00  0.00           H  
HETATM   72  H   UNL     1       6.147  -2.168  -1.687  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.973  -0.701  -0.488  1.00  0.00           H  
HETATM   74  H   UNL     1       7.364  -0.693   1.412  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.441   3.197  -5.719  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.686   4.036  -5.152  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.148   2.730  -3.662  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.660   0.545  -2.738  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.398  -0.701  -2.592  1.00  0.00           H  
HETATM   80  H   UNL     1      11.041   4.384   2.988  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.891   5.379   1.853  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.890   4.734   3.039  1.00  0.00           H  
HETATM   83  H   UNL     1      11.005   5.926   1.230  1.00  0.00           H  
HETATM   84  H   UNL     1      10.106   5.614  -0.155  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.585   2.867   2.591  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.029  -0.293   4.529  1.00  0.00           H  
HETATM   87  H   UNL     1       9.674   1.313  -3.090  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.133  -0.664   5.687  1.00  0.00           H  
HETATM   89  H   UNL     1       7.872   1.235  -4.437  1.00  0.00           H  
CONECT    1   30   31    3    3                                       
CONECT    2   57                                                      
CONECT    3    1    1    5   59                                       
CONECT    4   57   57                                                 
CONECT    5   28   28    3   60                                       
CONECT    6   58                                                      
CONECT    7   58   58                                                 
CONECT    8   46   11   40   61                                       
CONECT    9   47   13   41   62                                       
CONECT   10   36   34   32   32                                       
CONECT   11   14   42    8   63                                       
CONECT   12   37   37   35   33                                       
CONECT   13   15    9   43   64                                       
CONECT   14   44   17   11   65                                       
CONECT   15   45   19   13   66                                       
CONECT   16   40   36   20   20                                       
CONECT   17   21   14   46   67                                       
CONECT   18   41   37   22   22                                       
CONECT   19   23   15   47   68                                       
CONECT   20   16   16   38   24                                       
CONECT   21   17   48   69   70                                       
CONECT   22   18   18   39   25                                       
CONECT   23   19   49   71   72                                       
CONECT   24   20   32   50   50                                       
CONECT   25   22   33   51   51                                       
CONECT   26   40   38   38   73                                       
CONECT   27   41   39   39   74                                       
CONECT   28   29    5    5   75                                       
CONECT   29   30   30   28   76                                       
CONECT   30   29   29    1   77                                       
CONECT   31   38    1   78   79                                       
CONECT   32   10   10   24                                            
CONECT   33   12   25   80                                            
CONECT   34   10   81   82                                            
CONECT   35   12   83   84                                            
CONECT   36   16   10   85                                            
CONECT   37   18   12   12                                            
CONECT   38   26   26   20   31                                       
CONECT   39   27   27   22                                            
CONECT   40    8   26   16                                            
CONECT   41    9   18   27                                            
CONECT   42   11   86                                                 
CONECT   43   13   87                                                 
CONECT   44   14   88                                                 
CONECT   45   15   89                                                 
CONECT   46   17    8                                                 
CONECT   47   19    9                                                 
CONECT   48   21   58                                                 
CONECT   49   23   56                                                 
CONECT   50   24   24                                                 
CONECT   51   25   25                                                 
CONECT   52   56   56                                                 
CONECT   53   56                                                      
CONECT   54   56   57                                                 
CONECT   55   57   58                                                 
CONECT   56   49   52   52   53                                       
CONECT   56   54                                                      
CONECT   57   54    4    4   55                                       
CONECT   57    2                                                      
CONECT   58   55    7    7   48                                       
CONECT   58    6                                                      
CONECT   59    3                                                      
CONECT   60    5                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63   11                                                      
CONECT   64   13                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   17                                                      
CONECT   68   19                                                      
CONECT   69   21                                                      
CONECT   70   21                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   42                                                      
CONECT   87   43                                                      
CONECT   88   44                                                      
CONECT   89   45                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
