COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.634   2.050   0.859  1.00  0.00           C  
HETATM    2  C   UNL     1       4.148   0.811   0.467  1.00  0.00           C  
HETATM    3  C   UNL     1       9.567   0.244  -2.203  1.00  0.00           C  
HETATM    4  C   UNL     1       2.013  -0.059   0.504  1.00  0.00           C  
HETATM    5  C   UNL     1       2.272   2.164   1.061  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.774   0.285   0.143  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.144   0.457   0.195  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.970  -0.622   0.481  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.421  -1.875   0.715  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.048  -2.049   0.663  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.509  -3.276   0.891  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.417  -4.341   1.179  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.225   1.139   0.467  1.00  0.00           C  
HETATM   14  C   UNL     1     -10.353   1.839  -0.065  1.00  0.00           C  
HETATM   15  N   UNL     1       3.313  -0.210   0.301  1.00  0.00           N  
HETATM   16  N   UNL     1       1.497   1.105   0.871  1.00  0.00           N  
HETATM   17  N   UNL     1       1.170  -1.141   0.317  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.221  -0.966   0.376  1.00  0.00           C  
HETATM   19  N   UNL     1      -4.357  -0.445   0.534  1.00  0.00           N  
HETATM   20  C   UNL     1      -4.721   0.951   0.258  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.987   0.198  -0.471  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.555  -1.245  -0.196  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.041  -1.363  -0.385  1.00  0.00           C  
HETATM   24  N   UNL     1      -8.431   0.333  -0.235  1.00  0.00           N  
HETATM   25  C   UNL     1      -9.194  -0.558  -1.120  1.00  0.00           C  
HETATM   26  C   UNL     1     -10.684  -0.447  -0.789  1.00  0.00           C  
HETATM   27  N   UNL     1     -11.117   0.949  -0.950  1.00  0.00           N  
HETATM   28  C   UNL     1      -8.863   1.728  -0.397  1.00  0.00           C  
HETATM   29  C   UNL     1     -12.560   1.083  -0.714  1.00  0.00           C  
HETATM   30  N   UNL     1       5.509   0.649   0.252  1.00  0.00           N  
HETATM   31  C   UNL     1       6.030  -0.623   0.000  1.00  0.00           C  
HETATM   32  C   UNL     1       7.275  -0.758  -0.602  1.00  0.00           C  
HETATM   33  C   UNL     1       7.787  -2.016  -0.850  1.00  0.00           C  
HETATM   34  C   UNL     1       7.062  -3.141  -0.501  1.00  0.00           C  
HETATM   35  C   UNL     1       5.823  -3.010   0.098  1.00  0.00           C  
HETATM   36  C   UNL     1       5.307  -1.755   0.354  1.00  0.00           C  
HETATM   37  P   UNL     1       8.226   0.717  -1.061  1.00  0.00           P  
HETATM   38  C   UNL     1       8.942   1.469   0.437  1.00  0.00           C  
HETATM   39  O   UNL     1       7.334   1.693  -1.725  1.00  0.00           O  
HETATM   40 CL   UNL     1       4.684   3.412   1.096  1.00  0.00          Cl  
HETATM   41  H   UNL     1       9.139  -0.206  -3.099  1.00  0.00           H  
HETATM   42  H   UNL     1      10.139   1.130  -2.479  1.00  0.00           H  
HETATM   43  H   UNL     1      10.224  -0.475  -1.713  1.00  0.00           H  
HETATM   44  H   UNL     1       1.843   3.106   1.369  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.132   1.124  -0.084  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.572   1.432   0.014  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.064  -2.714   0.938  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.100  -4.473   0.340  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.857  -5.263   1.340  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.987  -4.100   2.077  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.481   0.907   1.501  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.497   2.171   0.247  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.682   2.868  -0.213  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.517   1.550   0.972  1.00  0.00           H  
HETATM   55  H   UNL     1       1.541  -2.021   0.144  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.464   1.196  -0.773  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.175   1.609   0.934  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.762   0.454  -1.506  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.815  -1.514   0.828  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.062  -1.916  -0.889  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.782  -1.108  -1.413  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.727  -2.386  -0.176  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.030  -0.268  -2.158  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.865  -1.587  -0.973  1.00  0.00           H  
HETATM   65  H   UNL     1     -11.255  -1.085  -1.463  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.853  -0.763   0.241  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.694   2.044  -1.426  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.292   2.366   0.278  1.00  0.00           H  
HETATM   69  H   UNL     1     -12.865   2.112  -0.906  1.00  0.00           H  
HETATM   70  H   UNL     1     -13.102   0.413  -1.382  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.785   0.825   0.320  1.00  0.00           H  
HETATM   72  H   UNL     1       6.098   1.419   0.278  1.00  0.00           H  
HETATM   73  H   UNL     1       8.755  -2.122  -1.318  1.00  0.00           H  
HETATM   74  H   UNL     1       7.465  -4.124  -0.697  1.00  0.00           H  
HETATM   75  H   UNL     1       5.259  -3.890   0.369  1.00  0.00           H  
HETATM   76  H   UNL     1       4.339  -1.653   0.822  1.00  0.00           H  
HETATM   77  H   UNL     1       9.513   2.356   0.162  1.00  0.00           H  
HETATM   78  H   UNL     1       8.140   1.752   1.120  1.00  0.00           H  
HETATM   79  H   UNL     1       9.599   0.751   0.927  1.00  0.00           H  
CONECT    1    2    5    5   40                                       
CONECT    2   30   15   15    1                                       
CONECT    3   37   41   42   43                                       
CONECT    4   15   17   16   16                                       
CONECT    5    1    1   16   44                                       
CONECT    6    7    7   18   45                                       
CONECT    7    8    6    6   46                                       
CONECT    8   19    9    9    7                                       
CONECT    9    8    8   10   47                                       
CONECT   10    9   11   18   18                                       
CONECT   11   10   12                                                 
CONECT   12   11   48   49   50                                       
CONECT   13   21   20   51   52                                       
CONECT   14   27   28   53   54                                       
CONECT   15    2    2    4                                            
CONECT   16    4    4    5                                            
CONECT   17   18    4   55                                            
CONECT   18   10   10    6   17                                       
CONECT   19   23   20    8                                            
CONECT   20   13   19   56   57                                       
CONECT   21   24   22   13   58                                       
CONECT   22   21   23   59   60                                       
CONECT   23   22   19   61   62                                       
CONECT   24   28   25   21                                            
CONECT   25   26   24   63   64                                       
CONECT   26   27   25   65   66                                       
CONECT   27   29   14   26                                            
CONECT   28   14   24   67   68                                       
CONECT   29   27   69   70   71                                       
CONECT   30   31    2   72                                            
CONECT   31   36   36   32   30                                       
CONECT   32   33   33   31   37                                       
CONECT   33   34   32   32   73                                       
CONECT   34   35   35   33   74                                       
CONECT   35   34   34   36   75                                       
CONECT   36   35   31   31   76                                       
CONECT   37   32    3   39   39                                       
CONECT   37   38                                                      
CONECT   38   37   77   78   79                                       
CONECT   39   37   37                                                 
CONECT   40    1                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    9                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   17                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   38                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
