COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.590  -0.327   0.321  1.00  0.00           C  
HETATM    2  C   UNL     1       0.350   1.989   0.953  1.00  0.00           C  
HETATM    3  C   UNL     1       2.470   0.831   0.636  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.650   1.158   0.195  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.068   3.458   0.959  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.901  -0.159  -0.629  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.133  -1.541  -0.710  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.407  -2.029  -0.881  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.480  -1.152  -0.976  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.617   4.650   1.781  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.225   4.569   1.206  1.00  0.00           C  
HETATM   12 CL   UNL     1       7.802   1.055  -3.508  1.00  0.00          Cl  
HETATM   13  C   UNL     1       8.113  -1.429  -0.391  1.00  0.00           C  
HETATM   14  C   UNL     1       8.391  -0.701  -1.533  1.00  0.00           C  
HETATM   15  C   UNL     1       7.438   0.147  -2.073  1.00  0.00           C  
HETATM   16  C   UNL     1       6.201   0.274  -1.476  1.00  0.00           C  
HETATM   17  C   UNL     1       5.906  -0.456  -0.321  1.00  0.00           C  
HETATM   18  C   UNL     1       6.876  -1.315   0.222  1.00  0.00           C  
HETATM   19  N   UNL     1       6.594  -2.052   1.377  1.00  0.00           N  
HETATM   20  C   UNL     1       6.833  -3.364   1.592  1.00  0.00           C  
HETATM   21  N   UNL     1       6.421  -3.641   2.802  1.00  0.00           N  
HETATM   22  N   UNL     1       5.939  -2.593   3.366  1.00  0.00           N  
HETATM   23  N   UNL     1       6.007  -1.584   2.566  1.00  0.00           N  
HETATM   24  C   UNL     1       3.783   0.706   0.002  1.00  0.00           C  
HETATM   25  O   UNL     1       2.106   0.004   1.451  1.00  0.00           O  
HETATM   26  N   UNL     1       1.664   1.863   0.318  1.00  0.00           N  
HETATM   27  C   UNL     1      -6.267   0.214  -0.898  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.977   0.721  -0.724  1.00  0.00           C  
HETATM   29  N   UNL     1      -0.303   0.169  -0.662  1.00  0.00           N  
HETATM   30  C   UNL     1      -1.455  -0.415  -1.098  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.487   0.265  -0.515  1.00  0.00           C  
HETATM   32  N   UNL     1      -1.950   1.257   0.219  1.00  0.00           N  
HETATM   33  N   UNL     1      -4.883   2.126  -0.657  1.00  0.00           N  
HETATM   34  C   UNL     1      -1.451   3.571   1.546  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.605   4.105   0.753  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.348   2.635   0.506  1.00  0.00           C  
HETATM   37  N   UNL     1      -7.777  -1.649  -1.150  1.00  0.00           N  
HETATM   38  C   UNL     1      -8.139  -2.807  -0.563  1.00  0.00           C  
HETATM   39  O   UNL     1      -9.413  -3.235  -0.650  1.00  0.00           O  
HETATM   40  O   UNL     1      -7.317  -3.464   0.043  1.00  0.00           O  
HETATM   41  C   UNL     1      -9.732  -4.491   0.006  1.00  0.00           C  
HETATM   42  O   UNL     1      -3.713   1.951   1.280  1.00  0.00           O  
HETATM   43  H   UNL     1       4.267  -1.061   1.044  1.00  0.00           H  
HETATM   44  H   UNL     1       0.411   1.629   1.980  1.00  0.00           H  
HETATM   45  H   UNL     1       0.632   4.035   1.562  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.073   3.840  -0.062  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.302  -2.228  -0.637  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.574  -3.094  -0.942  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.671   4.054   2.692  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.861   5.688   2.009  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.875   5.325   0.521  1.00  0.00           H  
HETATM   52  H   UNL     1       8.860  -2.092   0.020  1.00  0.00           H  
HETATM   53  H   UNL     1       9.357  -0.794  -2.007  1.00  0.00           H  
HETATM   54  H   UNL     1       5.461   0.937  -1.900  1.00  0.00           H  
HETATM   55  H   UNL     1       7.281  -4.056   0.894  1.00  0.00           H  
HETATM   56  H   UNL     1       4.105   1.441  -0.721  1.00  0.00           H  
HETATM   57  H   UNL     1       1.954   2.523  -0.331  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.104   0.892  -0.973  1.00  0.00           H  
HETATM   59  H   UNL     1       0.599  -0.078  -0.919  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.536  -1.254  -1.774  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.177   2.697  -1.383  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.803   2.830   2.249  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.621   4.236   1.125  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.490   4.651  -0.183  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.415  -1.160  -1.693  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.523  -4.407   1.073  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.788  -4.719  -0.140  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.125  -5.289  -0.421  1.00  0.00           H  
CONECT    1   17   24   24   43                                       
CONECT    2    5   26    4   44                                       
CONECT    3   26   24   25   25                                       
CONECT    4   29    2   32   32                                       
CONECT    5   34    2   45   46                                       
CONECT    6   31    7    7   28                                       
CONECT    7    6    6    8   47                                       
CONECT    8    7    9    9   48                                       
CONECT    9    8    8   27   37                                       
CONECT   10   11   35   49   50                                       
CONECT   11   34   34   10   51                                       
CONECT   12   15                                                      
CONECT   13   18   18   14   52                                       
CONECT   14   13   15   15   53                                       
CONECT   15   14   14   16   12                                       
CONECT   16   17   17   15   54                                       
CONECT   17   18    1   16   16                                       
CONECT   18   19   13   13   17                                       
CONECT   19   20   23   18                                            
CONECT   20   21   21   19   55                                       
CONECT   21   20   20   22                                            
CONECT   22   21   23   23                                            
CONECT   23   22   22   19                                            
CONECT   24    1    1    3   56                                       
CONECT   25    3    3                                                 
CONECT   26    2    3   57                                            
CONECT   27   28   28    9   58                                       
CONECT   28    6   33   27   27                                       
CONECT   29   30    4   59                                            
CONECT   30   29   31   31   60                                       
CONECT   31   30   30   32    6                                       
CONECT   32    4    4   31                                            
CONECT   33   36   28   61                                            
CONECT   34    5   11   11   62                                       
CONECT   35   10   36   63   64                                       
CONECT   36   42   42   35   33                                       
CONECT   37    9   38   65                                            
CONECT   38   40   40   37   39                                       
CONECT   39   38   41                                                 
CONECT   40   38   38                                                 
CONECT   41   39   66   67   68                                       
CONECT   42   36   36                                                 
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   16                                                      
CONECT   55   20                                                      
CONECT   56   24                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   29                                                      
CONECT   60   30                                                      
CONECT   61   33                                                      
CONECT   62   34                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
CONECT   65   37                                                      
CONECT   66   41                                                      
CONECT   67   41                                                      
CONECT   68   41                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
