COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.070   4.032   0.915  1.00  0.00           N  
HETATM    2  C   UNL     1      -4.434  -2.407   0.846  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.450  -1.248  -0.946  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.649  -0.212  -0.771  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.685  -0.221   0.243  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.787   0.943   0.437  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.491   3.262   1.021  1.00  0.00           C  
HETATM    8  C   UNL     1       6.491  -0.070  -1.133  1.00  0.00           C  
HETATM    9  C   UNL     1       6.446  -1.154  -0.051  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.772   0.821  -2.592  1.00  0.00           C  
HETATM   11  C   UNL     1       4.103   0.434  -0.610  1.00  0.00           C  
HETATM   12  C   UNL     1       0.868   2.120   0.273  1.00  0.00           C  
HETATM   13  C   UNL     1       5.500   1.040  -0.769  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.232  -4.540   0.507  1.00  0.00           C  
HETATM   15  N   UNL     1      -6.236  -3.390  -0.401  1.00  0.00           N  
HETATM   16  C   UNL     1      -7.152  -3.363  -1.544  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.371  -2.326  -0.179  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.578  -1.344   1.067  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.765   0.872  -1.579  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.420   0.808   0.228  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.586   1.906   0.412  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.120   3.142   0.812  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.316   2.176   0.836  1.00  0.00           C  
HETATM   24 CL   UNL     1      -5.024   2.337   1.099  1.00  0.00          Cl  
HETATM   25  C   UNL     1       1.098   3.426   0.597  1.00  0.00           C  
HETATM   26  C   UNL     1       1.868   1.124  -0.126  1.00  0.00           C  
HETATM   27  O   UNL     1       1.525  -0.014  -0.381  1.00  0.00           O  
HETATM   28  O   UNL     1       3.169   1.471  -0.209  1.00  0.00           O  
HETATM   29  C   UNL     1       5.013  -1.675   0.080  1.00  0.00           C  
HETATM   30  O   UNL     1       4.139  -0.587   0.389  1.00  0.00           O  
HETATM   31  C   UNL     1       4.949  -2.699   1.183  1.00  0.00           C  
HETATM   32  O   UNL     1       4.300  -2.477   2.178  1.00  0.00           O  
HETATM   33  O   UNL     1       5.614  -3.859   1.061  1.00  0.00           O  
HETATM   34  O   UNL     1       7.315  -2.229  -0.416  1.00  0.00           O  
HETATM   35  O   UNL     1       7.810   0.473  -1.212  1.00  0.00           O  
HETATM   36  O   UNL     1       5.480   2.021  -1.808  1.00  0.00           O  
HETATM   37  H   UNL     1      -0.158   4.963   1.175  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.378  -3.290   1.465  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.908   4.210   1.329  1.00  0.00           H  
HETATM   40  H   UNL     1       6.216  -0.503  -2.095  1.00  0.00           H  
HETATM   41  H   UNL     1       6.769  -0.732   0.900  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.576  -0.021  -3.256  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.749   0.696  -2.126  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.757   1.747  -3.165  1.00  0.00           H  
HETATM   45  H   UNL     1       3.783   0.004  -1.559  1.00  0.00           H  
HETATM   46  H   UNL     1       5.804   1.506   0.168  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.518  -5.282   0.149  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.946  -4.213   1.506  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.228  -4.980   0.540  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.092  -2.898  -1.245  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.705  -2.788  -2.355  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.342  -4.381  -1.883  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.845  -1.380   1.859  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.008  -0.142  -0.076  1.00  0.00           H  
HETATM   55  H   UNL     1       2.066   3.904   0.598  1.00  0.00           H  
HETATM   56  H   UNL     1       4.705  -2.133  -0.860  1.00  0.00           H  
HETATM   57  H   UNL     1       5.543  -4.485   1.795  1.00  0.00           H  
HETATM   58  H   UNL     1       7.336  -2.952   0.225  1.00  0.00           H  
HETATM   59  H   UNL     1       7.909   1.171  -1.873  1.00  0.00           H  
HETATM   60  H   UNL     1       4.872   2.755  -1.643  1.00  0.00           H  
CONECT    1   25   22   37                                            
CONECT    2   17   17   18   38                                       
CONECT    3    4    4   17                                            
CONECT    4   19    3    3    5                                       
CONECT    5    4    6   18   18                                       
CONECT    6   20   20   23    5                                       
CONECT    7   22   23   23   39                                       
CONECT    8    9   13   35   40                                       
CONECT    9   29   34    8   41                                       
CONECT   10   19   42   43   44                                       
CONECT   11   30   28   13   45                                       
CONECT   12   26   25   25   21                                       
CONECT   13   11    8   36   46                                       
CONECT   14   15   47   48   49                                       
CONECT   15   16   17   14                                            
CONECT   16   15   50   51   52                                       
CONECT   17    3   15    2    2                                       
CONECT   18    5    5    2   53                                       
CONECT   19   10    4                                                 
CONECT   20   21    6    6   54                                       
CONECT   21   12   22   22   20                                       
CONECT   22    1   21   21    7                                       
CONECT   23    7    7    6   24                                       
CONECT   24   23                                                      
CONECT   25    1   12   12   55                                       
CONECT   26   28   27   27   12                                       
CONECT   27   26   26                                                 
CONECT   28   11   26                                                 
CONECT   29   31   30    9   56                                       
CONECT   30   29   11                                                 
CONECT   31   32   32   33   29                                       
CONECT   32   31   31                                                 
CONECT   33   31   57                                                 
CONECT   34    9   58                                                 
CONECT   35    8   59                                                 
CONECT   36   13   60                                                 
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   18                                                      
CONECT   54   20                                                      
CONECT   55   25                                                      
CONECT   56   29                                                      
CONECT   57   33                                                      
CONECT   58   34                                                      
CONECT   59   35                                                      
CONECT   60   36                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
