COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.786   1.449  -0.735  1.00  0.00           C  
HETATM    2  C   UNL     1       8.088   1.957  -1.060  1.00  0.00           C  
HETATM    3  C   UNL     1       4.938  -0.784  -0.517  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.703  -0.155   0.682  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.480   0.832  -0.067  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.773   2.025   0.492  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.554   3.018  -0.261  1.00  0.00           C  
HETATM    8  C   UNL     1       3.645   1.092   0.284  1.00  0.00           C  
HETATM    9  C   UNL     1       4.640   1.951  -0.132  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.981   4.201   0.363  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.152   5.572   2.237  1.00  0.00           C  
HETATM   12  C   UNL     1       0.757  -2.123   0.893  1.00  0.00           C  
HETATM   13  N   UNL     1       1.666  -2.903   1.411  1.00  0.00           N  
HETATM   14  C   UNL     1       2.879  -2.375   1.207  1.00  0.00           C  
HETATM   15  C   UNL     1       2.717  -1.206   0.528  1.00  0.00           C  
HETATM   16  N   UNL     1       1.362  -1.053   0.332  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.729  -2.377   0.911  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.410  -1.347   0.124  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.018  -3.753   0.310  1.00  0.00           C  
HETATM   20 CL   UNL     1       4.391  -3.059   1.719  1.00  0.00          Cl  
HETATM   21  C   UNL     1       3.785  -0.282   0.089  1.00  0.00           C  
HETATM   22  C   UNL     1       5.932   0.080  -0.926  1.00  0.00           C  
HETATM   23  N   UNL     1       6.794   2.323  -1.157  1.00  0.00           N  
HETATM   24  O   UNL     1       8.376   0.837  -0.689  1.00  0.00           O  
HETATM   25  O   UNL     1       9.060   2.834  -1.374  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.322   0.098   1.810  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.486  -4.066   0.452  1.00  0.00           C  
HETATM   28  C   UNL     1      10.431   2.371  -1.246  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.716   5.130  -0.357  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.027   4.892  -1.682  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.607   3.726  -2.303  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.870   2.792  -1.604  1.00  0.00           C  
HETATM   33  N   UNL     1      -3.667   4.441   1.705  1.00  0.00           N  
HETATM   34  N   UNL     1      -3.819   3.559   2.788  1.00  0.00           N  
HETATM   35  N   UNL     1      -3.408   4.187   3.837  1.00  0.00           N  
HETATM   36  N   UNL     1      -3.011   5.366   3.521  1.00  0.00           N  
HETATM   37 CL   UNL     1      -5.006   3.442  -3.968  1.00  0.00          Cl  
HETATM   38  O   UNL     1      -3.240  -3.235   0.912  1.00  0.00           O  
HETATM   39  N   UNL     1      -2.959  -5.268   0.069  1.00  0.00           N  
HETATM   40  C   UNL     1      -4.388  -5.595   0.198  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.883  -6.138  -1.147  1.00  0.00           C  
HETATM   42  O   UNL     1      -4.024  -7.200  -1.571  1.00  0.00           O  
HETATM   43  C   UNL     1      -2.671  -6.800  -1.804  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.064  -6.289  -0.498  1.00  0.00           C  
HETATM   45  H   UNL     1       5.050  -1.847  -0.670  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.819   0.607  -1.067  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.435   2.250   1.492  1.00  0.00           H  
HETATM   48  H   UNL     1       2.754   1.484   0.753  1.00  0.00           H  
HETATM   49  H   UNL     1       4.528   3.016   0.011  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.901   6.475   1.702  1.00  0.00           H  
HETATM   51  H   UNL     1       0.925  -0.316  -0.124  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.089  -2.346   1.939  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.651  -1.522  -0.799  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.748  -3.753  -0.746  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.433  -4.509   0.834  1.00  0.00           H  
HETATM   56  H   UNL     1       6.824  -0.308  -1.395  1.00  0.00           H  
HETATM   57  H   UNL     1       6.562   3.193  -1.518  1.00  0.00           H  
HETATM   58  H   UNL     1      10.621   2.080  -0.213  1.00  0.00           H  
HETATM   59  H   UNL     1      10.587   1.513  -1.900  1.00  0.00           H  
HETATM   60  H   UNL     1      11.113   3.173  -1.530  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.047   6.042   0.119  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.600   5.620  -2.238  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.542   1.887  -2.092  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.523  -6.352   0.971  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.948  -4.698   0.461  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.900  -6.515  -1.036  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.870  -5.340  -1.889  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.097  -7.653  -2.165  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.649  -6.005  -2.549  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.084  -5.853  -0.694  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.964  -7.114   0.208  1.00  0.00           H  
CONECT    1   22   22    9   23                                       
CONECT    2   24   24   23   25                                       
CONECT    3   21   21   22   45                                       
CONECT    4   18    5   26   26                                       
CONECT    5    6    6    4   46                                       
CONECT    6    7    5    5   47                                       
CONECT    7   10    6   32   32                                       
CONECT    8   21    9    9   48                                       
CONECT    9    8    8    1   49                                       
CONECT   10   33   29   29    7                                       
CONECT   11   36   36   33   50                                       
CONECT   12   13   13   17   16                                       
CONECT   13   14   12   12                                            
CONECT   14   20   13   15   15                                       
CONECT   15   14   14   16   21                                       
CONECT   16   12   15   51                                            
CONECT   17   19   18   12   52                                       
CONECT   18   17    4   53                                            
CONECT   19   27   17   54   55                                       
CONECT   20   14                                                      
CONECT   21   15    3    3    8                                       
CONECT   22    3    1    1   56                                       
CONECT   23    1    2   57                                            
CONECT   24    2    2                                                 
CONECT   25    2   28                                                 
CONECT   26    4    4                                                 
CONECT   27   39   19   38   38                                       
CONECT   28   25   58   59   60                                       
CONECT   29   10   10   30   61                                       
CONECT   30   29   31   31   62                                       
CONECT   31   30   30   32   37                                       
CONECT   32    7    7   31   63                                       
CONECT   33   11   34   10                                            
CONECT   34   35   35   33                                            
CONECT   35   36   34   34                                            
CONECT   36   11   11   35                                            
CONECT   37   31                                                      
CONECT   38   27   27                                                 
CONECT   39   40   44   27                                            
CONECT   40   41   39   64   65                                       
CONECT   41   42   40   66   67                                       
CONECT   42   41   43                                                 
CONECT   43   42   44   68   69                                       
CONECT   44   43   39   70   71                                       
CONECT   45    3                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   11                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   32                                                      
CONECT   64   40                                                      
CONECT   65   40                                                      
CONECT   66   41                                                      
CONECT   67   41                                                      
CONECT   68   43                                                      
CONECT   69   43                                                      
CONECT   70   44                                                      
CONECT   71   44                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
