COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.909  -1.118   2.120  1.00  0.00           C  
HETATM    2  C   UNL     1       5.111  -2.407   1.672  1.00  0.00           C  
HETATM    3  C   UNL     1       4.825  -2.735   0.347  1.00  0.00           C  
HETATM    4  C   UNL     1       3.608   0.589  -0.990  1.00  0.00           C  
HETATM    5  C   UNL     1       2.079   0.604  -0.929  1.00  0.00           C  
HETATM    6  C   UNL     1       1.548   1.640  -1.886  1.00  0.00           C  
HETATM    7  C   UNL     1       0.943   3.953  -2.413  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.047   4.774  -1.582  1.00  0.00           C  
HETATM    9  C   UNL     1       0.673   5.353  -0.362  1.00  0.00           C  
HETATM   10  C   UNL     1       1.203   4.211   0.508  1.00  0.00           C  
HETATM   11  C   UNL     1       2.208   3.383  -0.299  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.923   0.126   2.671  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.228  -0.141   2.311  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.492  -0.932   1.194  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.436  -1.448   0.447  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.893  -1.224   0.803  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.306  -1.032  -0.515  1.00  0.00           C  
HETATM   18  C   UNL     1       5.040  -4.117  -0.140  1.00  0.00           C  
HETATM   19  N   UNL     1       4.771  -4.420  -1.378  1.00  0.00           N  
HETATM   20  N   UNL     1       5.523  -5.082   0.716  1.00  0.00           N  
HETATM   21  C   UNL     1       4.335  -1.756  -0.517  1.00  0.00           C  
HETATM   22  C   UNL     1       4.137  -0.470  -0.058  1.00  0.00           C  
HETATM   23  N   UNL     1       1.562  -0.715  -1.302  1.00  0.00           N  
HETATM   24  S   UNL     1       1.203  -1.826  -0.127  1.00  0.00           S  
HETATM   25  C   UNL     1      -0.134  -1.174   0.816  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.800  -1.695   1.750  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.102  -1.965   1.381  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.509  -1.769   0.072  1.00  0.00           C  
HETATM   29 CL   UNL     1      -8.148  -2.112  -0.385  1.00  0.00          Cl  
HETATM   30  C   UNL     1      -5.610  -1.311  -0.875  1.00  0.00           C  
HETATM   31 CL   UNL     1      -3.182  -0.445  -1.701  1.00  0.00          Cl  
HETATM   32  C   UNL     1       0.122  -0.385   1.923  1.00  0.00           C  
HETATM   33  O   UNL     1       0.699  -2.972  -0.800  1.00  0.00           O  
HETATM   34  O   UNL     1       2.326  -1.867   0.743  1.00  0.00           O  
HETATM   35  N   UNL     1       1.566   2.944  -1.545  1.00  0.00           N  
HETATM   36  C   UNL     1      -0.305   6.202   0.452  1.00  0.00           C  
HETATM   37  C   UNL     1       0.443   6.881   1.602  1.00  0.00           C  
HETATM   38  N   UNL     1      -0.496   7.696   2.383  1.00  0.00           N  
HETATM   39  O   UNL     1       1.105   1.301  -2.963  1.00  0.00           O  
HETATM   40  C   UNL     1       4.423  -0.151   1.258  1.00  0.00           C  
HETATM   41  H   UNL     1       5.126  -0.864   3.147  1.00  0.00           H  
HETATM   42  H   UNL     1       5.491  -3.161   2.345  1.00  0.00           H  
HETATM   43  H   UNL     1       3.928   0.369  -2.009  1.00  0.00           H  
HETATM   44  H   UNL     1       3.993   1.563  -0.690  1.00  0.00           H  
HETATM   45  H   UNL     1       1.758   0.847   0.084  1.00  0.00           H  
HETATM   46  H   UNL     1       0.415   3.458  -3.228  1.00  0.00           H  
HETATM   47  H   UNL     1       1.712   4.610  -2.819  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.445   5.588  -2.189  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.865   4.133  -1.252  1.00  0.00           H  
HETATM   50  H   UNL     1       1.505   5.974  -0.692  1.00  0.00           H  
HETATM   51  H   UNL     1       1.696   4.623   1.389  1.00  0.00           H  
HETATM   52  H   UNL     1       0.374   3.575   0.819  1.00  0.00           H  
HETATM   53  H   UNL     1       3.080   3.994  -0.533  1.00  0.00           H  
HETATM   54  H   UNL     1       2.516   2.514   0.282  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.717   0.739   3.536  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.044   0.261   2.894  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.635  -2.062  -0.419  1.00  0.00           H  
HETATM   58  H   UNL     1       4.431  -3.741  -1.981  1.00  0.00           H  
HETATM   59  H   UNL     1       5.723  -4.856   1.638  1.00  0.00           H  
HETATM   60  H   UNL     1       5.664  -5.987   0.397  1.00  0.00           H  
HETATM   61  H   UNL     1       4.112  -2.004  -1.545  1.00  0.00           H  
HETATM   62  H   UNL     1       1.430  -0.938  -2.237  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.485  -1.849   2.771  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.805  -2.331   2.115  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.932  -1.160  -1.895  1.00  0.00           H  
HETATM   66  H   UNL     1       1.142  -0.172   2.207  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.749   6.962  -0.191  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.091   5.564   0.857  1.00  0.00           H  
HETATM   69  H   UNL     1       0.887   6.121   2.245  1.00  0.00           H  
HETATM   70  H   UNL     1       1.229   7.519   1.197  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.026   8.155   3.149  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.969   8.366   1.796  1.00  0.00           H  
HETATM   73  H   UNL     1       4.262   0.855   1.614  1.00  0.00           H  
CONECT    1    2   40   40   41                                       
CONECT    2    3    3    1   42                                       
CONECT    3   18    2    2   21                                       
CONECT    4   22    5   43   44                                       
CONECT    5   23    6    4   45                                       
CONECT    6   39   39    5   35                                       
CONECT    7   35    8   46   47                                       
CONECT    8    7    9   48   49                                       
CONECT    9    8   10   36   50                                       
CONECT   10   11    9   51   52                                       
CONECT   11   35   10   53   54                                       
CONECT   12   13   13   32   55                                       
CONECT   13   14   12   12   56                                       
CONECT   14   16   15   15   13                                       
CONECT   15   14   14   25   57                                       
CONECT   16   17   17   26   14                                       
CONECT   17   31   30   16   16                                       
CONECT   18   19   19   20    3                                       
CONECT   19   18   18   58                                            
CONECT   20   18   59   60                                            
CONECT   21    3   22   22   61                                       
CONECT   22   21   21   40    4                                       
CONECT   23   24    5   62                                            
CONECT   24   33   33   23   25                                       
CONECT   24   34   34                                                 
CONECT   25   15   24   32   32                                       
CONECT   26   27   27   16   63                                       
CONECT   27   28   26   26   64                                       
CONECT   28   29   30   30   27                                       
CONECT   29   28                                                      
CONECT   30   28   28   17   65                                       
CONECT   31   17                                                      
CONECT   32   25   25   12   66                                       
CONECT   33   24   24                                                 
CONECT   34   24   24                                                 
CONECT   35    6    7   11                                            
CONECT   36    9   37   67   68                                       
CONECT   37   36   38   69   70                                       
CONECT   38   37   71   72                                            
CONECT   39    6    6                                                 
CONECT   40    1    1   22   73                                       
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    4                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   15                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   23                                                      
CONECT   63   26                                                      
CONECT   64   27                                                      
CONECT   65   30                                                      
CONECT   66   32                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   38                                                      
CONECT   73   40                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
