COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.101  -0.177   0.053  1.00  0.00           C  
HETATM    2  C   UNL     1       4.342  -2.425  -0.764  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.146   0.871   1.262  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.405  -0.063   0.261  1.00  0.00           C  
HETATM    5  C   UNL     1       8.066  -1.309   1.944  1.00  0.00           C  
HETATM    6  C   UNL     1       4.873   1.171   0.333  1.00  0.00           C  
HETATM    7  C   UNL     1       2.616   0.940  -0.421  1.00  0.00           C  
HETATM    8  C   UNL     1       2.839  -0.418  -0.706  1.00  0.00           C  
HETATM    9  C   UNL     1       1.290   1.519  -0.676  1.00  0.00           C  
HETATM   10  C   UNL     1       0.628  -0.643  -1.453  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.047   1.220  -1.531  1.00  0.00           C  
HETATM   12  C   UNL     1       0.334   0.718  -1.196  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.436   1.852  -0.111  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.694   0.909  -1.110  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.171   1.825   1.078  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.674  -0.039  -0.924  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.146   3.520  -1.084  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.390   2.873  -0.310  1.00  0.00           C  
HETATM   19  O   UNL     1      -5.942  -2.339  -1.550  1.00  0.00           O  
HETATM   20  S   UNL     1      -6.194  -2.548  -0.168  1.00  0.00           S  
HETATM   21  O   UNL     1      -7.347  -3.256   0.268  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.709  -3.179   0.662  1.00  0.00           C  
HETATM   23  N   UNL     1      -6.394  -1.023   0.447  1.00  0.00           N  
HETATM   24 CL   UNL     1      -6.059   0.836   2.737  1.00  0.00          Cl  
HETATM   25  O   UNL     1      -2.559   4.005   0.100  1.00  0.00           O  
HETATM   26  N   UNL     1      -1.246   2.551  -0.947  1.00  0.00           N  
HETATM   27  C   UNL     1       1.063   2.964  -0.332  1.00  0.00           C  
HETATM   28  C   UNL     1       3.650   1.728   0.101  1.00  0.00           C  
HETATM   29  C   UNL     1       4.087  -0.970  -0.465  1.00  0.00           C  
HETATM   30  O   UNL     1       1.837  -1.169  -1.211  1.00  0.00           O  
HETATM   31  O   UNL     1      -0.245  -1.359  -1.910  1.00  0.00           O  
HETATM   32  N   UNL     1       6.356  -0.729   0.291  1.00  0.00           N  
HETATM   33  C   UNL     1       6.719  -0.622   1.711  1.00  0.00           C  
HETATM   34  C   UNL     1       7.377  -0.101  -0.560  1.00  0.00           C  
HETATM   35  C   UNL     1       8.725  -0.789  -0.326  1.00  0.00           C  
HETATM   36  N   UNL     1       9.087  -0.681   1.094  1.00  0.00           N  
HETATM   37  C   UNL     1      10.412  -1.263   1.345  1.00  0.00           C  
HETATM   38  H   UNL     1       4.109  -3.023   0.117  1.00  0.00           H  
HETATM   39  H   UNL     1       3.711  -2.741  -1.594  1.00  0.00           H  
HETATM   40  H   UNL     1       5.390  -2.563  -1.031  1.00  0.00           H  
HETATM   41  H   UNL     1       8.351  -1.205   2.991  1.00  0.00           H  
HETATM   42  H   UNL     1       7.983  -2.366   1.693  1.00  0.00           H  
HETATM   43  H   UNL     1       5.671   1.778   0.735  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.158   1.279  -2.614  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.790   0.532  -1.128  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.128   0.928  -2.030  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.974   2.553   1.852  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.874  -0.767  -1.696  1.00  0.00           H  
HETATM   49  H   UNL     1       0.102   3.650  -2.138  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.442   4.477  -0.654  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.862  -2.533   0.431  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.872  -3.192   1.739  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.500  -4.190   0.313  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.201  -0.800   0.936  1.00  0.00           H  
HETATM   55  H   UNL     1       0.890   3.055   0.740  1.00  0.00           H  
HETATM   56  H   UNL     1       1.948   3.540  -0.602  1.00  0.00           H  
HETATM   57  H   UNL     1       3.479   2.771   0.319  1.00  0.00           H  
HETATM   58  H   UNL     1       5.954  -1.105   2.319  1.00  0.00           H  
HETATM   59  H   UNL     1       6.794   0.430   1.988  1.00  0.00           H  
HETATM   60  H   UNL     1       7.093  -0.205  -1.607  1.00  0.00           H  
HETATM   61  H   UNL     1       7.460   0.956  -0.308  1.00  0.00           H  
HETATM   62  H   UNL     1       8.649  -1.840  -0.604  1.00  0.00           H  
HETATM   63  H   UNL     1       9.489  -0.306  -0.935  1.00  0.00           H  
HETATM   64  H   UNL     1      10.386  -2.332   1.129  1.00  0.00           H  
HETATM   65  H   UNL     1      11.149  -0.781   0.702  1.00  0.00           H  
HETATM   66  H   UNL     1      10.684  -1.110   2.389  1.00  0.00           H  
CONECT    1   32   29   29    6                                       
CONECT    2   29   38   39   40                                       
CONECT    3    4    4   15   24                                       
CONECT    4   16   23    3    3                                       
CONECT    5   36   33   41   42                                       
CONECT    6    1   28   28   43                                       
CONECT    7    8    8   28    9                                       
CONECT    8   29   30    7    7                                       
CONECT    9    7   12   12   27                                       
CONECT   10   30   31   31   12                                       
CONECT   11   12   26   44   45                                       
CONECT   12   10    9    9   11                                       
CONECT   13   14   18   15   15                                       
CONECT   14   16   16   13   46                                       
CONECT   15   13   13    3   47                                       
CONECT   16   14   14    4   48                                       
CONECT   17   27   26   49   50                                       
CONECT   18   26   25   25   13                                       
CONECT   19   20   20                                                 
CONECT   20   19   19   22   23                                       
CONECT   20   21   21                                                 
CONECT   21   20   20                                                 
CONECT   22   20   51   52   53                                       
CONECT   23    4   20   54                                            
CONECT   24    3                                                      
CONECT   25   18   18                                                 
CONECT   26   11   17   18                                            
CONECT   27    9   17   55   56                                       
CONECT   28    6    6    7   57                                       
CONECT   29    1    1    2    8                                       
CONECT   30    8   10                                                 
CONECT   31   10   10                                                 
CONECT   32   33   34    1                                            
CONECT   33    5   32   58   59                                       
CONECT   34   35   32   60   61                                       
CONECT   35   36   34   62   63                                       
CONECT   36   37    5   35                                            
CONECT   37   36   64   65   66                                       
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   33                                                      
CONECT   59   33                                                      
CONECT   60   34                                                      
CONECT   61   34                                                      
CONECT   62   35                                                      
CONECT   63   35                                                      
CONECT   64   37                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
