COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.769  -1.972   1.963  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.774  -3.125   1.816  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.222  -2.621   2.014  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.214  -1.992   1.084  1.00  0.00           C  
HETATM    5  C   UNL     1       1.117  -1.731   1.194  1.00  0.00           C  
HETATM    6  C   UNL     1       1.797  -1.122   0.132  1.00  0.00           C  
HETATM    7  C   UNL     1       1.105  -0.783  -1.036  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.230  -1.046  -1.143  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.911  -1.655  -0.083  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.318  -2.054   0.089  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.831   1.756  -1.704  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.812   2.463  -2.330  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.036   4.213  -0.711  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.849   5.042   1.911  1.00  0.00           O  
HETATM   15  C   UNL     1      -4.220   5.136   0.692  1.00  0.00           C  
HETATM   16  C   UNL     1       3.239  -0.837   0.245  1.00  0.00           C  
HETATM   17  C   UNL     1       5.675  -0.537   0.042  1.00  0.00           C  
HETATM   18  C   UNL     1       7.896   0.074   0.595  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.337  -4.164   0.844  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.663  -4.831   1.214  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.614  -3.800   0.084  1.00  0.00           C  
HETATM   22  N   UNL     1      -2.503  -2.611   1.299  1.00  0.00           N  
HETATM   23  O   UNL     1      -3.190  -1.900  -0.745  1.00  0.00           O  
HETATM   24  S   UNL     1      -1.097  -0.618  -2.616  1.00  0.00           S  
HETATM   25  O   UNL     1      -0.158   0.040  -3.456  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.814  -1.779  -3.012  1.00  0.00           O  
HETATM   27  N   UNL     1      -2.232   0.515  -2.205  1.00  0.00           N  
HETATM   28  C   UNL     1      -0.418   3.689  -1.832  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.043   3.507  -0.079  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.446   2.282  -0.576  1.00  0.00           C  
HETATM   31  S   UNL     1      -2.826   4.178   1.349  1.00  0.00           S  
HETATM   32  O   UNL     1      -3.295   3.040   2.059  1.00  0.00           O  
HETATM   33  S   UNL     1       4.465  -1.194  -0.970  1.00  0.00           S  
HETATM   34  N   UNL     1       7.023  -0.467  -0.278  1.00  0.00           N  
HETATM   35  O   UNL     1       7.502   0.501   1.661  1.00  0.00           O  
HETATM   36  C   UNL     1       9.361   0.150   0.248  1.00  0.00           C  
HETATM   37  N   UNL     1       5.153  -0.110   1.152  1.00  0.00           N  
HETATM   38  C   UNL     1       3.855  -0.252   1.296  1.00  0.00           C  
HETATM   39  C   UNL     1       3.115   0.200   2.529  1.00  0.00           C  
HETATM   40  H   UNL     1      -5.714  -2.354   2.347  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.367  -1.232   2.655  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.933  -1.508   0.990  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.610  -3.589   2.789  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.930  -3.646   2.246  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.301  -2.038   2.932  1.00  0.00           H  
HETATM   46  H   UNL     1       1.648  -1.994   2.097  1.00  0.00           H  
HETATM   47  H   UNL     1       1.629  -0.313  -1.855  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.329   2.055  -3.205  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.725   5.171  -0.323  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.844   5.916   0.029  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.885   4.476   0.136  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.767   5.593   1.517  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.597  -4.770   0.323  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.795  -5.877   0.936  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.135  -4.530   2.150  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.053  -2.821   0.276  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.714  -4.168  -0.938  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.175   0.317  -2.313  1.00  0.00           H  
HETATM   59  H   UNL     1       0.374   4.240  -2.318  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.238   1.735  -0.087  1.00  0.00           H  
HETATM   61  H   UNL     1       7.338  -0.808  -1.129  1.00  0.00           H  
HETATM   62  H   UNL     1       9.905   0.615   1.070  1.00  0.00           H  
HETATM   63  H   UNL     1       9.746  -0.856   0.080  1.00  0.00           H  
HETATM   64  H   UNL     1       9.489   0.744  -0.656  1.00  0.00           H  
HETATM   65  H   UNL     1       3.143  -0.590   3.279  1.00  0.00           H  
HETATM   66  H   UNL     1       3.588   1.098   2.928  1.00  0.00           H  
HETATM   67  H   UNL     1       2.079   0.420   2.270  1.00  0.00           H  
CONECT    1    2   40   41   42                                       
CONECT    2   22   19    1   43                                       
CONECT    3   22    4   44   45                                       
CONECT    4    9    3    5    5                                       
CONECT    5    4    4    6   46                                       
CONECT    6    7    7    5   16                                       
CONECT    7    8    6    6   47                                       
CONECT    8   24    9    9    7                                       
CONECT    9    8    8   10    4                                       
CONECT   10   23   23    9   22                                       
CONECT   11   27   30   30   12                                       
CONECT   12   11   28   28   48                                       
CONECT   13   29   29   28   49                                       
CONECT   14   31   31                                                 
CONECT   15   31   50   51   52                                       
CONECT   16    6   33   38   38                                       
CONECT   17   33   34   37   37                                       
CONECT   18   36   35   35   34                                       
CONECT   19   20   21    2   53                                       
CONECT   20   21   19   54   55                                       
CONECT   21   20   19   56   57                                       
CONECT   22   10    2    3                                            
CONECT   23   10   10                                                 
CONECT   24   25   25   26   26                                       
CONECT   24   27    8                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27   24   11   58                                            
CONECT   28   12   12   13   59                                       
CONECT   29   30   31   13   13                                       
CONECT   30   11   11   29   60                                       
CONECT   31   14   14   29   32                                       
CONECT   31   32   15                                                 
CONECT   32   31   31                                                 
CONECT   33   16   17                                                 
CONECT   34   18   17   61                                            
CONECT   35   18   18                                                 
CONECT   36   18   62   63   64                                       
CONECT   37   17   17   38                                            
CONECT   38   16   16   37   39                                       
CONECT   39   38   65   66   67                                       
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    5                                                      
CONECT   47    7                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   30                                                      
CONECT   61   34                                                      
CONECT   62   36                                                      
CONECT   63   36                                                      
CONECT   64   36                                                      
CONECT   65   39                                                      
CONECT   66   39                                                      
CONECT   67   39                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
