COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.470  -0.833  -0.179  1.00  0.00           C  
HETATM    2  N   UNL     1       1.104  -1.068  -0.599  1.00  0.00           N  
HETATM    3  C   UNL     1       0.880   0.285  -0.794  1.00  0.00           C  
HETATM    4  C   UNL     1       1.730   2.368  -1.293  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.598   2.053  -0.859  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.546   4.396  -0.790  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.319   2.276  -0.286  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.742   1.925   0.181  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.590  -0.257   0.701  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.716  -2.345   0.543  1.00  0.00           C  
HETATM   11  C   UNL     1       6.239   3.090   0.784  1.00  0.00           C  
HETATM   12  C   UNL     1       5.087   2.091   0.662  1.00  0.00           C  
HETATM   13  C   UNL     1       5.287   0.645   2.738  1.00  0.00           C  
HETATM   14  C   UNL     1       6.506   1.198   3.479  1.00  0.00           C  
HETATM   15  C   UNL     1       4.753  -1.342  -0.242  1.00  0.00           C  
HETATM   16  C   UNL     1       2.404  -1.579  -0.665  1.00  0.00           C  
HETATM   17  C   UNL     1       0.461   2.908  -1.176  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.978   2.583  -0.721  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.249   3.940  -0.921  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.459   1.393   0.060  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.800   1.103   0.503  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.758  -4.543   0.405  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.311  -0.788   0.587  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.250   0.030   0.265  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.041   1.736  -0.405  1.00  0.00           C  
HETATM   26  C   UNL     1       2.632  -2.833  -1.218  1.00  0.00           C  
HETATM   27  C   UNL     1       3.917  -3.334  -1.283  1.00  0.00           C  
HETATM   28  C   UNL     1       4.977  -2.591  -0.793  1.00  0.00           C  
HETATM   29  N   UNL     1       5.468   0.826   1.296  1.00  0.00           N  
HETATM   30  N   UNL     1       1.903   1.071  -1.099  1.00  0.00           N  
HETATM   31  N   UNL     1      -4.527   3.572  -0.480  1.00  0.00           N  
HETATM   32  N   UNL     1      -8.665  -1.089   1.028  1.00  0.00           N  
HETATM   33  N   UNL     1      -9.702  -3.178   0.932  1.00  0.00           N  
HETATM   34  N   UNL     1      -0.350   0.759  -0.677  1.00  0.00           N  
HETATM   35  O   UNL     1       6.806  -1.248   1.280  1.00  0.00           O  
HETATM   36  O   UNL     1       6.717   0.216  -0.744  1.00  0.00           O  
HETATM   37  O   UNL     1      -7.872  -2.728  -0.244  1.00  0.00           O  
HETATM   38  S   UNL     1       6.105  -0.399   0.381  1.00  0.00           S  
HETATM   39 CL   UNL     1       6.591  -3.224  -0.877  1.00  0.00          Cl  
HETATM   40  H   UNL     1       3.296   0.142   0.252  1.00  0.00           H  
HETATM   41  H   UNL     1       0.358  -1.661  -0.416  1.00  0.00           H  
HETATM   42  H   UNL     1       2.571   3.000  -1.537  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.759   5.444  -0.938  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.906   2.982   0.027  1.00  0.00           H  
HETATM   45  H   UNL     1       7.122   2.688   0.289  1.00  0.00           H  
HETATM   46  H   UNL     1       5.955   4.031   0.313  1.00  0.00           H  
HETATM   47  H   UNL     1       6.459   3.263   1.837  1.00  0.00           H  
HETATM   48  H   UNL     1       4.203   2.493   1.158  1.00  0.00           H  
HETATM   49  H   UNL     1       4.866   1.917  -0.391  1.00  0.00           H  
HETATM   50  H   UNL     1       5.177  -0.416   2.960  1.00  0.00           H  
HETATM   51  H   UNL     1       4.392   1.178   3.062  1.00  0.00           H  
HETATM   52  H   UNL     1       7.400   0.666   3.155  1.00  0.00           H  
HETATM   53  H   UNL     1       6.615   2.260   3.257  1.00  0.00           H  
HETATM   54  H   UNL     1       6.371   1.064   4.552  1.00  0.00           H  
HETATM   55  H   UNL     1       0.293   3.964  -1.325  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.453   4.624  -1.175  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.794   1.515   0.602  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.853  -4.511  -0.680  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.844  -5.074   0.674  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.618  -5.062   0.830  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.149  -1.844   0.750  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.257  -0.384   0.171  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.875   0.680  -0.255  1.00  0.00           H  
HETATM   64  H   UNL     1       1.805  -3.415  -1.597  1.00  0.00           H  
HETATM   65  H   UNL     1       4.094  -4.309  -1.712  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.374  -0.761   1.603  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.375  -2.872   1.560  1.00  0.00           H  
CONECT    1   16   16   15   40                                       
CONECT    2   16    3   41                                            
CONECT    3    2   30   30   34                                       
CONECT    4   30   17   17   42                                       
CONECT    5   34   34   17   18                                       
CONECT    6   19   31   31   43                                       
CONECT    7   25   25   31   20                                       
CONECT    8   20   20   21   44                                       
CONECT    9   21   21   23   32                                       
CONECT   10   32   37   37   33                                       
CONECT   11   12   45   46   47                                       
CONECT   12   29   11   48   49                                       
CONECT   13   14   29   50   51                                       
CONECT   14   13   52   53   54                                       
CONECT   15   28   28    1   38                                       
CONECT   16   26    2    1    1                                       
CONECT   17    4    4    5   55                                       
CONECT   18    5   19   19   25                                       
CONECT   19   18   18    6   56                                       
CONECT   20    7    8    8   24                                       
CONECT   21    8    9    9   57                                       
CONECT   22   33   58   59   60                                       
CONECT   23   24   24    9   61                                       
CONECT   24   20   23   23   62                                       
CONECT   25   18    7    7   63                                       
CONECT   26   27   27   16   64                                       
CONECT   27   26   26   28   65                                       
CONECT   28   27   39   15   15                                       
CONECT   29   38   13   12                                            
CONECT   30    3    3    4                                            
CONECT   31    6    6    7                                            
CONECT   32    9   10   66                                            
CONECT   33   10   22   67                                            
CONECT   34    3    5    5                                            
CONECT   35   38   38                                                 
CONECT   36   38   38                                                 
CONECT   37   10   10                                                 
CONECT   38   35   35   15   36                                       
CONECT   38   36   29                                                 
CONECT   39   28                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    4                                                      
CONECT   43    6                                                      
CONECT   44    8                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   17                                                      
CONECT   56   19                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
