COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.382   1.290   0.455  1.00  0.00           C  
HETATM    2  N   UNL     1       1.197  -0.145  -0.237  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.028   1.533   0.569  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.121   0.571   0.108  1.00  0.00           C  
HETATM    5  C   UNL     1       0.340   0.793   0.212  1.00  0.00           C  
HETATM    6  O   UNL     1       0.766   1.820   0.702  1.00  0.00           O  
HETATM    7  N   UNL     1      -3.828   0.168  -0.074  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.009  -0.770  -0.522  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.630  -0.602  -0.451  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.532  -1.935  -1.071  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.632  -2.978  -1.570  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.211  -3.886  -0.412  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.353  -3.809  -2.633  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.663  -2.927  -3.845  1.00  0.00           C  
HETATM   15  S   UNL     1      -4.531   2.494   1.033  1.00  0.00           S  
HETATM   16  O   UNL     1      -5.696   1.745   1.348  1.00  0.00           O  
HETATM   17  O   UNL     1      -3.820   3.202   2.040  1.00  0.00           O  
HETATM   18  C   UNL     1      -4.829   3.561  -0.404  1.00  0.00           C  
HETATM   19  C   UNL     1       2.642   0.074  -0.135  1.00  0.00           C  
HETATM   20  C   UNL     1       3.129   0.849  -1.361  1.00  0.00           C  
HETATM   21  O   UNL     1       2.956   0.047  -2.531  1.00  0.00           O  
HETATM   22  C   UNL     1       4.610   1.193  -1.193  1.00  0.00           C  
HETATM   23  C   UNL     1       5.081   2.126  -2.336  1.00  0.00           C  
HETATM   24  C   UNL     1       6.298   2.832  -1.683  1.00  0.00           C  
HETATM   25  C   UNL     1       5.862   2.986  -0.210  1.00  0.00           C  
HETATM   26  N   UNL     1       4.819   1.975   0.044  1.00  0.00           N  
HETATM   27  C   UNL     1       3.359  -1.276  -0.067  1.00  0.00           C  
HETATM   28  C   UNL     1       2.973  -1.987   1.204  1.00  0.00           C  
HETATM   29  C   UNL     1       1.877  -2.829   1.219  1.00  0.00           C  
HETATM   30  C   UNL     1       1.522  -3.481   2.385  1.00  0.00           C  
HETATM   31  C   UNL     1       2.263  -3.290   3.537  1.00  0.00           C  
HETATM   32  C   UNL     1       3.359  -2.448   3.522  1.00  0.00           C  
HETATM   33  C   UNL     1       3.717  -1.801   2.354  1.00  0.00           C  
HETATM   34  H   UNL     1       0.858  -0.965  -0.628  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.673   2.454   1.007  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.964  -1.368  -0.818  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.492  -2.058  -1.123  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.747  -2.516  -2.008  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.542  -4.662  -0.783  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.697  -3.294   0.345  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.096  -4.348   0.026  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.716  -4.638  -2.940  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.283  -4.198  -2.220  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.300  -2.098  -3.538  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.732  -2.537  -4.258  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.177  -3.519  -4.603  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.239   2.966  -1.219  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.537   4.344  -0.134  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.890   4.014  -0.721  1.00  0.00           H  
HETATM   50  H   UNL     1       2.860   0.646   0.767  1.00  0.00           H  
HETATM   51  H   UNL     1       2.552   1.768  -1.463  1.00  0.00           H  
HETATM   52  H   UNL     1       3.442  -0.789  -2.510  1.00  0.00           H  
HETATM   53  H   UNL     1       5.210   0.283  -1.172  1.00  0.00           H  
HETATM   54  H   UNL     1       5.385   1.551  -3.210  1.00  0.00           H  
HETATM   55  H   UNL     1       4.305   2.847  -2.595  1.00  0.00           H  
HETATM   56  H   UNL     1       7.190   2.210  -1.758  1.00  0.00           H  
HETATM   57  H   UNL     1       6.468   3.808  -2.138  1.00  0.00           H  
HETATM   58  H   UNL     1       6.714   2.813   0.448  1.00  0.00           H  
HETATM   59  H   UNL     1       5.462   3.985  -0.044  1.00  0.00           H  
HETATM   60  H   UNL     1       3.961   2.410   0.347  1.00  0.00           H  
HETATM   61  H   UNL     1       3.071  -1.884  -0.925  1.00  0.00           H  
HETATM   62  H   UNL     1       4.437  -1.116  -0.081  1.00  0.00           H  
HETATM   63  H   UNL     1       1.298  -2.978   0.320  1.00  0.00           H  
HETATM   64  H   UNL     1       0.665  -4.139   2.397  1.00  0.00           H  
HETATM   65  H   UNL     1       1.983  -3.796   4.449  1.00  0.00           H  
HETATM   66  H   UNL     1       3.938  -2.299   4.421  1.00  0.00           H  
HETATM   67  H   UNL     1       4.574  -1.143   2.342  1.00  0.00           H  
CONECT    1    7    7    3   15                                       
CONECT    2   19    5   34                                            
CONECT    3    4    4    1   35                                       
CONECT    4    9    5    3    3                                       
CONECT    5    6    6    2    4                                       
CONECT    6    5    5                                                 
CONECT    7    8    1    1                                            
CONECT    8   10    9    9    7                                       
CONECT    9    8    8    4   36                                       
CONECT   10   11    8   37                                            
CONECT   11   12   13   10   38                                       
CONECT   12   11   39   40   41                                       
CONECT   13   11   14   42   43                                       
CONECT   14   13   44   45   46                                       
CONECT   15    1   17   17   18                                       
CONECT   15   16   16                                                 
CONECT   16   15   15                                                 
CONECT   17   15   15                                                 
CONECT   18   15   47   48   49                                       
CONECT   19   27    2   20   50                                       
CONECT   20   19   21   22   51                                       
CONECT   21   20   52                                                 
CONECT   22   20   23   26   53                                       
CONECT   23   22   24   54   55                                       
CONECT   24   23   25   56   57                                       
CONECT   25   24   26   58   59                                       
CONECT   26   22   25   60                                            
CONECT   27   28   19   61   62                                       
CONECT   28   33   33   29   27                                       
CONECT   29   30   30   28   63                                       
CONECT   30   31   29   29   64                                       
CONECT   31   32   32   30   65                                       
CONECT   32   31   31   33   66                                       
CONECT   33   32   28   28   67                                       
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
