COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.840   2.054   0.062  1.00  0.00           O  
HETATM    2  C   UNL     1       5.134   1.060  -0.575  1.00  0.00           C  
HETATM    3  N   UNL     1       6.293   1.018  -1.262  1.00  0.00           N  
HETATM    4  C   UNL     1       4.227  -0.099  -0.591  1.00  0.00           C  
HETATM    5  C   UNL     1       4.523  -1.221  -1.383  1.00  0.00           C  
HETATM    6  N   UNL     1       3.735  -2.264  -1.416  1.00  0.00           N  
HETATM    7  C   UNL     1       2.603  -2.324  -0.699  1.00  0.00           C  
HETATM    8  C   UNL     1       2.225  -1.239   0.127  1.00  0.00           C  
HETATM    9  C   UNL     1       1.041  -1.313   0.873  1.00  0.00           C  
HETATM   10  C   UNL     1       0.263  -2.430   0.794  1.00  0.00           C  
HETATM   11  S   UNL     1      -1.227  -2.521   1.731  1.00  0.00           S  
HETATM   12  O   UNL     1      -1.125  -1.529   2.743  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.541  -2.018   0.671  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.842  -0.679   0.535  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.883  -0.282  -0.305  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.210   1.152  -0.456  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.573   1.638  -1.660  1.00  0.00           N  
HETATM   18  C   UNL     1      -4.800   3.075  -1.832  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.739   0.729  -2.796  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.153   1.893   0.506  1.00  0.00           O  
HETATM   21  C   UNL     1      -4.614  -1.245  -1.003  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.304  -2.581  -0.858  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.266  -2.967  -0.028  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.441  -3.898   2.010  1.00  0.00           O  
HETATM   25  C   UNL     1       0.632  -3.498  -0.018  1.00  0.00           C  
HETATM   26  C   UNL     1       1.777  -3.458  -0.755  1.00  0.00           C  
HETATM   27  C   UNL     1       2.156  -4.626  -1.628  1.00  0.00           C  
HETATM   28  C   UNL     1       3.061  -0.098   0.189  1.00  0.00           C  
HETATM   29  N   UNL     1       2.737   0.980   0.984  1.00  0.00           N  
HETATM   30  C   UNL     1       1.827   1.936   0.528  1.00  0.00           C  
HETATM   31  C   UNL     1       1.459   2.993   1.350  1.00  0.00           C  
HETATM   32  C   UNL     1       1.292   1.834  -0.750  1.00  0.00           C  
HETATM   33  C   UNL     1       0.392   2.780  -1.201  1.00  0.00           C  
HETATM   34  C   UNL     1       0.020   3.829  -0.382  1.00  0.00           C  
HETATM   35  C   UNL     1       0.555   3.940   0.894  1.00  0.00           C  
HETATM   36  O   UNL     1       0.192   4.975   1.696  1.00  0.00           O  
HETATM   37  C   UNL     1      -0.744   5.913   1.161  1.00  0.00           C  
HETATM   38  H   UNL     1       6.893   1.781  -1.248  1.00  0.00           H  
HETATM   39  H   UNL     1       6.528   0.226  -1.770  1.00  0.00           H  
HETATM   40  H   UNL     1       5.423  -1.221  -1.979  1.00  0.00           H  
HETATM   41  H   UNL     1       0.746  -0.489   1.506  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.272   0.061   1.078  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.867   3.558  -2.121  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.548   3.234  -2.609  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.155   3.501  -0.893  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.749   0.320  -2.790  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.573   1.274  -3.725  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.017  -0.085  -2.720  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.422  -0.944  -1.654  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.869  -3.327  -1.397  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.024  -4.015   0.078  1.00  0.00           H  
HETATM   52  H   UNL     1       0.000  -4.373  -0.065  1.00  0.00           H  
HETATM   53  H   UNL     1       2.766  -5.325  -1.055  1.00  0.00           H  
HETATM   54  H   UNL     1       1.253  -5.131  -1.972  1.00  0.00           H  
HETATM   55  H   UNL     1       2.723  -4.269  -2.487  1.00  0.00           H  
HETATM   56  H   UNL     1       3.142   1.074   1.861  1.00  0.00           H  
HETATM   57  H   UNL     1       1.876   3.077   2.342  1.00  0.00           H  
HETATM   58  H   UNL     1       1.580   1.015  -1.392  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.022   2.699  -2.195  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.684   4.567  -0.738  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.327   6.370   0.263  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.671   5.398   0.910  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.947   6.687   1.901  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   38   39                                            
CONECT    4    2   28   28    5                                       
CONECT    5    4    6    6   40                                       
CONECT    6    5    5    7                                            
CONECT    7    6    8   26   26                                       
CONECT    8    7   28    9    9                                       
CONECT    9    8    8   10   41                                       
CONECT   10    9   11   25   25                                       
CONECT   11   10   12   12   24                                       
CONECT   11   24   13                                                 
CONECT   12   11   11                                                 
CONECT   13   11   14   14   23                                       
CONECT   14   13   13   15   42                                       
CONECT   15   14   16   21   21                                       
CONECT   16   15   17   20   20                                       
CONECT   17   16   19   18                                            
CONECT   18   17   43   44   45                                       
CONECT   19   17   46   47   48                                       
CONECT   20   16   16                                                 
CONECT   21   15   15   22   49                                       
CONECT   22   21   23   23   50                                       
CONECT   23   13   22   22   51                                       
CONECT   24   11   11                                                 
CONECT   25   10   10   26   52                                       
CONECT   26    7    7   25   27                                       
CONECT   27   26   53   54   55                                       
CONECT   28    4    4    8   29                                       
CONECT   29   28   30   56                                            
CONECT   30   29   31   31   32                                       
CONECT   31   30   30   35   57                                       
CONECT   32   30   33   33   58                                       
CONECT   33   32   32   34   59                                       
CONECT   34   33   35   35   60                                       
CONECT   35   31   34   34   36                                       
CONECT   36   35   37                                                 
CONECT   37   36   61   62   63                                       
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    5                                                      
CONECT   41    9                                                      
CONECT   42   14                                                      
CONECT   43   18                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   23                                                      
CONECT   52   25                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   29                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
CONECT   59   33                                                      
CONECT   60   34                                                      
CONECT   61   37                                                      
CONECT   62   37                                                      
CONECT   63   37                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
