COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.790   1.824  -0.932  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.167   1.763  -1.970  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.954   2.773  -0.806  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.532   4.018   0.004  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.084   3.717   1.425  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.398   2.978   1.085  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.786   2.038   2.230  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.972   1.187   1.776  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.623   0.316   0.582  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.636   0.953  -0.347  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.358   0.387  -1.383  1.00  0.00           O  
HETATM   12  N   UNL     1      -3.047   2.126  -0.072  1.00  0.00           N  
HETATM   13  N   UNL     1      -5.854   0.027  -0.166  1.00  0.00           N  
HETATM   14  C   UNL     1      -4.040  -1.004   1.090  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.841  -1.945  -0.070  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.592  -2.074  -0.650  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.410  -2.937  -1.714  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.476  -3.671  -2.198  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.724  -3.543  -1.618  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.906  -2.683  -0.552  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.445   1.039   0.108  1.00  0.00           N  
HETATM   22  C   UNL     1       0.752   0.198   0.026  1.00  0.00           C  
HETATM   23  C   UNL     1       0.570  -1.035   0.913  1.00  0.00           C  
HETATM   24  O   UNL     1       0.486  -0.630   2.281  1.00  0.00           O  
HETATM   25  C   UNL     1       1.968   0.994   0.503  1.00  0.00           C  
HETATM   26  C   UNL     1       2.250   2.133  -0.480  1.00  0.00           C  
HETATM   27  C   UNL     1       3.549   2.838  -0.085  1.00  0.00           C  
HETATM   28  N   UNL     1       3.758   3.999  -0.955  1.00  0.00           N  
HETATM   29  C   UNL     1       4.906   4.735  -0.848  1.00  0.00           C  
HETATM   30  N   UNL     1       5.877   4.339  -0.027  1.00  0.00           N  
HETATM   31  N   UNL     1       5.052   5.847  -1.566  1.00  0.00           N1+
HETATM   32  C   UNL     1       1.747  -1.960   0.735  1.00  0.00           C  
HETATM   33  N   UNL     1       1.710  -3.051   0.068  1.00  0.00           N  
HETATM   34  C   UNL     1       2.839  -3.780  -0.008  1.00  0.00           C  
HETATM   35  C   UNL     1       3.078  -5.004  -0.666  1.00  0.00           C  
HETATM   36  C   UNL     1       4.311  -5.582  -0.619  1.00  0.00           C  
HETATM   37  C   UNL     1       5.352  -4.982   0.073  1.00  0.00           C  
HETATM   38  C   UNL     1       5.147  -3.786   0.725  1.00  0.00           C  
HETATM   39  C   UNL     1       3.894  -3.180   0.689  1.00  0.00           C  
HETATM   40  S   UNL     1       3.297  -1.678   1.390  1.00  0.00           S  
HETATM   41  H   UNL     1      -2.296   3.073  -1.796  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.447   4.114   0.025  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.992   4.918  -0.405  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.404   3.072   1.981  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.283   4.638   1.972  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.202   3.678   0.855  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.944   1.392   2.476  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.069   2.623   3.105  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.286   0.548   2.601  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.798   1.845   1.506  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.662  -0.552  -0.969  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.547  -0.401   0.430  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.081  -0.815   1.573  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.726  -1.452   1.808  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.760  -1.500  -0.271  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.435  -3.037  -2.167  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.334  -4.345  -3.030  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.557  -4.117  -1.997  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.880  -2.586  -0.096  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.989   1.031   0.911  1.00  0.00           H  
HETATM   61  H   UNL     1       0.905  -0.116  -1.006  1.00  0.00           H  
HETATM   62  H   UNL     1       1.767   1.409   1.490  1.00  0.00           H  
HETATM   63  H   UNL     1       2.836   0.336   0.554  1.00  0.00           H  
HETATM   64  H   UNL     1       2.349   1.727  -1.487  1.00  0.00           H  
HETATM   65  H   UNL     1       1.426   2.846  -0.455  1.00  0.00           H  
HETATM   66  H   UNL     1       3.482   3.169   0.951  1.00  0.00           H  
HETATM   67  H   UNL     1       4.385   2.148  -0.193  1.00  0.00           H  
HETATM   68  H   UNL     1       3.083   4.244  -1.606  1.00  0.00           H  
HETATM   69  H   UNL     1       5.770   3.529   0.496  1.00  0.00           H  
HETATM   70  H   UNL     1       6.691   4.861   0.049  1.00  0.00           H  
HETATM   71  H   UNL     1       4.318   6.175  -2.108  1.00  0.00           H  
HETATM   72  H   UNL     1       5.894   6.330  -1.546  1.00  0.00           H  
HETATM   73  H   UNL     1       2.279  -5.485  -1.209  1.00  0.00           H  
HETATM   74  H   UNL     1       4.479  -6.520  -1.128  1.00  0.00           H  
HETATM   75  H   UNL     1       6.323  -5.452   0.102  1.00  0.00           H  
HETATM   76  H   UNL     1       5.958  -3.319   1.265  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.346  -1.554   0.631  1.00  0.00           H  
HETATM   78  H   UNL     1       1.269  -0.161   2.601  1.00  0.00           H  
CONECT    1    2    2    3   21                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   12   41                                       
CONECT    4    3    5   42   43                                       
CONECT    5    4    6   44   45                                       
CONECT    6    5    7   12   46                                       
CONECT    7    6    8   47   48                                       
CONECT    8    7    9   49   50                                       
CONECT    9    8   10   13   14                                       
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12    3    6   10                                            
CONECT   13    9   51   52                                            
CONECT   14    9   15   53   54                                       
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   55                                       
CONECT   17   16   18   18   56                                       
CONECT   18   17   17   19   57                                       
CONECT   19   18   20   20   58                                       
CONECT   20   15   19   19   59                                       
CONECT   21    1   22   60                                            
CONECT   22   21   23   25   61                                       
CONECT   23   22   24   32   77                                       
CONECT   24   23   78                                                 
CONECT   25   22   26   62   63                                       
CONECT   26   25   27   64   65                                       
CONECT   27   26   28   66   67                                       
CONECT   28   27   29   68                                            
CONECT   29   28   30   31   31                                       
CONECT   30   29   69   70                                            
CONECT   31   29   29   71   72                                       
CONECT   32   23   33   33   40                                       
CONECT   33   32   32   34                                            
CONECT   34   33   35   35   39                                       
CONECT   35   34   34   36   73                                       
CONECT   36   35   37   37   74                                       
CONECT   37   36   36   38   75                                       
CONECT   38   37   39   39   76                                       
CONECT   39   34   38   38   40                                       
CONECT   40   32   39                                                 
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   23                                                      
CONECT   78   24                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
