COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.526   1.591   0.505  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.663   2.548   1.201  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.848   3.316   0.192  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.976   3.086  -0.992  1.00  0.00           O  
HETATM    5  C   UNL     1       0.000   6.193  -0.889  1.00  0.00           C  
HETATM    6  C   UNL     1       2.097   5.513   0.286  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.116  -3.059   1.631  1.00  0.00           C  
HETATM    8  C   UNL     1       8.929   0.427   1.779  1.00  0.00           C  
HETATM    9  C   UNL     1       7.771   0.040   2.438  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.000  -2.250  -0.927  1.00  0.00           C  
HETATM   11  C   UNL     1       9.187  -0.007   0.497  1.00  0.00           C  
HETATM   12  C   UNL     1       6.868  -0.785   1.827  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.169  -1.553  -1.040  1.00  0.00           C  
HETATM   14  C   UNL     1       7.108  -2.174  -1.525  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.963  -0.392   0.209  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.829   1.820   0.149  1.00  0.00           C  
HETATM   17  C   UNL     1       3.917  -1.808  -0.462  1.00  0.00           C  
HETATM   18  C   UNL     1       5.057  -2.778  -0.144  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.881  -2.316   1.068  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.783  -0.899   0.586  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.056  -1.566   0.019  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.959  -0.149  -0.463  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.723   0.593  -1.026  1.00  0.00           C  
HETATM   24  C   UNL     1       1.481  -1.797  -0.425  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.893  -1.675  -0.305  1.00  0.00           C  
HETATM   26  C   UNL     1       6.379  -2.102  -0.400  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.328   0.744  -0.477  1.00  0.00           C  
HETATM   28  C   UNL     1       8.280  -0.842  -0.145  1.00  0.00           C  
HETATM   29  C   UNL     1       7.112  -1.242   0.531  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.259  -0.258  -0.527  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.147   0.329   0.105  1.00  0.00           C  
HETATM   32  C   UNL     1       0.815   5.004  -0.375  1.00  0.00           C  
HETATM   33  N   UNL     1       2.632  -2.465  -0.213  1.00  0.00           N  
HETATM   34  N   UNL     1       0.298  -2.402  -0.196  1.00  0.00           N  
HETATM   35  N   UNL     1       0.023   4.258   0.606  1.00  0.00           N  
HETATM   36  N   UNL     1       8.250  -1.431  -1.389  1.00  0.00           N  
HETATM   37  N   UNL     1      -8.300  -2.283   0.687  1.00  0.00           N  
HETATM   38  N   UNL     1      -6.540  -0.182  -0.082  1.00  0.00           N  
HETATM   39  S   UNL     1       1.520  -0.180  -0.986  1.00  0.00           S  
HETATM   40  H   UNL     1      -2.277   3.241   1.776  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.994   2.011   1.875  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.914   5.830  -1.360  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.256   6.846  -0.055  1.00  0.00           H  
HETATM   44  H   UNL     1       0.589   6.748  -1.619  1.00  0.00           H  
HETATM   45  H   UNL     1       1.841   6.167   1.120  1.00  0.00           H  
HETATM   46  H   UNL     1       2.678   4.667   0.653  1.00  0.00           H  
HETATM   47  H   UNL     1       2.686   6.069  -0.443  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.151  -3.074   1.289  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.737  -4.079   1.687  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.066  -2.598   2.618  1.00  0.00           H  
HETATM   51  H   UNL     1       9.633   1.079   2.274  1.00  0.00           H  
HETATM   52  H   UNL     1       7.581   0.393   3.441  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.932  -3.252  -1.323  1.00  0.00           H  
HETATM   54  H   UNL     1      10.092   0.300  -0.007  1.00  0.00           H  
HETATM   55  H   UNL     1       5.968  -1.082   2.346  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.022  -2.003  -1.526  1.00  0.00           H  
HETATM   57  H   UNL     1       6.835  -2.735  -2.406  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.101   0.048   0.689  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.373   2.732   0.344  1.00  0.00           H  
HETATM   60  H   UNL     1       4.003  -0.926   0.174  1.00  0.00           H  
HETATM   61  H   UNL     1       3.976  -1.508  -1.508  1.00  0.00           H  
HETATM   62  H   UNL     1       4.998  -3.078   0.902  1.00  0.00           H  
HETATM   63  H   UNL     1       4.970  -3.660  -0.780  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.543  -3.351   1.124  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.754  -1.839   2.040  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.678  -0.406   1.552  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.832  -0.901   0.290  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.007  -1.564   0.315  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.161  -2.060  -0.947  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.086  -0.627  -1.435  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.297   0.886  -0.519  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.167   1.579  -1.166  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.683   0.074  -1.983  1.00  0.00           H  
HETATM   74  H   UNL     1       1.070   4.351  -1.209  1.00  0.00           H  
HETATM   75  H   UNL     1       2.609  -3.382   0.105  1.00  0.00           H  
HETATM   76  H   UNL     1       0.273  -3.342   0.043  1.00  0.00           H  
HETATM   77  H   UNL     1       0.125   4.441   1.553  1.00  0.00           H  
HETATM   78  H   UNL     1       8.936  -1.335  -2.068  1.00  0.00           H  
CONECT    1   16   31    2                                            
CONECT    2    1    3   40   41                                       
CONECT    3    2    4    4   35                                       
CONECT    4    3    3                                                 
CONECT    5   32   42   43   44                                       
CONECT    6   32   45   46   47                                       
CONECT    7   37   48   49   50                                       
CONECT    8   11    9    9   51                                       
CONECT    9    8    8   12   52                                       
CONECT   10   13   25   25   53                                       
CONECT   11   28   28    8   54                                       
CONECT   12   29   29    9   55                                       
CONECT   13   30   30   10   56                                       
CONECT   14   36   26   26   57                                       
CONECT   15   31   31   25   58                                       
CONECT   16   27   27    1   59                                       
CONECT   17   18   33   60   61                                       
CONECT   18   26   17   62   63                                       
CONECT   19   37   21   64   65                                       
CONECT   20   22   37   66   67                                       
CONECT   21   38   19   68   69                                       
CONECT   22   20   38   70   71                                       
CONECT   23   38   27   72   73                                       
CONECT   24   34   33   39   39                                       
CONECT   25   10   10   15   34                                       
CONECT   26   14   14   29   18                                       
CONECT   27   23   16   16   30                                       
CONECT   28   11   11   36   29                                       
CONECT   29   28   26   12   12                                       
CONECT   30   27   13   13   31                                       
CONECT   31   30    1   15   15                                       
CONECT   32   35    5    6   74                                       
CONECT   33   24   17   75                                            
CONECT   34   25   24   76                                            
CONECT   35    3   32   77                                            
CONECT   36   28   14   78                                            
CONECT   37   20    7   19                                            
CONECT   38   22   23   21                                            
CONECT   39   24   24                                                 
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   23                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
