COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.861   4.728   0.848  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.499   3.371   2.961  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.388   2.339   0.757  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.452   2.402  -0.453  1.00  0.00           O  
HETATM    5  N   UNL     1      -3.577   3.447   1.500  1.00  0.00           N  
HETATM    6  N   UNL     1      -3.050  -0.040   0.420  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.870  -0.413  -0.114  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.842  -1.212  -1.025  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.096   1.022   1.428  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.287  -0.698  -0.007  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.991  -1.623  -1.190  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.847  -1.506   1.135  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.215  -1.576   1.327  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.994  -2.182   1.987  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.728  -2.318   2.374  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.508  -2.923   3.034  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.875  -2.989   3.229  1.00  0.00           C  
HETATM   18  C   UNL     1       1.876  -0.086   0.255  1.00  0.00           C  
HETATM   19  O   UNL     1       1.873   0.272   1.413  1.00  0.00           O  
HETATM   20  C   UNL     1       0.575  -0.240  -0.490  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.585   0.164   0.422  1.00  0.00           C  
HETATM   22  C   UNL     1       0.587   0.659  -1.728  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.614   0.350  -2.584  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.558   1.253  -2.853  1.00  0.00           C  
HETATM   25  S   UNL     1      -2.770   0.488  -3.878  1.00  0.00           S  
HETATM   26  C   UNL     1      -1.890  -0.977  -3.845  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.815  -0.835  -3.132  1.00  0.00           N  
HETATM   28  N   UNL     1      -2.266  -2.144  -4.490  1.00  0.00           N  
HETATM   29  C   UNL     1       4.981   1.041   0.183  1.00  0.00           C  
HETATM   30  C   UNL     1       4.299  -0.314   0.387  1.00  0.00           C  
HETATM   31  C   UNL     1       5.221  -1.429  -0.108  1.00  0.00           C  
HETATM   32  C   UNL     1       4.564  -2.787   0.149  1.00  0.00           C  
HETATM   33  C   UNL     1       5.427  -3.895  -0.457  1.00  0.00           C  
HETATM   34  C   UNL     1       4.770  -5.252  -0.200  1.00  0.00           C  
HETATM   35  C   UNL     1       4.636  -5.477   1.308  1.00  0.00           C  
HETATM   36  C   UNL     1       3.772  -4.369   1.914  1.00  0.00           C  
HETATM   37  C   UNL     1       4.430  -3.011   1.657  1.00  0.00           C  
HETATM   38  N   UNL     1       3.043  -0.347  -0.367  1.00  0.00           N  
HETATM   39  O   UNL     1       5.254   1.231  -1.207  1.00  0.00           O  
HETATM   40  C   UNL     1       4.058   2.156   0.678  1.00  0.00           C  
HETATM   41  C   UNL     1       4.740   3.510   0.473  1.00  0.00           C  
HETATM   42  C   UNL     1       3.770   4.632   0.851  1.00  0.00           C  
HETATM   43  C   UNL     1       4.491   5.979   0.766  1.00  0.00           C  
HETATM   44  C   UNL     1       2.583   4.627  -0.113  1.00  0.00           C  
HETATM   45  O   UNL     1       3.784   1.966   2.067  1.00  0.00           O  
HETATM   46  H   UNL     1      -2.924   5.246   0.643  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.390   4.549  -0.088  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.479   5.340   1.504  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.486   3.151   3.367  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.804   2.581   3.247  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.148   4.324   3.357  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.135   1.079   1.939  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.880   0.802   2.153  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.014   0.056  -0.309  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.322  -2.420  -0.868  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.923  -2.056  -1.555  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.518  -1.051  -1.988  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.881  -1.052   0.658  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.926  -2.131   1.834  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.796  -2.372   2.525  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.841  -3.452   3.700  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.276  -3.568   4.048  1.00  0.00           H  
HETATM   63  H   UNL     1       0.452  -1.279  -0.796  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.660   1.251   0.454  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.407  -0.217   1.428  1.00  0.00           H  
HETATM   66  H   UNL     1       0.555   1.703  -1.419  1.00  0.00           H  
HETATM   67  H   UNL     1       1.497   0.477  -2.300  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.576   2.275  -2.505  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.045  -2.149  -5.068  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.750  -2.956  -4.364  1.00  0.00           H  
HETATM   71  H   UNL     1       5.915   1.066   0.744  1.00  0.00           H  
HETATM   72  H   UNL     1       4.090  -0.459   1.447  1.00  0.00           H  
HETATM   73  H   UNL     1       5.398  -1.307  -1.177  1.00  0.00           H  
HETATM   74  H   UNL     1       6.171  -1.379   0.425  1.00  0.00           H  
HETATM   75  H   UNL     1       3.575  -2.804  -0.310  1.00  0.00           H  
HETATM   76  H   UNL     1       5.523  -3.735  -1.531  1.00  0.00           H  
HETATM   77  H   UNL     1       6.416  -3.877   0.002  1.00  0.00           H  
HETATM   78  H   UNL     1       3.781  -5.270  -0.659  1.00  0.00           H  
HETATM   79  H   UNL     1       5.385  -6.041  -0.632  1.00  0.00           H  
HETATM   80  H   UNL     1       4.168  -6.444   1.491  1.00  0.00           H  
HETATM   81  H   UNL     1       5.624  -5.459   1.767  1.00  0.00           H  
HETATM   82  H   UNL     1       2.784  -4.386   1.454  1.00  0.00           H  
HETATM   83  H   UNL     1       3.677  -4.529   2.988  1.00  0.00           H  
HETATM   84  H   UNL     1       5.418  -2.994   2.116  1.00  0.00           H  
HETATM   85  H   UNL     1       3.815  -2.222   2.088  1.00  0.00           H  
HETATM   86  H   UNL     1       3.052  -0.557  -1.314  1.00  0.00           H  
HETATM   87  H   UNL     1       4.467   1.220  -1.768  1.00  0.00           H  
HETATM   88  H   UNL     1       3.124   2.131   0.116  1.00  0.00           H  
HETATM   89  H   UNL     1       5.627   3.569   1.103  1.00  0.00           H  
HETATM   90  H   UNL     1       5.029   3.617  -0.573  1.00  0.00           H  
HETATM   91  H   UNL     1       3.413   4.475   1.869  1.00  0.00           H  
HETATM   92  H   UNL     1       4.848   6.136  -0.251  1.00  0.00           H  
HETATM   93  H   UNL     1       3.800   6.778   1.036  1.00  0.00           H  
HETATM   94  H   UNL     1       5.337   5.983   1.453  1.00  0.00           H  
HETATM   95  H   UNL     1       1.892   5.426   0.156  1.00  0.00           H  
HETATM   96  H   UNL     1       2.941   4.784  -1.131  1.00  0.00           H  
HETATM   97  H   UNL     1       2.070   3.667  -0.052  1.00  0.00           H  
HETATM   98  H   UNL     1       4.571   1.977   2.628  1.00  0.00           H  
CONECT    1    5   46   47   48                                       
CONECT    2    5   49   50   51                                       
CONECT    3    4    4    5    9                                       
CONECT    4    3    3                                                 
CONECT    5    1    2    3                                            
CONECT    6    7    9   10                                            
CONECT    7    6    8    8   21                                       
CONECT    8    7    7                                                 
CONECT    9    6   52   53    3                                       
CONECT   10    6   11   12   54                                       
CONECT   11   10   55   56   57                                       
CONECT   12   10   13   13   14                                       
CONECT   13   12   12   15   58                                       
CONECT   14   12   16   16   59                                       
CONECT   15   13   17   17   60                                       
CONECT   16   14   14   17   61                                       
CONECT   17   15   15   16   62                                       
CONECT   18   19   19   20   38                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   22   63                                       
CONECT   21   20   64   65    7                                       
CONECT   22   20   23   66   67                                       
CONECT   23   22   24   24   27                                       
CONECT   24   23   23   25   68                                       
CONECT   25   24   26                                                 
CONECT   26   25   27   27   28                                       
CONECT   27   23   26   26                                            
CONECT   28   26   69   70                                            
CONECT   29   30   39   71   40                                       
CONECT   30   29   31   38   72                                       
CONECT   31   30   32   73   74                                       
CONECT   32   31   33   37   75                                       
CONECT   33   32   34   76   77                                       
CONECT   34   33   35   78   79                                       
CONECT   35   34   36   80   81                                       
CONECT   36   35   37   82   83                                       
CONECT   37   32   36   84   85                                       
CONECT   38   30   86   18                                            
CONECT   39   29   87                                                 
CONECT   40   41   45   88   29                                       
CONECT   41   40   42   89   90                                       
CONECT   42   41   43   44   91                                       
CONECT   43   42   92   93   94                                       
CONECT   44   42   95   96   97                                       
CONECT   45   40   98                                                 
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   24                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   41                                                      
CONECT   90   41                                                      
CONECT   91   42                                                      
CONECT   92   43                                                      
CONECT   93   43                                                      
CONECT   94   43                                                      
CONECT   95   44                                                      
CONECT   96   44                                                      
CONECT   97   44                                                      
CONECT   98   45                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
