COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.516  -4.889   0.753  1.00  0.00           C  
HETATM    2  C   UNL     1       1.921  -4.239   0.788  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.326  -3.920  -0.099  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.522  -3.417   0.714  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.922  -1.903   0.779  1.00  0.00           C  
HETATM    6  C   UNL     1     -11.012   2.900  -0.057  1.00  0.00           C  
HETATM    7  C   UNL     1     -13.552   3.500  -1.387  1.00  0.00           C  
HETATM    8  C   UNL     1     -12.392   2.846  -2.139  1.00  0.00           C  
HETATM    9  C   UNL     1     -11.564   2.003  -1.166  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.921  -1.021   0.025  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.049  -0.605   0.971  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.110   0.736   0.900  1.00  0.00           C  
HETATM   13  C   UNL     1     -10.184   2.057   0.916  1.00  0.00           C  
HETATM   14  C   UNL     1     -12.172   3.555   0.696  1.00  0.00           C  
HETATM   15  C   UNL     1     -13.000   4.397  -0.277  1.00  0.00           C  
HETATM   16  C   UNL     1       1.879  -3.307  -0.449  1.00  0.00           C  
HETATM   17  C   UNL     1       2.546  -0.957   0.185  1.00  0.00           C  
HETATM   18  C   UNL     1       4.659  -0.950  -0.300  1.00  0.00           C  
HETATM   19  C   UNL     1       4.164  -2.229  -0.606  1.00  0.00           C  
HETATM   20  C   UNL     1       6.266  -2.861  -1.288  1.00  0.00           C  
HETATM   21  C   UNL     1       6.023  -0.696  -0.525  1.00  0.00           C  
HETATM   22  C   UNL     1       7.991   0.792  -0.485  1.00  0.00           C  
HETATM   23  C   UNL     1       8.333   2.231  -0.093  1.00  0.00           C  
HETATM   24  C   UNL     1       9.820   2.489  -0.345  1.00  0.00           C  
HETATM   25  C   UNL     1      10.156   3.906   0.042  1.00  0.00           C  
HETATM   26  C   UNL     1      10.562   4.193   1.332  1.00  0.00           C  
HETATM   27  C   UNL     1      10.870   5.493   1.686  1.00  0.00           C  
HETATM   28  C   UNL     1      10.773   6.506   0.751  1.00  0.00           C  
HETATM   29  C   UNL     1      10.367   6.219  -0.539  1.00  0.00           C  
HETATM   30  C   UNL     1      10.064   4.918  -0.895  1.00  0.00           C  
HETATM   31  N   UNL     1      -7.005   0.239   0.250  1.00  0.00           N  
HETATM   32  N   UNL     1      -9.007   1.528   0.223  1.00  0.00           N  
HETATM   33  N   UNL     1      -8.307   0.456   2.158  1.00  0.00           N  
HETATM   34  N   UNL     1       2.828  -2.202  -0.295  1.00  0.00           N  
HETATM   35  N   UNL     1       3.621  -0.225   0.181  1.00  0.00           N  
HETATM   36  N   UNL     1       4.996  -3.145  -1.093  1.00  0.00           N  
HETATM   37  N   UNL     1       6.777  -1.674  -1.016  1.00  0.00           N  
HETATM   38  N   UNL     1       6.567   0.545  -0.244  1.00  0.00           N  
HETATM   39  O   UNL     1       0.522  -2.815  -0.454  1.00  0.00           O  
HETATM   40  O   UNL     1       0.575  -6.176   0.135  1.00  0.00           O  
HETATM   41  O   UNL     1       2.943  -5.228   0.648  1.00  0.00           O  
HETATM   42  S   UNL     1      -2.585  -2.396  -0.343  1.00  0.00           S  
HETATM   43  H   UNL     1       0.105  -4.968   1.759  1.00  0.00           H  
HETATM   44  H   UNL     1       2.061  -3.664   1.704  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.677  -4.426  -0.999  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.091  -4.269   1.087  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.165  -2.822   1.554  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.506  -1.345   1.617  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.431  -2.792   1.151  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.381   3.674  -0.495  1.00  0.00           H  
HETATM   51  H   UNL     1     -14.142   4.101  -2.080  1.00  0.00           H  
HETATM   52  H   UNL     1     -14.183   2.727  -0.948  1.00  0.00           H  
HETATM   53  H   UNL     1     -12.785   2.207  -2.929  1.00  0.00           H  
HETATM   54  H   UNL     1     -11.761   3.619  -2.577  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.737   1.537  -1.702  1.00  0.00           H  
HETATM   56  H   UNL     1     -12.195   1.230  -0.728  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.412  -0.132  -0.347  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.337  -1.579  -0.813  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.558  -1.495   1.344  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.632  -0.047   1.810  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.865   2.678   1.753  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.790   1.231   1.286  1.00  0.00           H  
HETATM   63  H   UNL     1     -12.803   2.781   1.134  1.00  0.00           H  
HETATM   64  H   UNL     1     -11.779   4.194   1.486  1.00  0.00           H  
HETATM   65  H   UNL     1     -12.369   5.171  -0.715  1.00  0.00           H  
HETATM   66  H   UNL     1     -13.826   4.864   0.259  1.00  0.00           H  
HETATM   67  H   UNL     1       2.087  -3.869  -1.360  1.00  0.00           H  
HETATM   68  H   UNL     1       1.572  -0.627   0.515  1.00  0.00           H  
HETATM   69  H   UNL     1       6.915  -3.627  -1.685  1.00  0.00           H  
HETATM   70  H   UNL     1       8.212   0.641  -1.541  1.00  0.00           H  
HETATM   71  H   UNL     1       8.586   0.101   0.113  1.00  0.00           H  
HETATM   72  H   UNL     1       7.738   2.921  -0.690  1.00  0.00           H  
HETATM   73  H   UNL     1       8.112   2.382   0.964  1.00  0.00           H  
HETATM   74  H   UNL     1      10.415   1.798   0.253  1.00  0.00           H  
HETATM   75  H   UNL     1      10.041   2.338  -1.401  1.00  0.00           H  
HETATM   76  H   UNL     1      10.638   3.402   2.062  1.00  0.00           H  
HETATM   77  H   UNL     1      11.187   5.717   2.694  1.00  0.00           H  
HETATM   78  H   UNL     1      11.013   7.522   1.028  1.00  0.00           H  
HETATM   79  H   UNL     1      10.290   7.011  -1.270  1.00  0.00           H  
HETATM   80  H   UNL     1       9.747   4.694  -1.903  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.858   0.447  -0.686  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.860   1.736  -0.713  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.674  -0.103   2.635  1.00  0.00           H  
HETATM   84  H   UNL     1       6.006   1.251   0.114  1.00  0.00           H  
HETATM   85  H   UNL     1       1.094  -6.826   0.629  1.00  0.00           H  
HETATM   86  H   UNL     1       3.009  -5.835   1.398  1.00  0.00           H  
CONECT    1    2   40    3   43                                       
CONECT    2   41   16    1   44                                       
CONECT    3    1   39    4   45                                       
CONECT    4   42    3   46   47                                       
CONECT    5   10   42   48   49                                       
CONECT    6    9   13   14   50                                       
CONECT    7    8   15   51   52                                       
CONECT    8    9    7   53   54                                       
CONECT    9    8    6   55   56                                       
CONECT   10   11    5   57   58                                       
CONECT   11   31   10   59   60                                       
CONECT   12   32   33   33   31                                       
CONECT   13    6   32   61   62                                       
CONECT   14    6   15   63   64                                       
CONECT   15    7   14   65   66                                       
CONECT   16   34    2   39   67                                       
CONECT   17   35   35   34   68                                       
CONECT   18   35   21   21   19                                       
CONECT   19   18   34   36   36                                       
CONECT   20   37   37   36   69                                       
CONECT   21   38   18   18   37                                       
CONECT   22   23   38   70   71                                       
CONECT   23   24   22   72   73                                       
CONECT   24   25   23   74   75                                       
CONECT   25   30   30   26   24                                       
CONECT   26   27   27   25   76                                       
CONECT   27   28   26   26   77                                       
CONECT   28   29   29   27   78                                       
CONECT   29   28   28   30   79                                       
CONECT   30   29   25   25   80                                       
CONECT   31   12   11   81                                            
CONECT   32   13   12   82                                            
CONECT   33   12   12   83                                            
CONECT   34   17   19   16                                            
CONECT   35   17   17   18                                            
CONECT   36   19   19   20                                            
CONECT   37   21   20   20                                            
CONECT   38   22   21   84                                            
CONECT   39   16    3                                                 
CONECT   40    1   85                                                 
CONECT   41    2   86                                                 
CONECT   42    5    4                                                 
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   11                                                      
CONECT   61   13                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   20                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   38                                                      
CONECT   85   40                                                      
CONECT   86   41                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
