COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1     -13.105 -14.159  14.973  1.00  0.00           C  
HETATM    2  C   UNL     1     -13.901 -17.279  17.024  1.00  0.00           C  
HETATM    3  C   UNL     1     -13.362 -19.139  15.646  1.00  0.00           C  
HETATM    4  C   UNL     1     -15.914 -20.160  15.672  1.00  0.00           C  
HETATM    5  C   UNL     1     -16.687 -23.295  18.501  1.00  0.00           C  
HETATM    6  C   UNL     1     -15.787 -24.274  16.350  1.00  0.00           C  
HETATM    7  C   UNL     1     -14.795 -25.308  15.745  1.00  0.00           C  
HETATM    8  C   UNL     1     -15.061 -17.973  17.163  1.00  0.00           C  
HETATM    9  C   UNL     1     -17.332 -20.126  16.242  1.00  0.00           C  
HETATM   10  C   UNL     1     -16.466 -21.842  17.975  1.00  0.00           C  
HETATM   11  C   UNL     1     -15.594 -24.222  17.887  1.00  0.00           C  
HETATM   12  C   UNL     1     -13.729 -24.951  14.978  1.00  0.00           C  
HETATM   13  C   UNL     1     -13.387 -23.469  14.637  1.00  0.00           C  
HETATM   14  C   UNL     1     -12.677 -23.787  13.313  1.00  0.00           C  
HETATM   15  C   UNL     1     -14.166 -13.158  12.748  1.00  0.00           C  
HETATM   16  C   UNL     1     -13.959 -14.254  13.696  1.00  0.00           C  
HETATM   17  C   UNL     1     -13.174 -15.231  16.102  1.00  0.00           C  
HETATM   18  C   UNL     1     -12.744 -18.419  16.580  1.00  0.00           C  
HETATM   19  C   UNL     1     -17.580 -21.482  16.923  1.00  0.00           C  
HETATM   20  C   UNL     1     -12.164 -22.651  14.192  1.00  0.00           C  
HETATM   21  C   UNL     1     -12.999 -20.636  15.641  1.00  0.00           C  
HETATM   22  C   UNL     1     -10.923 -23.123  14.977  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.094 -21.892  17.547  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.835 -21.294  16.921  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.716 -22.321  18.056  1.00  0.00           C  
HETATM   26  C   UNL     1     -18.558 -18.602  14.637  1.00  0.00           C  
HETATM   27  C   UNL     1     -19.958 -17.225  13.170  1.00  0.00           C  
HETATM   28  C   UNL     1     -20.549 -16.553  14.438  1.00  0.00           C  
HETATM   29  C   UNL     1     -21.118 -17.489  12.173  1.00  0.00           C  
HETATM   30  C   UNL     1     -18.901 -16.305  12.498  1.00  0.00           C  
HETATM   31  C   UNL     1     -11.445 -13.898  17.418  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.556 -13.741  18.692  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.619 -12.531  18.818  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.561 -11.482  17.690  1.00  0.00           C  
HETATM   35  C   UNL     1     -10.432 -11.640  16.436  1.00  0.00           C  
HETATM   36  C   UNL     1     -11.381 -12.866  16.310  1.00  0.00           C  
HETATM   37  C   UNL     1     -15.125 -13.707  11.577  1.00  0.00           C  
HETATM   38  C   UNL     1     -15.457 -15.100  11.861  1.00  0.00           C  
HETATM   39  N   UNL     1     -14.907 -19.161  16.137  1.00  0.00           N  
HETATM   40  N   UNL     1     -12.504 -21.201  14.384  1.00  0.00           N  
HETATM   41  N   UNL     1     -10.316 -22.360  15.795  1.00  0.00           N  
HETATM   42  N   UNL     1     -18.302 -19.946  15.181  1.00  0.00           N  
HETATM   43  N   UNL     1     -12.343 -15.066  17.289  1.00  0.00           N  
HETATM   44  N   UNL     1     -12.215 -13.014  15.097  1.00  0.00           N  
HETATM   45  O   UNL     1     -14.049 -16.348  15.978  1.00  0.00           O  
HETATM   46  O   UNL     1     -15.594 -20.999  14.887  1.00  0.00           O  
HETATM   47  O   UNL     1     -13.150 -21.313  16.606  1.00  0.00           O  
HETATM   48  O   UNL     1     -10.417 -24.391  14.768  1.00  0.00           O  
HETATM   49  O   UNL     1      -8.103 -23.730  15.483  1.00  0.00           O  
HETATM   50  O   UNL     1      -9.424 -24.269  17.318  1.00  0.00           O  
HETATM   51  O   UNL     1     -18.057 -17.650  15.150  1.00  0.00           O  
HETATM   52  O   UNL     1     -19.387 -18.497  13.484  1.00  0.00           O  
HETATM   53  S   UNL     1      -8.971 -23.129  16.504  1.00  0.00           S  
HETATM   54  S   UNL     1     -14.746 -15.499  13.196  1.00  0.00           S  
HETATM   55  H   UNL     1     -13.574 -16.801  17.959  1.00  0.00           H  
HETATM   56  H   UNL     1     -13.299 -18.717  14.632  1.00  0.00           H  
HETATM   57  H   UNL     1     -16.609 -23.307  19.598  1.00  0.00           H  
HETATM   58  H   UNL     1     -17.684 -23.649  18.201  1.00  0.00           H  
HETATM   59  H   UNL     1     -15.590 -23.281  15.921  1.00  0.00           H  
HETATM   60  H   UNL     1     -16.819 -24.576  16.119  1.00  0.00           H  
HETATM   61  H   UNL     1     -14.960 -26.357  15.943  1.00  0.00           H  
HETATM   62  H   UNL     1     -15.171 -18.352  18.190  1.00  0.00           H  
HETATM   63  H   UNL     1     -15.927 -17.345  16.909  1.00  0.00           H  
HETATM   64  H   UNL     1     -17.413 -19.320  16.986  1.00  0.00           H  
HETATM   65  H   UNL     1     -16.517 -21.137  18.817  1.00  0.00           H  
HETATM   66  H   UNL     1     -15.477 -21.772  17.498  1.00  0.00           H  
HETATM   67  H   UNL     1     -14.596 -23.822  18.121  1.00  0.00           H  
HETATM   68  H   UNL     1     -15.690 -25.235  18.306  1.00  0.00           H  
HETATM   69  H   UNL     1     -13.091 -25.730  14.588  1.00  0.00           H  
HETATM   70  H   UNL     1     -14.312 -22.904  14.447  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.090 -24.712  13.213  1.00  0.00           H  
HETATM   72  H   UNL     1     -13.171 -23.561  12.357  1.00  0.00           H  
HETATM   73  H   UNL     1     -13.751 -12.163  12.821  1.00  0.00           H  
HETATM   74  H   UNL     1     -11.847 -17.931  16.171  1.00  0.00           H  
HETATM   75  H   UNL     1     -12.461 -19.047  17.438  1.00  0.00           H  
HETATM   76  H   UNL     1     -18.552 -21.446  17.437  1.00  0.00           H  
HETATM   77  H   UNL     1     -17.602 -22.265  16.151  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.749 -21.272  18.177  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.545 -21.570  15.896  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.577 -20.240  17.103  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.374 -22.004  19.052  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.342 -23.334  17.845  1.00  0.00           H  
HETATM   83  H   UNL     1     -19.742 -16.357  15.159  1.00  0.00           H  
HETATM   84  H   UNL     1     -21.030 -15.604  14.159  1.00  0.00           H  
HETATM   85  H   UNL     1     -21.294 -17.222  14.894  1.00  0.00           H  
HETATM   86  H   UNL     1     -20.720 -17.966  11.265  1.00  0.00           H  
HETATM   87  H   UNL     1     -21.860 -18.153  12.641  1.00  0.00           H  
HETATM   88  H   UNL     1     -21.596 -16.535  11.906  1.00  0.00           H  
HETATM   89  H   UNL     1     -18.497 -16.802  11.604  1.00  0.00           H  
HETATM   90  H   UNL     1     -19.374 -15.355  12.208  1.00  0.00           H  
HETATM   91  H   UNL     1     -18.084 -16.107  13.207  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.600 -14.479  19.480  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.001 -12.415  19.696  1.00  0.00           H  
HETATM   94  H   UNL     1      -8.903 -10.630  17.783  1.00  0.00           H  
HETATM   95  H   UNL     1     -10.386 -10.905  15.646  1.00  0.00           H  
HETATM   96  H   UNL     1     -15.466 -13.139  10.724  1.00  0.00           H  
HETATM   97  H   UNL     1     -12.385 -20.584  13.606  1.00  0.00           H  
HETATM   98  H   UNL     1     -10.595 -21.421  15.997  1.00  0.00           H  
HETATM   99  H   UNL     1     -18.798 -20.735  14.818  1.00  0.00           H  
HETATM  100  H   UNL     1     -16.082 -15.741  11.257  1.00  0.00           H  
CONECT    1   16   17   17   44                                       
CONECT    2    8   18   45   55                                       
CONECT    3   18   21   39   56                                       
CONECT    4    9   39   46   46                                       
CONECT    5   10   11   57   58                                       
CONECT    6    7   11   59   60                                       
CONECT    7    6   12   12   61                                       
CONECT    8    2   39   62   63                                       
CONECT    9    4   19   42   64                                       
CONECT   10    5   19   65   66                                       
CONECT   11    5    6   67   68                                       
CONECT   12    7    7   13   69                                       
CONECT   13   12   14   20   70                                       
CONECT   14   13   20   71   72                                       
CONECT   15   16   16   37   73                                       
CONECT   16    1   15   15   54                                       
CONECT   17    1    1   43   45                                       
CONECT   18    2    3   74   75                                       
CONECT   19    9   10   76   77                                       
CONECT   20   13   14   22   40                                       
CONECT   21    3   40   47   47                                       
CONECT   22   20   41   48   48                                       
CONECT   23   24   25   53   78                                       
CONECT   24   23   25   79   80                                       
CONECT   25   23   24   81   82                                       
CONECT   26   42   51   51   52                                       
CONECT   27   28   29   30   52                                       
CONECT   28   27   83   84   85                                       
CONECT   29   27   86   87   88                                       
CONECT   30   27   89   90   91                                       
CONECT   31   32   36   43   43                                       
CONECT   32   31   33   33   92                                       
CONECT   33   32   32   34   93                                       
CONECT   34   33   35   35   94                                       
CONECT   35   34   34   36   95                                       
CONECT   36   31   35   44   44                                       
CONECT   37   15   38   38   96                                       
CONECT   38   37   37   54  100                                       
CONECT   39    3    4    8                                            
CONECT   40   20   21   97                                            
CONECT   41   22   53   98                                            
CONECT   42    9   26   99                                            
CONECT   43   17   31   31                                            
CONECT   44    1   36   36                                            
CONECT   45    2   17                                                 
CONECT   46    4    4                                                 
CONECT   47   21   21                                                 
CONECT   48   22   22                                                 
CONECT   49   53   53                                                 
CONECT   50   53   53                                                 
CONECT   51   26   26                                                 
CONECT   52   26   27                                                 
CONECT   53   23   41   49   49                                       
CONECT   53   50   50                                                 
CONECT   54   16   38                                                 
CONECT   55    2                                                      
CONECT   56    3                                                      
CONECT   57    5                                                      
CONECT   58    5                                                      
CONECT   59    6                                                      
CONECT   60    6                                                      
CONECT   61    7                                                      
CONECT   62    8                                                      
CONECT   63    8                                                      
CONECT   64    9                                                      
CONECT   65   10                                                      
CONECT   66   10                                                      
CONECT   67   11                                                      
CONECT   68   11                                                      
CONECT   69   12                                                      
CONECT   70   13                                                      
CONECT   71   14                                                      
CONECT   72   14                                                      
CONECT   73   15                                                      
CONECT   74   18                                                      
CONECT   75   18                                                      
CONECT   76   19                                                      
CONECT   77   19                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   24                                                      
CONECT   81   25                                                      
CONECT   82   25                                                      
CONECT   83   28                                                      
CONECT   84   28                                                      
CONECT   85   28                                                      
CONECT   86   29                                                      
CONECT   87   29                                                      
CONECT   88   29                                                      
CONECT   89   30                                                      
CONECT   90   30                                                      
CONECT   91   30                                                      
CONECT   92   32                                                      
CONECT   93   33                                                      
CONECT   94   34                                                      
CONECT   95   35                                                      
CONECT   96   37                                                      
CONECT   97   40                                                      
CONECT   98   41                                                      
CONECT   99   42                                                      
CONECT  100   38                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
