COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -15.719 -20.539  15.590  1.00  0.00           C  
HETATM    2  C   UNL     1     -19.598 -17.650  13.180  1.00  0.00           C  
HETATM    3  C   UNL     1     -20.809 -16.904  13.781  1.00  0.00           C  
HETATM    4  C   UNL     1     -17.392 -22.021  16.693  1.00  0.00           C  
HETATM    5  C   UNL     1     -16.405 -22.430  17.816  1.00  0.00           C  
HETATM    6  C   UNL     1     -13.639 -15.821  15.516  1.00  0.00           C  
HETATM    7  C   UNL     1     -12.003 -14.107  16.168  1.00  0.00           C  
HETATM    8  C   UNL     1     -13.198 -19.374  15.724  1.00  0.00           C  
HETATM    9  C   UNL     1     -12.730 -18.665  16.637  1.00  0.00           C  
HETATM   10  C   UNL     1     -14.003 -17.688  16.978  1.00  0.00           C  
HETATM   11  C   UNL     1     -14.966 -18.513  17.257  1.00  0.00           C  
HETATM   12  C   UNL     1     -12.865 -20.941  15.655  1.00  0.00           C  
HETATM   13  C   UNL     1     -12.050 -22.794  14.180  1.00  0.00           C  
HETATM   14  C   UNL     1     -17.112 -20.581  16.185  1.00  0.00           C  
HETATM   15  C   UNL     1     -18.373 -18.982  14.731  1.00  0.00           C  
HETATM   16  C   UNL     1     -19.271 -17.381  11.703  1.00  0.00           C  
HETATM   17  C   UNL     1     -18.386 -16.787  12.789  1.00  0.00           C  
HETATM   18  C   UNL     1     -12.223 -13.390  14.867  1.00  0.00           C  
HETATM   19  C   UNL     1     -13.883 -15.100  14.189  1.00  0.00           C  
HETATM   20  C   UNL     1     -11.004 -13.564  17.194  1.00  0.00           C  
HETATM   21  C   UNL     1     -10.247 -12.276  16.839  1.00  0.00           C  
HETATM   22  C   UNL     1     -10.474 -11.553  15.521  1.00  0.00           C  
HETATM   23  C   UNL     1     -11.458 -12.095  14.515  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.233 -12.480  18.956  1.00  0.00           C  
HETATM   25  C   UNL     1     -14.877 -15.676  13.182  1.00  0.00           C  
HETATM   26  C   UNL     1     -10.858 -23.495  14.781  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.172 -22.273  17.630  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.062 -21.359  17.125  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.733 -22.540  18.057  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.132 -21.751  18.733  1.00  0.00           C  
HETATM   31  C   UNL     1     -13.224 -23.795  14.077  1.00  0.00           C  
HETATM   32  C   UNL     1     -13.455 -25.254  14.484  1.00  0.00           C  
HETATM   33  C   UNL     1     -14.437 -25.598  15.337  1.00  0.00           C  
HETATM   34  C   UNL     1     -15.420 -24.588  15.942  1.00  0.00           C  
HETATM   35  C   UNL     1     -15.462 -24.777  17.472  1.00  0.00           C  
HETATM   36  C   UNL     1     -12.393 -23.472  12.843  1.00  0.00           C  
HETATM   37  C   UNL     1     -16.607 -23.951  18.103  1.00  0.00           C  
HETATM   38  N   UNL     1     -14.752 -19.548  16.122  1.00  0.00           N  
HETATM   39  N   UNL     1     -12.237 -21.380  14.437  1.00  0.00           N  
HETATM   40  N   UNL     1     -18.117 -20.319  15.213  1.00  0.00           N  
HETATM   41  N   UNL     1     -12.711 -15.330  16.507  1.00  0.00           N  
HETATM   42  N   UNL     1     -13.160 -13.897  13.874  1.00  0.00           N  
HETATM   43  N   UNL     1     -10.124 -22.711  15.734  1.00  0.00           N  
HETATM   44  O   UNL     1     -13.102 -21.737  16.527  1.00  0.00           O  
HETATM   45  O   UNL     1     -15.409 -21.270  14.701  1.00  0.00           O  
HETATM   46  O   UNL     1     -19.301 -18.942  13.674  1.00  0.00           O  
HETATM   47  O   UNL     1     -17.854 -18.018  15.218  1.00  0.00           O  
HETATM   48  O   UNL     1     -14.361 -16.994  15.758  1.00  0.00           O  
HETATM   49  O   UNL     1      -9.336 -11.750  17.755  1.00  0.00           O  
HETATM   50  O   UNL     1     -10.510 -24.596  14.493  1.00  0.00           O  
HETATM   51  O   UNL     1      -9.261 -24.630  17.160  1.00  0.00           O  
HETATM   52  O   UNL     1      -7.813 -23.894  15.421  1.00  0.00           O  
HETATM   53  S   UNL     1      -8.799 -23.456  16.405  1.00  0.00           S  
HETATM   54  H   UNL     1     -20.928 -17.188  14.837  1.00  0.00           H  
HETATM   55  H   UNL     1     -20.643 -15.819  13.709  1.00  0.00           H  
HETATM   56  H   UNL     1     -21.719 -17.174  13.224  1.00  0.00           H  
HETATM   57  H   UNL     1     -18.419 -22.068  17.085  1.00  0.00           H  
HETATM   58  H   UNL     1     -17.288 -22.723  15.852  1.00  0.00           H  
HETATM   59  H   UNL     1     -15.371 -22.246  17.490  1.00  0.00           H  
HETATM   60  H   UNL     1     -16.612 -21.847  18.726  1.00  0.00           H  
HETATM   61  H   UNL     1     -13.129 -18.942  14.715  1.00  0.00           H  
HETATM   62  H   UNL     1     -12.443 -19.271  17.509  1.00  0.00           H  
HETATM   63  H   UNL     1     -11.861 -18.086  16.291  1.00  0.00           H  
HETATM   64  H   UNL     1     -13.731 -16.996  17.789  1.00  0.00           H  
HETATM   65  H   UNL     1     -15.952 -18.030  17.192  1.00  0.00           H  
HETATM   66  H   UNL     1     -14.844 -18.965  18.253  1.00  0.00           H  
HETATM   67  H   UNL     1     -17.180 -19.877  17.028  1.00  0.00           H  
HETATM   68  H   UNL     1     -19.923 -16.726  11.107  1.00  0.00           H  
HETATM   69  H   UNL     1     -18.890 -18.194  11.068  1.00  0.00           H  
HETATM   70  H   UNL     1     -17.367 -17.172  12.938  1.00  0.00           H  
HETATM   71  H   UNL     1     -18.400 -15.703  12.977  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.838 -14.069  18.134  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.928 -10.647  15.304  1.00  0.00           H  
HETATM   74  H   UNL     1     -11.623 -11.591  13.574  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.497 -11.998  19.617  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.213 -12.505  19.455  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.909 -13.507  18.734  1.00  0.00           H  
HETATM   78  H   UNL     1     -14.902 -15.039  12.286  1.00  0.00           H  
HETATM   79  H   UNL     1     -14.566 -16.693  12.900  1.00  0.00           H  
HETATM   80  H   UNL     1     -15.879 -15.711  13.635  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.760 -21.391  16.068  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.987 -20.326  17.497  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.196 -23.417  17.667  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.423 -22.353  19.096  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.594 -21.048  19.386  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.984 -21.237  18.264  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.499 -22.598  19.331  1.00  0.00           H  
HETATM   88  H   UNL     1     -14.180 -23.252  14.047  1.00  0.00           H  
HETATM   89  H   UNL     1     -12.815 -26.023  14.077  1.00  0.00           H  
HETATM   90  H   UNL     1     -14.538 -26.638  15.609  1.00  0.00           H  
HETATM   91  H   UNL     1     -15.089 -23.566  15.706  1.00  0.00           H  
HETATM   92  H   UNL     1     -16.423 -24.754  15.523  1.00  0.00           H  
HETATM   93  H   UNL     1     -15.620 -25.842  17.698  1.00  0.00           H  
HETATM   94  H   UNL     1     -14.504 -24.449  17.901  1.00  0.00           H  
HETATM   95  H   UNL     1     -11.716 -24.231  12.424  1.00  0.00           H  
HETATM   96  H   UNL     1     -12.832 -22.881  12.026  1.00  0.00           H  
HETATM   97  H   UNL     1     -17.567 -24.276  17.675  1.00  0.00           H  
HETATM   98  H   UNL     1     -16.616 -24.116  19.191  1.00  0.00           H  
HETATM   99  H   UNL     1     -11.928 -20.707  13.765  1.00  0.00           H  
HETATM  100  H   UNL     1     -18.659 -21.079  14.855  1.00  0.00           H  
HETATM  101  H   UNL     1     -10.392 -21.779  15.978  1.00  0.00           H  
CONECT    1   45   45   38   14                                       
CONECT    2   16   17   46    3                                       
CONECT    3    2   54   55   56                                       
CONECT    4   14    5   57   58                                       
CONECT    5    4   37   59   60                                       
CONECT    6   19   48   41   41                                       
CONECT    7   18   41   20   20                                       
CONECT    8   12   38    9   61                                       
CONECT    9    8   10   62   63                                       
CONECT   10   48    9   11   64                                       
CONECT   11   38   10   65   66                                       
CONECT   12   39    8   44   44                                       
CONECT   13   36   31   39   26                                       
CONECT   14   40    1    4   67                                       
CONECT   15   46   40   47   47                                       
CONECT   16   17    2   68   69                                       
CONECT   17   16    2   70   71                                       
CONECT   18   42   23   23    7                                       
CONECT   19   25   42   42    6                                       
CONECT   20    7    7   21   72                                       
CONECT   21   22   22   20   49                                       
CONECT   22   23   21   21   73                                       
CONECT   23   18   18   22   74                                       
CONECT   24   49   75   76   77                                       
CONECT   25   19   78   79   80                                       
CONECT   26   13   50   50   43                                       
CONECT   27   53   28   29   30                                       
CONECT   28   27   29   81   82                                       
CONECT   29   28   27   83   84                                       
CONECT   30   27   85   86   87                                       
CONECT   31   36   13   32   88                                       
CONECT   32   31   33   33   89                                       
CONECT   33   32   32   34   90                                       
CONECT   34   33   35   91   92                                       
CONECT   35   34   37   93   94                                       
CONECT   36   31   13   95   96                                       
CONECT   37   35    5   97   98                                       
CONECT   38    1    8   11                                            
CONECT   39   13   12   99                                            
CONECT   40   15   14  100                                            
CONECT   41    6    6    7                                            
CONECT   42   19   19   18                                            
CONECT   43   26   53  101                                            
CONECT   44   12   12                                                 
CONECT   45    1    1                                                 
CONECT   46    2   15                                                 
CONECT   47   15   15                                                 
CONECT   48    6   10                                                 
CONECT   49   21   24                                                 
CONECT   50   26   26                                                 
CONECT   51   53   53                                                 
CONECT   52   53   53                                                 
CONECT   53   52   52   43   51                                       
CONECT   53   51   27                                                 
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    3                                                      
CONECT   57    4                                                      
CONECT   58    4                                                      
CONECT   59    5                                                      
CONECT   60    5                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   11                                                      
CONECT   67   14                                                      
CONECT   68   16                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   17                                                      
CONECT   72   20                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   25                                                      
CONECT   80   25                                                      
CONECT   81   28                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   29                                                      
CONECT   85   30                                                      
CONECT   86   30                                                      
CONECT   87   30                                                      
CONECT   88   31                                                      
CONECT   89   32                                                      
CONECT   90   33                                                      
CONECT   91   34                                                      
CONECT   92   34                                                      
CONECT   93   35                                                      
CONECT   94   35                                                      
CONECT   95   36                                                      
CONECT   96   36                                                      
CONECT   97   37                                                      
CONECT   98   37                                                      
CONECT   99   39                                                      
CONECT  100   40                                                      
CONECT  101   43                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
