COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -9.292   0.677   2.451  1.00  0.00           O  
HETATM    2  C   UNL     1      -7.059   0.495  -0.564  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.716   2.838   0.429  1.00  0.00           C  
HETATM    4  C   UNL     1     -10.872   3.523  -0.255  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.543  -1.287   1.105  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.962   1.148   0.488  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.494   0.068   1.434  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.932  -0.262   0.146  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.725  -0.895  -0.541  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.984  -1.828  -1.501  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.851   0.598  -0.426  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.456   2.065  -0.612  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.035  -0.276  -1.382  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.479  -1.734  -1.233  1.00  0.00           C  
HETATM   15  C   UNL     1       0.364  -3.215  -1.626  1.00  0.00           C  
HETATM   16  C   UNL     1       1.107  -3.927  -2.727  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.096  -4.234  -0.580  1.00  0.00           C  
HETATM   18  C   UNL     1       1.132  -4.903   0.045  1.00  0.00           C  
HETATM   19  C   UNL     1       2.039  -3.823   0.644  1.00  0.00           C  
HETATM   20  C   UNL     1       3.255  -4.955   2.426  1.00  0.00           C  
HETATM   21  C   UNL     1       4.504  -5.595   2.976  1.00  0.00           C  
HETATM   22  C   UNL     1       2.417  -2.821  -0.450  1.00  0.00           C  
HETATM   23  C   UNL     1       3.273  -1.706   0.154  1.00  0.00           C  
HETATM   24  C   UNL     1       3.554  -0.645  -0.912  1.00  0.00           C  
HETATM   25  C   UNL     1       4.455   0.443  -0.324  1.00  0.00           C  
HETATM   26  C   UNL     1       6.893   2.715  -0.301  1.00  0.00           C  
HETATM   27  C   UNL     1       7.141   2.408   1.002  1.00  0.00           C  
HETATM   28  C   UNL     1       8.462   2.187   1.424  1.00  0.00           C  
HETATM   29  C   UNL     1       9.519   2.289   0.485  1.00  0.00           C  
HETATM   30  C   UNL     1       9.224   2.608  -0.851  1.00  0.00           C  
HETATM   31  C   UNL     1       7.931   2.815  -1.225  1.00  0.00           C  
HETATM   32  C   UNL     1       8.758   1.869   2.761  1.00  0.00           C  
HETATM   33  C   UNL     1      10.050   1.662   3.134  1.00  0.00           C  
HETATM   34  C   UNL     1      11.089   1.763   2.210  1.00  0.00           C  
HETATM   35  C   UNL     1      10.841   2.069   0.908  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.424  -2.006   1.863  1.00  0.00           C  
HETATM   37  N   UNL     1      -9.085   1.813  -0.177  1.00  0.00           N  
HETATM   38  N   UNL     1       3.253  -4.445   1.179  1.00  0.00           N  
HETATM   39  N   UNL     1       4.627   1.518  -1.304  1.00  0.00           N  
HETATM   40  O   UNL     1      -2.395   4.960   1.410  1.00  0.00           O  
HETATM   41  O   UNL     1      -2.557   4.899  -0.941  1.00  0.00           O  
HETATM   42  O   UNL     1      -0.426   4.444  -0.041  1.00  0.00           O  
HETATM   43  O   UNL     1      -1.254   0.155  -2.727  1.00  0.00           O  
HETATM   44  O   UNL     1      -0.774  -2.547  -2.174  1.00  0.00           O  
HETATM   45  O   UNL     1       0.757  -3.794  -3.876  1.00  0.00           O  
HETATM   46  O   UNL     1       2.158  -4.708  -2.432  1.00  0.00           O  
HETATM   47  O   UNL     1       1.228  -2.258  -1.010  1.00  0.00           O  
HETATM   48  O   UNL     1       0.715  -5.802   1.074  1.00  0.00           O  
HETATM   49  O   UNL     1       2.252  -4.900   3.106  1.00  0.00           O  
HETATM   50  O   UNL     1      -6.499   1.503  -1.408  1.00  0.00           O  
HETATM   51  O   UNL     1       2.575  -1.108   1.248  1.00  0.00           O  
HETATM   52  O   UNL     1       4.208  -1.253  -2.028  1.00  0.00           O  
HETATM   53  O   UNL     1       4.501   3.364   0.328  1.00  0.00           O  
HETATM   54  O   UNL     1       5.309   3.786  -1.999  1.00  0.00           O  
HETATM   55  O   UNL     1      -9.354   3.210   1.525  1.00  0.00           O  
HETATM   56  O   UNL     1      -7.395  -0.618   2.037  1.00  0.00           O  
HETATM   57  O   UNL     1      -5.987  -3.039   2.675  1.00  0.00           O  
HETATM   58  O   UNL     1      -5.125  -0.935  -0.822  1.00  0.00           O  
HETATM   59  O   UNL     1      -3.423  -3.172  -1.294  1.00  0.00           O  
HETATM   60  O   UNL     1      -3.243   0.440  -0.709  1.00  0.00           O  
HETATM   61  O   UNL     1      -2.131   2.867   0.359  1.00  0.00           O  
HETATM   62  S   UNL     1      -1.810   4.352   0.267  1.00  0.00           S  
HETATM   63  S   UNL     1       5.233   2.984  -0.829  1.00  0.00           S  
HETATM   64  H   UNL     1      -9.663   0.050   3.087  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.644  -0.201  -1.165  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.050   3.054  -1.222  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.765   3.431   0.363  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.636   4.577  -0.399  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.124  -2.014   0.538  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.389   1.880   1.056  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.101  -0.641   0.871  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.318   0.442   0.708  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.551  -1.217   0.486  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.190  -1.531  -2.529  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.653   0.296   0.602  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.379   2.169  -0.484  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.736   2.392  -1.613  1.00  0.00           H  
HETATM   78  H   UNL     1       0.024  -0.191  -1.139  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.267  -2.078  -0.221  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.668  -3.725   0.196  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.720  -4.990  -1.057  1.00  0.00           H  
HETATM   82  H   UNL     1       1.678  -5.453  -0.722  1.00  0.00           H  
HETATM   83  H   UNL     1       1.510  -3.307   1.446  1.00  0.00           H  
HETATM   84  H   UNL     1       5.295  -5.551   2.227  1.00  0.00           H  
HETATM   85  H   UNL     1       4.822  -5.060   3.872  1.00  0.00           H  
HETATM   86  H   UNL     1       4.299  -6.635   3.228  1.00  0.00           H  
HETATM   87  H   UNL     1       2.981  -3.330  -1.231  1.00  0.00           H  
HETATM   88  H   UNL     1       4.216  -2.123   0.508  1.00  0.00           H  
HETATM   89  H   UNL     1       2.614  -0.201  -1.239  1.00  0.00           H  
HETATM   90  H   UNL     1       3.996   0.845   0.580  1.00  0.00           H  
HETATM   91  H   UNL     1       5.427   0.016  -0.078  1.00  0.00           H  
HETATM   92  H   UNL     1       6.326   2.334   1.707  1.00  0.00           H  
HETATM   93  H   UNL     1      10.018   2.689  -1.578  1.00  0.00           H  
HETATM   94  H   UNL     1       7.707   3.060  -2.253  1.00  0.00           H  
HETATM   95  H   UNL     1       7.963   1.788   3.488  1.00  0.00           H  
HETATM   96  H   UNL     1      10.274   1.417   4.162  1.00  0.00           H  
HETATM   97  H   UNL     1      12.106   1.595   2.533  1.00  0.00           H  
HETATM   98  H   UNL     1      11.656   2.142   0.203  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.726  -2.445   1.150  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.897  -1.293   2.496  1.00  0.00           H  
HETATM  101  H   UNL     1      -9.375   1.516  -1.054  1.00  0.00           H  
HETATM  102  H   UNL     1       4.055  -4.489   0.635  1.00  0.00           H  
HETATM  103  H   UNL     1       4.386   1.371  -2.232  1.00  0.00           H  
HETATM  104  H   UNL     1      -0.999   1.073  -2.892  1.00  0.00           H  
HETATM  105  H   UNL     1       2.602  -5.144  -3.172  1.00  0.00           H  
HETATM  106  H   UNL     1       0.131  -6.509   0.766  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.158   2.023  -1.890  1.00  0.00           H  
HETATM  108  H   UNL     1       1.726  -0.716   1.005  1.00  0.00           H  
HETATM  109  H   UNL     1       5.053  -1.669  -1.810  1.00  0.00           H  
HETATM  110  H   UNL     1      -5.334  -3.537   3.185  1.00  0.00           H  
HETATM  111  H   UNL     1      -4.369  -3.304  -1.442  1.00  0.00           H  
HETATM  112  H   UNL     1      -2.420   5.845  -1.092  1.00  0.00           H  
CONECT    1    7   64                                                 
CONECT    2    6   50    8   65                                       
CONECT    3    4   55   55   37                                       
CONECT    4    3   66   67   68                                       
CONECT    5   56    8   36   69                                       
CONECT    6   37    7    2   70                                       
CONECT    7    6    1   56   71                                       
CONECT    8    2    5   58   72                                       
CONECT    9   60   58   10   73                                       
CONECT   10    9   14   59   74                                       
CONECT   11   12   60   13   75                                       
CONECT   12   61   11   76   77                                       
CONECT   13   11   43   14   78                                       
CONECT   14   13   10   44   79                                       
CONECT   15   44   16   47   17                                       
CONECT   16   15   45   45   46                                       
CONECT   17   15   18   80   81                                       
CONECT   18   17   19   48   82                                       
CONECT   19   22   18   38   83                                       
CONECT   20   38   49   49   21                                       
CONECT   21   20   84   85   86                                       
CONECT   22   47   23   19   87                                       
CONECT   23   24   51   22   88                                       
CONECT   24   25   23   52   89                                       
CONECT   25   39   24   90   91                                       
CONECT   26   27   63   31   31                                       
CONECT   27   28   28   26   92                                       
CONECT   28   32   27   27   29                                       
CONECT   29   28   35   30   30                                       
CONECT   30   29   29   31   93                                       
CONECT   31   26   26   30   94                                       
CONECT   32   33   33   28   95                                       
CONECT   33   32   32   34   96                                       
CONECT   34   33   35   35   97                                       
CONECT   35   34   34   29   98                                       
CONECT   36    5   57   99  100                                       
CONECT   37    3    6  101                                            
CONECT   38   19   20  102                                            
CONECT   39   63   25  103                                            
CONECT   40   62   62                                                 
CONECT   41   62  112                                                 
CONECT   42   62   62                                                 
CONECT   43   13  104                                                 
CONECT   44   14   15                                                 
CONECT   45   16   16                                                 
CONECT   46   16  105                                                 
CONECT   47   15   22                                                 
CONECT   48   18  106                                                 
CONECT   49   20   20                                                 
CONECT   50    2  107                                                 
CONECT   51   23  108                                                 
CONECT   52   24  109                                                 
CONECT   53   63   63                                                 
CONECT   54   63   63                                                 
CONECT   55    3    3                                                 
CONECT   56    7    5                                                 
CONECT   57   36  110                                                 
CONECT   58    8    9                                                 
CONECT   59   10  111                                                 
CONECT   60   11    9                                                 
CONECT   61   62   12                                                 
CONECT   62   40   40   42   42                                       
CONECT   62   41   61                                                 
CONECT   63   54   54   39   26                                       
CONECT   63   53   53                                                 
CONECT   64    1                                                      
CONECT   65    2                                                      
CONECT   66    4                                                      
CONECT   67    4                                                      
CONECT   68    4                                                      
CONECT   69    5                                                      
CONECT   70    6                                                      
CONECT   71    7                                                      
CONECT   72    8                                                      
CONECT   73    9                                                      
CONECT   74   10                                                      
CONECT   75   11                                                      
CONECT   76   12                                                      
CONECT   77   12                                                      
CONECT   78   13                                                      
CONECT   79   14                                                      
CONECT   80   17                                                      
CONECT   81   17                                                      
CONECT   82   18                                                      
CONECT   83   19                                                      
CONECT   84   21                                                      
CONECT   85   21                                                      
CONECT   86   21                                                      
CONECT   87   22                                                      
CONECT   88   23                                                      
CONECT   89   24                                                      
CONECT   90   25                                                      
CONECT   91   25                                                      
CONECT   92   27                                                      
CONECT   93   30                                                      
CONECT   94   31                                                      
CONECT   95   32                                                      
CONECT   96   33                                                      
CONECT   97   34                                                      
CONECT   98   35                                                      
CONECT   99   36                                                      
CONECT  100   36                                                      
CONECT  101   37                                                      
CONECT  102   38                                                      
CONECT  103   39                                                      
CONECT  104   43                                                      
CONECT  105   46                                                      
CONECT  106   48                                                      
CONECT  107   50                                                      
CONECT  108   51                                                      
CONECT  109   52                                                      
CONECT  110   57                                                      
CONECT  111   59                                                      
CONECT  112   41                                                      
MASTER        0    0    0    0    0    0    0    0  112    0  112    0
END
