COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.200   2.188   1.238  1.00  0.00           C  
HETATM    2  O   UNL     1       3.275   1.617   2.685  1.00  0.00           O  
HETATM    3  C   UNL     1       4.999   1.387   0.730  1.00  0.00           C  
HETATM    4  O   UNL     1       3.839   2.256   0.646  1.00  0.00           O  
HETATM    5  C   UNL     1       5.314   0.822  -0.656  1.00  0.00           C  
HETATM    6  O   UNL     1       0.238   2.211   3.272  1.00  0.00           O  
HETATM    7  C   UNL     1       4.032   0.640  -1.428  1.00  0.00           C  
HETATM    8  C   UNL     1       4.066   0.501  -2.756  1.00  0.00           C  
HETATM    9  C   UNL     1       2.823   0.322  -3.503  1.00  0.00           C  
HETATM   10  C   UNL     1       1.638   0.262  -2.843  1.00  0.00           C  
HETATM   11  C   UNL     1       0.440   0.088  -3.562  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.874   0.013  -2.828  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.642   0.275  -1.339  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.951   1.740  -1.024  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.428   1.860   0.425  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.622   2.948   1.137  1.00  0.00           C  
HETATM   17  C   UNL     1       0.552   2.308   1.882  1.00  0.00           C  
HETATM   18  C   UNL     1       1.802   3.171   1.700  1.00  0.00           C  
HETATM   19  C   UNL     1       3.026   2.291   1.714  1.00  0.00           C  
HETATM   20  O   UNL     1       0.762   3.810  -3.176  1.00  0.00           O  
HETATM   21  C   UNL     1       0.605   2.716  -2.689  1.00  0.00           C  
HETATM   22  C   UNL     1       0.312   2.581  -1.217  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.814   2.205   0.443  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.690   1.087   0.602  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.679   0.300  -0.590  1.00  0.00           O  
HETATM   26  C   UNL     1      -4.506  -0.864  -0.529  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.394  -1.640  -1.843  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.961  -0.443  -0.307  1.00  0.00           C  
HETATM   29  O   UNL     1      -6.782  -1.607  -0.187  1.00  0.00           O  
HETATM   30  C   UNL     1      -7.859  -1.658  -1.125  1.00  0.00           C  
HETATM   31  O   UNL     1      -8.900  -0.774  -0.703  1.00  0.00           O  
HETATM   32  C   UNL     1      -9.427  -1.069   0.592  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.509  -0.047   0.947  1.00  0.00           C  
HETATM   34  C   UNL     1     -10.035  -2.474   0.586  1.00  0.00           C  
HETATM   35  O   UNL     1     -10.511  -2.794   1.895  1.00  0.00           O  
HETATM   36  C   UNL     1      -8.961  -3.485   0.170  1.00  0.00           C  
HETATM   37  O   UNL     1      -7.906  -3.484   1.134  1.00  0.00           O  
HETATM   38  C   UNL     1      -9.578  -4.882   0.088  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.403  -3.086  -1.199  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.055   0.384   0.979  1.00  0.00           C  
HETATM   41  N   UNL     1      -7.434   0.856   1.161  1.00  0.00           N  
HETATM   42  C   UNL     1      -7.662   1.296   2.543  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.754   1.927   0.207  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.112   1.587   0.869  1.00  0.00           C  
HETATM   45  O   UNL     1      -5.137   2.326   2.092  1.00  0.00           O  
HETATM   46  C   UNL     1      -1.522   3.677   2.136  1.00  0.00           C  
HETATM   47  C   UNL     1       5.935   2.649   2.673  1.00  0.00           C  
HETATM   48  C   UNL     1      -1.832   1.067  -3.388  1.00  0.00           C  
HETATM   49  O   UNL     1       0.465  -0.003  -4.773  1.00  0.00           O  
HETATM   50  C   UNL     1       5.385   0.527  -3.484  1.00  0.00           C  
HETATM   51  C   UNL     1       6.016  -0.530  -0.508  1.00  0.00           C  
HETATM   52  O   UNL     1       7.194  -0.371   0.284  1.00  0.00           O  
HETATM   53  C   UNL     1       8.107  -1.467   0.195  1.00  0.00           C  
HETATM   54  O   UNL     1       7.563  -2.597   0.880  1.00  0.00           O  
HETATM   55  C   UNL     1       8.389  -3.762   0.830  1.00  0.00           C  
HETATM   56  C   UNL     1       7.696  -4.910   1.567  1.00  0.00           C  
HETATM   57  C   UNL     1       9.733  -3.462   1.499  1.00  0.00           C  
HETATM   58  O   UNL     1      10.582  -4.607   1.400  1.00  0.00           O  
HETATM   59  C   UNL     1      10.392  -2.273   0.794  1.00  0.00           C  
HETATM   60  O   UNL     1      10.664  -2.616  -0.567  1.00  0.00           O  
HETATM   61  C   UNL     1       9.439  -1.074   0.839  1.00  0.00           C  
HETATM   62  O   UNL     1      10.013   0.019   0.121  1.00  0.00           O  
HETATM   63  C   UNL     1       9.770   1.296   0.714  1.00  0.00           C  
HETATM   64  H   UNL     1       7.091   1.560   1.217  1.00  0.00           H  
HETATM   65  H   UNL     1       6.353   3.058   0.600  1.00  0.00           H  
HETATM   66  H   UNL     1       4.791   0.568   1.418  1.00  0.00           H  
HETATM   67  H   UNL     1       5.966   1.512  -1.192  1.00  0.00           H  
HETATM   68  H   UNL     1       0.939   1.813   3.807  1.00  0.00           H  
HETATM   69  H   UNL     1       3.086   0.623  -0.907  1.00  0.00           H  
HETATM   70  H   UNL     1       2.847   0.239  -4.580  1.00  0.00           H  
HETATM   71  H   UNL     1       1.615   0.347  -1.767  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.308  -0.978  -2.960  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.295  -0.370  -0.750  1.00  0.00           H  
HETATM   74  H   UNL     1       0.398   0.061  -1.090  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.732   2.098  -1.695  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.284   0.908   0.935  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.243   3.659   0.403  1.00  0.00           H  
HETATM   78  H   UNL     1       0.737   1.311   1.480  1.00  0.00           H  
HETATM   79  H   UNL     1       1.744   3.698   0.748  1.00  0.00           H  
HETATM   80  H   UNL     1       1.866   3.894   2.513  1.00  0.00           H  
HETATM   81  H   UNL     1       0.676   1.834  -3.309  1.00  0.00           H  
HETATM   82  H   UNL     1       0.160   3.570  -0.785  1.00  0.00           H  
HETATM   83  H   UNL     1       1.152   2.093  -0.723  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.354   0.479   1.442  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.181  -1.497   0.297  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.343  -1.801  -2.080  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.896  -2.602  -1.740  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.864  -1.068  -2.643  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.300   0.157  -1.151  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.499  -1.354  -2.108  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.626  -1.023   1.330  1.00  0.00           H  
HETATM   92  H   UNL     1     -11.310  -0.094   0.210  1.00  0.00           H  
HETATM   93  H   UNL     1     -10.911  -0.272   1.935  1.00  0.00           H  
HETATM   94  H   UNL     1     -10.076   0.953   0.951  1.00  0.00           H  
HETATM   95  H   UNL     1     -10.863  -2.510  -0.122  1.00  0.00           H  
HETATM   96  H   UNL     1     -11.191  -2.191   2.224  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.188  -4.101   0.933  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.977  -5.161   1.063  1.00  0.00           H  
HETATM   99  H   UNL     1     -10.382  -4.881  -0.648  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.814  -5.600  -0.211  1.00  0.00           H  
HETATM  101  H   UNL     1      -9.198  -3.135  -1.944  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.600  -3.768  -1.478  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.765  -0.232   1.831  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.955   2.086   2.794  1.00  0.00           H  
HETATM  105  H   UNL     1      -8.680   1.675   2.641  1.00  0.00           H  
HETATM  106  H   UNL     1      -7.522   0.454   3.221  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.677   1.543  -0.810  1.00  0.00           H  
HETATM  108  H   UNL     1      -8.769   2.281   0.386  1.00  0.00           H  
HETATM  109  H   UNL     1      -7.053   2.751   0.339  1.00  0.00           H  
HETATM  110  H   UNL     1      -5.433   2.228   0.049  1.00  0.00           H  
HETATM  111  H   UNL     1      -4.558   3.100   2.095  1.00  0.00           H  
HETATM  112  H   UNL     1      -1.853   2.979   2.905  1.00  0.00           H  
HETATM  113  H   UNL     1      -0.965   4.491   2.600  1.00  0.00           H  
HETATM  114  H   UNL     1      -2.390   4.082   1.615  1.00  0.00           H  
HETATM  115  H   UNL     1       5.044   3.277   2.694  1.00  0.00           H  
HETATM  116  H   UNL     1       5.781   1.779   3.312  1.00  0.00           H  
HETATM  117  H   UNL     1       6.790   3.219   3.035  1.00  0.00           H  
HETATM  118  H   UNL     1      -2.092   0.812  -4.415  1.00  0.00           H  
HETATM  119  H   UNL     1      -2.736   1.096  -2.780  1.00  0.00           H  
HETATM  120  H   UNL     1      -1.349   2.044  -3.367  1.00  0.00           H  
HETATM  121  H   UNL     1       6.050  -0.224  -3.058  1.00  0.00           H  
HETATM  122  H   UNL     1       5.222   0.312  -4.540  1.00  0.00           H  
HETATM  123  H   UNL     1       5.838   1.513  -3.379  1.00  0.00           H  
HETATM  124  H   UNL     1       5.343  -1.237  -0.022  1.00  0.00           H  
HETATM  125  H   UNL     1       6.289  -0.908  -1.494  1.00  0.00           H  
HETATM  126  H   UNL     1       8.270  -1.720  -0.852  1.00  0.00           H  
HETATM  127  H   UNL     1       8.555  -4.045  -0.209  1.00  0.00           H  
HETATM  128  H   UNL     1       6.739  -5.123   1.091  1.00  0.00           H  
HETATM  129  H   UNL     1       8.326  -5.799   1.529  1.00  0.00           H  
HETATM  130  H   UNL     1       7.530  -4.627   2.606  1.00  0.00           H  
HETATM  131  H   UNL     1       9.570  -3.219   2.549  1.00  0.00           H  
HETATM  132  H   UNL     1      10.224  -5.400   1.822  1.00  0.00           H  
HETATM  133  H   UNL     1      11.323  -2.018   1.299  1.00  0.00           H  
HETATM  134  H   UNL     1      11.262  -3.369  -0.671  1.00  0.00           H  
HETATM  135  H   UNL     1       9.271  -0.782   1.876  1.00  0.00           H  
HETATM  136  H   UNL     1      10.165   2.079   0.067  1.00  0.00           H  
HETATM  137  H   UNL     1       8.698   1.438   0.844  1.00  0.00           H  
HETATM  138  H   UNL     1      10.264   1.345   1.685  1.00  0.00           H  
CONECT    1   47    3   64   65                                       
CONECT    2   19   19                                                 
CONECT    3    1    4    5   66                                       
CONECT    4    3   19                                                 
CONECT    5    3   51    7   67                                       
CONECT    6   17   68                                                 
CONECT    7    5    8    8   69                                       
CONECT    8    7    7   50    9                                       
CONECT    9    8   10   10   70                                       
CONECT   10    9    9   11   71                                       
CONECT   11   10   49   49   12                                       
CONECT   12   11   13   48   72                                       
CONECT   13   14   12   73   74                                       
CONECT   14   15   22   13   75                                       
CONECT   15   16   14   23   76                                       
CONECT   16   17   46   15   77                                       
CONECT   17   18    6   16   78                                       
CONECT   18   19   17   79   80                                       
CONECT   19    4    2    2   18                                       
CONECT   20   21   21                                                 
CONECT   21   20   20   22   81                                       
CONECT   22   21   14   82   83                                       
CONECT   23   15   24                                                 
CONECT   24   25   23   44   84                                       
CONECT   25   26   24                                                 
CONECT   26   27   25   28   85                                       
CONECT   27   26   86   87   88                                       
CONECT   28   26   29   40   89                                       
CONECT   29   28   30                                                 
CONECT   30   29   39   31   90                                       
CONECT   31   30   32                                                 
CONECT   32   31   34   33   91                                       
CONECT   33   32   92   93   94                                       
CONECT   34   36   32   35   95                                       
CONECT   35   34   96                                                 
CONECT   36   39   37   38   34                                       
CONECT   37   36   97                                                 
CONECT   38   36   98   99  100                                       
CONECT   39   30   36  101  102                                       
CONECT   40   28   44   41  103                                       
CONECT   41   40   43   42                                            
CONECT   42   41  104  105  106                                       
CONECT   43   41  107  108  109                                       
CONECT   44   24   45   40  110                                       
CONECT   45   44  111                                                 
CONECT   46   16  112  113  114                                       
CONECT   47    1  115  116  117                                       
CONECT   48   12  118  119  120                                       
CONECT   49   11   11                                                 
CONECT   50    8  121  122  123                                       
CONECT   51   52    5  124  125                                       
CONECT   52   53   51                                                 
CONECT   53   61   52   54  126                                       
CONECT   54   53   55                                                 
CONECT   55   57   54   56  127                                       
CONECT   56   55  128  129  130                                       
CONECT   57   59   58   55  131                                       
CONECT   58   57  132                                                 
CONECT   59   61   60   57  133                                       
CONECT   60   59  134                                                 
CONECT   61   62   59   53  135                                       
CONECT   62   63   61                                                 
CONECT   63   62  136  137  138                                       
CONECT   64    1                                                      
CONECT   65    1                                                      
CONECT   66    3                                                      
CONECT   67    5                                                      
CONECT   68    6                                                      
CONECT   69    7                                                      
CONECT   70    9                                                      
CONECT   71   10                                                      
CONECT   72   12                                                      
CONECT   73   13                                                      
CONECT   74   13                                                      
CONECT   75   14                                                      
CONECT   76   15                                                      
CONECT   77   16                                                      
CONECT   78   17                                                      
CONECT   79   18                                                      
CONECT   80   18                                                      
CONECT   81   21                                                      
CONECT   82   22                                                      
CONECT   83   22                                                      
CONECT   84   24                                                      
CONECT   85   26                                                      
CONECT   86   27                                                      
CONECT   87   27                                                      
CONECT   88   27                                                      
CONECT   89   28                                                      
CONECT   90   30                                                      
CONECT   91   32                                                      
CONECT   92   33                                                      
CONECT   93   33                                                      
CONECT   94   33                                                      
CONECT   95   34                                                      
CONECT   96   35                                                      
CONECT   97   37                                                      
CONECT   98   38                                                      
CONECT   99   38                                                      
CONECT  100   38                                                      
CONECT  101   39                                                      
CONECT  102   39                                                      
CONECT  103   40                                                      
CONECT  104   42                                                      
CONECT  105   42                                                      
CONECT  106   42                                                      
CONECT  107   43                                                      
CONECT  108   43                                                      
CONECT  109   43                                                      
CONECT  110   44                                                      
CONECT  111   45                                                      
CONECT  112   46                                                      
CONECT  113   46                                                      
CONECT  114   46                                                      
CONECT  115   47                                                      
CONECT  116   47                                                      
CONECT  117   47                                                      
CONECT  118   48                                                      
CONECT  119   48                                                      
CONECT  120   48                                                      
CONECT  121   50                                                      
CONECT  122   50                                                      
CONECT  123   50                                                      
CONECT  124   51                                                      
CONECT  125   51                                                      
CONECT  126   53                                                      
CONECT  127   55                                                      
CONECT  128   56                                                      
CONECT  129   56                                                      
CONECT  130   56                                                      
CONECT  131   57                                                      
CONECT  132   58                                                      
CONECT  133   59                                                      
CONECT  134   60                                                      
CONECT  135   61                                                      
CONECT  136   63                                                      
CONECT  137   63                                                      
CONECT  138   63                                                      
MASTER        0    0    0    0    0    0    0    0  138    0  138    0
END
