COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.506   1.663   2.194  1.00  0.00           C  
HETATM    2  O   UNL     1       5.820   0.903   2.843  1.00  0.00           O  
HETATM    3  C   UNL     1       7.617   2.432   2.861  1.00  0.00           C  
HETATM    4  N   UNL     1       6.279   1.816   0.874  1.00  0.00           N  
HETATM    5  C   UNL     1       5.203   1.064   0.224  1.00  0.00           C  
HETATM    6  C   UNL     1       3.885   1.418   0.863  1.00  0.00           C  
HETATM    7  O   UNL     1       3.862   1.913   1.970  1.00  0.00           O  
HETATM    8  N   UNL     1      10.182  -2.279  -3.775  1.00  0.00           N  
HETATM    9  N   UNL     1      11.407  -1.845  -1.851  1.00  0.00           N  
HETATM   10  C   UNL     1       6.716  -0.811  -0.362  1.00  0.00           C  
HETATM   11  C   UNL     1       7.939  -0.767   0.284  1.00  0.00           C  
HETATM   12  C   UNL     1       9.091  -1.115  -0.391  1.00  0.00           C  
HETATM   13  C   UNL     1       9.021  -1.513  -1.726  1.00  0.00           C  
HETATM   14  C   UNL     1       7.785  -1.556  -2.371  1.00  0.00           C  
HETATM   15  C   UNL     1       6.640  -1.205  -1.686  1.00  0.00           C  
HETATM   16  C   UNL     1       5.461  -0.436   0.383  1.00  0.00           C  
HETATM   17  C   UNL     1      10.254  -1.887  -2.456  1.00  0.00           C  
HETATM   18  N   UNL     1       2.733   1.185   0.205  1.00  0.00           N  
HETATM   19  C   UNL     1       1.452   1.529   0.827  1.00  0.00           C  
HETATM   20  C   UNL     1       0.362   0.667   0.243  1.00  0.00           C  
HETATM   21  O   UNL     1       0.629  -0.154  -0.609  1.00  0.00           O  
HETATM   22  C   UNL     1       1.135   3.001   0.560  1.00  0.00           C  
HETATM   23  C   UNL     1       2.241   3.877   1.153  1.00  0.00           C  
HETATM   24  C   UNL     1       1.924   5.350   0.886  1.00  0.00           C  
HETATM   25  C   UNL     1       1.838   5.588  -0.623  1.00  0.00           C  
HETATM   26  C   UNL     1       0.732   4.713  -1.215  1.00  0.00           C  
HETATM   27  C   UNL     1       1.049   3.240  -0.949  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.909   0.808   0.667  1.00  0.00           N  
HETATM   29  C   UNL     1      -1.968  -0.030   0.100  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.021  -1.363   0.850  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.722  -2.135   0.610  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.775  -3.467   1.360  1.00  0.00           C  
HETATM   33  C   UNL     1       0.524  -4.239   1.120  1.00  0.00           C  
HETATM   34  N   UNL     1       0.473  -5.518   1.840  1.00  0.00           N  
HETATM   35  C   UNL     1      -0.563  -6.397   1.281  1.00  0.00           C  
HETATM   36  C   UNL     1       1.785  -6.180   1.831  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.293   0.675   0.234  1.00  0.00           C  
HETATM   38  O   UNL     1      -3.348   1.770   0.753  1.00  0.00           O  
HETATM   39  N   UNL     1      -4.418   0.089  -0.222  1.00  0.00           N  
HETATM   40  C   UNL     1      -5.719   0.723   0.006  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.799  -0.328  -0.003  1.00  0.00           C  
HETATM   42  O   UNL     1      -6.574  -1.424  -0.470  1.00  0.00           O  
HETATM   43  C   UNL     1      -5.990   1.743  -1.101  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.828   1.070  -2.466  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.063   0.217  -2.763  1.00  0.00           C  
HETATM   46  C   UNL     1      -5.675   2.140  -3.548  1.00  0.00           C  
HETATM   47  N   UNL     1      -8.014  -0.050   0.507  1.00  0.00           N  
HETATM   48  C   UNL     1      -9.109  -1.014   0.688  1.00  0.00           C  
HETATM   49  C   UNL     1      -9.489  -1.613  -0.641  1.00  0.00           C  
HETATM   50  O   UNL     1      -9.309  -0.986  -1.663  1.00  0.00           O  
HETATM   51  C   UNL     1     -10.308  -0.242   1.277  1.00  0.00           C  
HETATM   52  C   UNL     1     -10.011   1.225   0.868  1.00  0.00           C  
HETATM   53  C   UNL     1      -8.465   1.271   0.983  1.00  0.00           C  
HETATM   54  N   UNL     1     -10.030  -2.847  -0.695  1.00  0.00           N  
HETATM   55  H   UNL     1       7.651   2.176   3.920  1.00  0.00           H  
HETATM   56  H   UNL     1       8.568   2.175   2.395  1.00  0.00           H  
HETATM   57  H   UNL     1       7.436   3.501   2.751  1.00  0.00           H  
HETATM   58  H   UNL     1       6.828   2.424   0.355  1.00  0.00           H  
HETATM   59  H   UNL     1       5.172   1.317  -0.836  1.00  0.00           H  
HETATM   60  H   UNL     1      10.989  -2.524  -4.253  1.00  0.00           H  
HETATM   61  H   UNL     1       9.323  -2.310  -4.225  1.00  0.00           H  
HETATM   62  H   UNL     1      11.458  -1.569  -0.923  1.00  0.00           H  
HETATM   63  H   UNL     1       7.992  -0.459   1.317  1.00  0.00           H  
HETATM   64  H   UNL     1      10.045  -1.080   0.113  1.00  0.00           H  
HETATM   65  H   UNL     1       7.725  -1.862  -3.405  1.00  0.00           H  
HETATM   66  H   UNL     1       5.682  -1.237  -2.184  1.00  0.00           H  
HETATM   67  H   UNL     1       5.580  -0.674   1.440  1.00  0.00           H  
HETATM   68  H   UNL     1       4.617  -0.994  -0.022  1.00  0.00           H  
HETATM   69  H   UNL     1       2.751   0.789  -0.680  1.00  0.00           H  
HETATM   70  H   UNL     1       1.512   1.359   1.902  1.00  0.00           H  
HETATM   71  H   UNL     1       0.181   3.258   1.023  1.00  0.00           H  
HETATM   72  H   UNL     1       2.301   3.707   2.228  1.00  0.00           H  
HETATM   73  H   UNL     1       3.194   3.621   0.691  1.00  0.00           H  
HETATM   74  H   UNL     1       0.970   5.606   1.349  1.00  0.00           H  
HETATM   75  H   UNL     1       2.712   5.973   1.309  1.00  0.00           H  
HETATM   76  H   UNL     1       1.612   6.637  -0.812  1.00  0.00           H  
HETATM   77  H   UNL     1       2.792   5.332  -1.085  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.221   4.969  -0.753  1.00  0.00           H  
HETATM   79  H   UNL     1       0.672   4.882  -2.290  1.00  0.00           H  
HETATM   80  H   UNL     1       2.003   2.984  -1.411  1.00  0.00           H  
HETATM   81  H   UNL     1       0.261   2.616  -1.371  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.123   1.465   1.349  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.760  -0.214  -0.954  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.141  -1.175   1.916  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.865  -1.950   0.487  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.603  -2.322  -0.457  1.00  0.00           H  
HETATM   87  H   UNL     1       0.122  -1.547   0.972  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.895  -3.279   2.427  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.619  -4.055   0.998  1.00  0.00           H  
HETATM   90  H   UNL     1       0.643  -4.427   0.053  1.00  0.00           H  
HETATM   91  H   UNL     1       1.368  -3.652   1.482  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.344  -6.594   0.232  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.579  -7.337   1.832  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.535  -5.910   1.364  1.00  0.00           H  
HETATM   95  H   UNL     1       2.520  -5.536   2.314  1.00  0.00           H  
HETATM   96  H   UNL     1       1.719  -7.125   2.371  1.00  0.00           H  
HETATM   97  H   UNL     1       2.089  -6.370   0.802  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.366  -0.752  -0.701  1.00  0.00           H  
HETATM   99  H   UNL     1      -5.712   1.229   0.972  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.007   2.125  -1.003  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.283   2.568  -1.017  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.942   0.435  -2.455  1.00  0.00           H  
HETATM  103  H   UNL     1      -7.960   0.757  -2.460  1.00  0.00           H  
HETATM  104  H   UNL     1      -7.110   0.005  -3.832  1.00  0.00           H  
HETATM  105  H   UNL     1      -6.999  -0.720  -2.210  1.00  0.00           H  
HETATM  106  H   UNL     1      -4.795   2.748  -3.336  1.00  0.00           H  
HETATM  107  H   UNL     1      -5.560   1.661  -4.520  1.00  0.00           H  
HETATM  108  H   UNL     1      -6.561   2.775  -3.559  1.00  0.00           H  
HETATM  109  H   UNL     1      -8.800  -1.802   1.375  1.00  0.00           H  
HETATM  110  H   UNL     1     -11.243  -0.584   0.834  1.00  0.00           H  
HETATM  111  H   UNL     1     -10.335  -0.341   2.362  1.00  0.00           H  
HETATM  112  H   UNL     1     -10.336   1.419  -0.154  1.00  0.00           H  
HETATM  113  H   UNL     1     -10.474   1.926   1.563  1.00  0.00           H  
HETATM  114  H   UNL     1      -8.163   1.424   2.019  1.00  0.00           H  
HETATM  115  H   UNL     1      -8.061   2.061   0.349  1.00  0.00           H  
HETATM  116  H   UNL     1     -10.174  -3.349   0.122  1.00  0.00           H  
HETATM  117  H   UNL     1     -10.274  -3.233  -1.551  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   55   56   57                                       
CONECT    4    5   58    1                                            
CONECT    5    4    6   16   59                                       
CONECT    6    5    7    7   18                                       
CONECT    7    6    6                                                 
CONECT    8   17   60   61                                            
CONECT    9   17   17   62                                            
CONECT   10   11   11   15   16                                       
CONECT   11   10   10   12   63                                       
CONECT   12   11   13   13   64                                       
CONECT   13   12   12   14   17                                       
CONECT   14   13   15   15   65                                       
CONECT   15   10   14   14   66                                       
CONECT   16    5   10   67   68                                       
CONECT   17    8    9    9   13                                       
CONECT   18   19   69    6                                            
CONECT   19   18   22   20   70                                       
CONECT   20   19   21   21   28                                       
CONECT   21   20   20                                                 
CONECT   22   19   27   23   71                                       
CONECT   23   22   24   72   73                                       
CONECT   24   23   25   74   75                                       
CONECT   25   24   26   76   77                                       
CONECT   26   25   27   78   79                                       
CONECT   27   22   26   80   81                                       
CONECT   28   29   82   20                                            
CONECT   29   28   30   37   83                                       
CONECT   30   29   31   84   85                                       
CONECT   31   30   32   86   87                                       
CONECT   32   31   33   88   89                                       
CONECT   33   32   34   90   91                                       
CONECT   34   33   35   36                                            
CONECT   35   34   92   93   94                                       
CONECT   36   34   95   96   97                                       
CONECT   37   29   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   40   98   37                                            
CONECT   40   39   41   43   99                                       
CONECT   41   40   42   42   47                                       
CONECT   42   41   41                                                 
CONECT   43   40   44  100  101                                       
CONECT   44   43   45   46  102                                       
CONECT   45   44  103  104  105                                       
CONECT   46   44  106  107  108                                       
CONECT   47   48   53   41                                            
CONECT   48   47   49   51  109                                       
CONECT   49   48   50   50   54                                       
CONECT   50   49   49                                                 
CONECT   51   48   52  110  111                                       
CONECT   52   51   53  112  113                                       
CONECT   53   47   52  114  115                                       
CONECT   54  116  117   49                                            
CONECT   55    3                                                      
CONECT   56    3                                                      
CONECT   57    3                                                      
CONECT   58    4                                                      
CONECT   59    5                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   16                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   25                                                      
CONECT   78   26                                                      
CONECT   79   26                                                      
CONECT   80   27                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   30                                                      
CONECT   86   31                                                      
CONECT   87   31                                                      
CONECT   88   32                                                      
CONECT   89   32                                                      
CONECT   90   33                                                      
CONECT   91   33                                                      
CONECT   92   35                                                      
CONECT   93   35                                                      
CONECT   94   35                                                      
CONECT   95   36                                                      
CONECT   96   36                                                      
CONECT   97   36                                                      
CONECT   98   39                                                      
CONECT   99   40                                                      
CONECT  100   43                                                      
CONECT  101   43                                                      
CONECT  102   44                                                      
CONECT  103   45                                                      
CONECT  104   45                                                      
CONECT  105   45                                                      
CONECT  106   46                                                      
CONECT  107   46                                                      
CONECT  108   46                                                      
CONECT  109   48                                                      
CONECT  110   51                                                      
CONECT  111   51                                                      
CONECT  112   52                                                      
CONECT  113   52                                                      
CONECT  114   53                                                      
CONECT  115   53                                                      
CONECT  116   54                                                      
CONECT  117   54                                                      
MASTER        0    0    0    0    0    0    0    0  117    0  117    0
END
