COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.807   1.720   0.287  1.00  0.00           N  
HETATM    2  C   UNL     1       2.769   0.257   0.410  1.00  0.00           C  
HETATM    3  C   UNL     1       1.768  -0.303  -0.567  1.00  0.00           C  
HETATM    4  O   UNL     1       0.924   0.419  -1.054  1.00  0.00           O  
HETATM    5  C   UNL     1       4.154  -0.317   0.107  1.00  0.00           C  
HETATM    6  C   UNL     1       5.183   0.307   1.052  1.00  0.00           C  
HETATM    7  C   UNL     1       6.547  -0.258   0.753  1.00  0.00           C  
HETATM    8  C   UNL     1       7.365   0.362  -0.173  1.00  0.00           C  
HETATM    9  C   UNL     1       6.984  -1.394   1.409  1.00  0.00           C  
HETATM   10  C   UNL     1       8.616  -0.156  -0.447  1.00  0.00           C  
HETATM   11  C   UNL     1       8.236  -1.913   1.135  1.00  0.00           C  
HETATM   12  C   UNL     1       9.051  -1.295   0.205  1.00  0.00           C  
HETATM   13  N   UNL     1       1.812  -1.611  -0.899  1.00  0.00           N  
HETATM   14  C   UNL     1       0.907  -2.276  -1.837  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.522  -1.957  -1.476  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.941  -2.174  -0.358  1.00  0.00           O  
HETATM   17  C   UNL     1       1.142  -3.785  -1.736  1.00  0.00           C  
HETATM   18  C   UNL     1       2.209  -3.985  -0.649  1.00  0.00           C  
HETATM   19  C   UNL     1       2.773  -2.583  -0.382  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.336  -1.419  -2.434  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.725  -1.149  -1.992  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.935   0.343  -1.953  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.047   1.087  -2.292  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.944  -1.736  -0.596  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.437  -1.718  -0.264  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.646  -2.197   1.174  1.00  0.00           C  
HETATM   27  N   UNL     1      -6.075  -2.180   1.492  1.00  0.00           N  
HETATM   28  C   UNL     1      -6.505  -2.571   2.731  1.00  0.00           C  
HETATM   29  N   UNL     1      -5.623  -2.967   3.647  1.00  0.00           N  
HETATM   30  N   UNL     1      -7.805  -2.555   3.020  1.00  0.00           N1+
HETATM   31  C   UNL     1      -4.254   0.905  -1.489  1.00  0.00           C  
HETATM   32  O   UNL     1      -5.319   0.272  -2.201  1.00  0.00           O  
HETATM   33  N   UNL     1      -4.286   2.352  -1.744  1.00  0.00           N  
HETATM   34  C   UNL     1      -4.224   3.109  -0.487  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.378   4.368  -0.692  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.603   4.675   0.591  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.237   5.265   0.232  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.192   4.779   1.238  1.00  0.00           C  
HETATM   39  C   UNL     1       0.813   3.868   0.530  1.00  0.00           C  
HETATM   40  C   UNL     1       2.113   3.822   1.335  1.00  0.00           C  
HETATM   41  C   UNL     1       2.513   2.365   1.574  1.00  0.00           C  
HETATM   42  O   UNL     1       1.439   1.675   2.217  1.00  0.00           O  
HETATM   43  H   UNL     1       3.695   2.029  -0.078  1.00  0.00           H  
HETATM   44  H   UNL     1       2.477  -0.014   1.425  1.00  0.00           H  
HETATM   45  H   UNL     1       4.139  -1.398   0.248  1.00  0.00           H  
HETATM   46  H   UNL     1       4.424  -0.089  -0.925  1.00  0.00           H  
HETATM   47  H   UNL     1       5.198   1.388   0.911  1.00  0.00           H  
HETATM   48  H   UNL     1       4.913   0.079   2.083  1.00  0.00           H  
HETATM   49  H   UNL     1       7.025   1.252  -0.682  1.00  0.00           H  
HETATM   50  H   UNL     1       6.347  -1.877   2.136  1.00  0.00           H  
HETATM   51  H   UNL     1       9.255   0.329  -1.171  1.00  0.00           H  
HETATM   52  H   UNL     1       8.577  -2.800   1.647  1.00  0.00           H  
HETATM   53  H   UNL     1      10.029  -1.700  -0.009  1.00  0.00           H  
HETATM   54  H   UNL     1       1.112  -1.935  -2.853  1.00  0.00           H  
HETATM   55  H   UNL     1       0.218  -4.290  -1.452  1.00  0.00           H  
HETATM   56  H   UNL     1       1.501  -4.173  -2.689  1.00  0.00           H  
HETATM   57  H   UNL     1       1.755  -4.389   0.256  1.00  0.00           H  
HETATM   58  H   UNL     1       2.996  -4.648  -1.009  1.00  0.00           H  
HETATM   59  H   UNL     1       3.729  -2.466  -0.892  1.00  0.00           H  
HETATM   60  H   UNL     1       2.907  -2.437   0.690  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.028  -1.228  -3.333  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.427  -1.599  -2.695  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.579  -2.763  -0.573  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.401  -1.140   0.137  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.820  -0.703  -0.367  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.970  -2.379  -0.948  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.262  -3.213   1.277  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.113  -1.537   1.858  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.717  -1.892   0.825  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.677  -2.979   3.437  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.928  -3.244   4.526  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.447  -2.267   2.353  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.110  -2.832   3.899  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.372   0.722  -0.421  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.199   0.586  -1.953  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.543   2.625  -2.369  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.232   3.394  -0.184  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.773   2.490   0.288  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.677   4.205  -1.510  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.030   5.208  -0.933  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.163   5.393   1.190  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.464   3.756   1.160  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.955   4.943  -0.770  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.292   6.353   0.262  1.00  0.00           H  
HETATM   85  H   UNL     1       0.330   5.636   1.662  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.686   4.224   2.036  1.00  0.00           H  
HETATM   87  H   UNL     1       0.399   2.863   0.450  1.00  0.00           H  
HETATM   88  H   UNL     1       1.016   4.258  -0.467  1.00  0.00           H  
HETATM   89  H   UNL     1       2.902   4.329   0.780  1.00  0.00           H  
HETATM   90  H   UNL     1       1.966   4.320   2.293  1.00  0.00           H  
HETATM   91  H   UNL     1       3.398   2.330   2.208  1.00  0.00           H  
HETATM   92  H   UNL     1       1.241   1.998   3.107  1.00  0.00           H  
CONECT    1    2   43   41                                            
CONECT    2    1    3    5   44                                       
CONECT    3    2    4    4   13                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   45   46                                       
CONECT    6    5    7   47   48                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7   10   49                                       
CONECT    9    7   11   11   50                                       
CONECT   10    8   12   12   51                                       
CONECT   11    9    9   12   52                                       
CONECT   12   10   10   11   53                                       
CONECT   13   14   19    3                                            
CONECT   14   13   15   17   54                                       
CONECT   15   14   16   16   20                                       
CONECT   16   15   15                                                 
CONECT   17   14   18   55   56                                       
CONECT   18   17   19   57   58                                       
CONECT   19   13   18   59   60                                       
CONECT   20   21   61   15                                            
CONECT   21   20   22   24   62                                       
CONECT   22   21   23   23   31                                       
CONECT   23   22   22                                                 
CONECT   24   21   25   63   64                                       
CONECT   25   24   26   65   66                                       
CONECT   26   25   27   67   68                                       
CONECT   27   26   28   69                                            
CONECT   28   27   29   30   30                                       
CONECT   29   28   70   71                                            
CONECT   30   28   28   72   73                                       
CONECT   31   33   32   74   22                                       
CONECT   32   31   75                                                 
CONECT   33   31   34   76                                            
CONECT   34   33   35   77   78                                       
CONECT   35   34   36   79   80                                       
CONECT   36   35   37   81   82                                       
CONECT   37   36   38   83   84                                       
CONECT   38   37   39   85   86                                       
CONECT   39   38   40   87   88                                       
CONECT   40   39   41   89   90                                       
CONECT   41   40   42   91    1                                       
CONECT   42   41   92                                                 
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    5                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   14                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   39                                                      
CONECT   89   40                                                      
CONECT   90   40                                                      
CONECT   91   41                                                      
CONECT   92   42                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
