COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.620  -1.185   0.061  1.00  0.00           C  
HETATM    2  N   UNL     1       6.439  -1.480   0.555  1.00  0.00           N1+
HETATM    3  C   UNL     1       6.192  -2.617   1.189  1.00  0.00           C  
HETATM    4  C   UNL     1       7.156  -3.563   1.371  1.00  0.00           C  
HETATM    5  C   UNL     1       9.496  -4.239   1.014  1.00  0.00           C  
HETATM    6  C   UNL     1      10.730  -3.972   0.518  1.00  0.00           C  
HETATM    7  N   UNL     1      12.173  -2.295  -0.736  1.00  0.00           N  
HETATM    8  C   UNL     1      12.780  -0.160  -1.969  1.00  0.00           C  
HETATM    9  C   UNL     1      12.285   1.045  -2.417  1.00  0.00           C  
HETATM   10  C   UNL     1      10.119   0.526  -1.515  1.00  0.00           C  
HETATM   11  C   UNL     1       8.446  -3.318   0.869  1.00  0.00           C  
HETATM   12  C   UNL     1      11.013  -2.776  -0.156  1.00  0.00           C  
HETATM   13  C   UNL     1      11.952  -1.046  -1.287  1.00  0.00           C  
HETATM   14  C   UNL     1      10.609  -0.699  -1.062  1.00  0.00           C  
HETATM   15  C   UNL     1      10.008  -1.822  -0.330  1.00  0.00           C  
HETATM   16  C   UNL     1       8.678  -2.091   0.195  1.00  0.00           C  
HETATM   17  C   UNL     1       5.350  -0.513   0.398  1.00  0.00           C  
HETATM   18  C   UNL     1      10.955   1.389  -2.195  1.00  0.00           C  
HETATM   19  O   UNL     1      10.480   2.582  -2.644  1.00  0.00           O  
HETATM   20  C   UNL     1      11.568   3.243  -3.292  1.00  0.00           C  
HETATM   21  C   UNL     1       5.340   0.442   1.594  1.00  0.00           C  
HETATM   22  N   UNL     1       4.335   1.491   1.375  1.00  0.00           N  
HETATM   23  C   UNL     1       4.311   2.312   2.591  1.00  0.00           C  
HETATM   24  C   UNL     1       3.277   3.429   2.440  1.00  0.00           C  
HETATM   25  C   UNL     1       1.889   2.808   2.251  1.00  0.00           C  
HETATM   26  C   UNL     1       1.931   1.851   1.056  1.00  0.00           C  
HETATM   27  C   UNL     1       3.036   0.816   1.278  1.00  0.00           C  
HETATM   28  C   UNL     1       0.865   3.914   1.987  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.537   3.305   1.922  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.486   0.462  -1.147  1.00  0.00           C  
HETATM   31  N   UNL     1      -8.294   1.706  -1.523  1.00  0.00           N1+
HETATM   32  C   UNL     1      -9.270   2.469  -1.994  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.547   2.011  -2.115  1.00  0.00           C  
HETATM   34  C   UNL     1     -12.118   0.140  -1.820  1.00  0.00           C  
HETATM   35  C   UNL     1     -12.359  -1.139  -1.438  1.00  0.00           C  
HETATM   36  N   UNL     1     -11.352  -3.274  -0.493  1.00  0.00           N  
HETATM   37  C   UNL     1      -9.581  -4.843   0.426  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.246  -4.945   0.751  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.872  -2.674   0.060  1.00  0.00           C  
HETATM   40  C   UNL     1     -10.830   0.690  -1.727  1.00  0.00           C  
HETATM   41  C   UNL     1     -11.343  -1.964  -0.936  1.00  0.00           C  
HETATM   42  C   UNL     1     -10.085  -3.653  -0.089  1.00  0.00           C  
HETATM   43  C   UNL     1      -9.222  -2.560  -0.272  1.00  0.00           C  
HETATM   44  C   UNL     1     -10.041  -1.472  -0.821  1.00  0.00           C  
HETATM   45  C   UNL     1      -9.764  -0.102  -1.227  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.946   2.271  -1.422  1.00  0.00           C  
HETATM   47  C   UNL     1      -7.389  -3.864   0.570  1.00  0.00           C  
HETATM   48  O   UNL     1      -6.074  -3.979   0.895  1.00  0.00           O  
HETATM   49  C   UNL     1      -5.885  -5.307   1.388  1.00  0.00           C  
HETATM   50  C   UNL     1      -6.767   2.922  -0.049  1.00  0.00           C  
HETATM   51  N   UNL     1      -5.416   3.489   0.052  1.00  0.00           N  
HETATM   52  C   UNL     1      -5.388   4.299   1.274  1.00  0.00           C  
HETATM   53  C   UNL     1      -4.002   4.920   1.452  1.00  0.00           C  
HETATM   54  C   UNL     1      -2.963   3.802   1.593  1.00  0.00           C  
HETATM   55  C   UNL     1      -3.065   2.875   0.378  1.00  0.00           C  
HETATM   56  C   UNL     1      -4.500   2.361   0.255  1.00  0.00           C  
HETATM   57  C   UNL     1      -1.561   4.411   1.657  1.00  0.00           C  
HETATM   58  H   UNL     1       7.774  -0.245  -0.448  1.00  0.00           H  
HETATM   59  H   UNL     1       5.199  -2.800   1.572  1.00  0.00           H  
HETATM   60  H   UNL     1       6.934  -4.484   1.890  1.00  0.00           H  
HETATM   61  H   UNL     1       9.318  -5.173   1.527  1.00  0.00           H  
HETATM   62  H   UNL     1      11.516  -4.701   0.646  1.00  0.00           H  
HETATM   63  H   UNL     1      13.020  -2.766  -0.753  1.00  0.00           H  
HETATM   64  H   UNL     1      13.814  -0.418  -2.147  1.00  0.00           H  
HETATM   65  H   UNL     1      12.934   1.727  -2.946  1.00  0.00           H  
HETATM   66  H   UNL     1       9.088   0.796  -1.337  1.00  0.00           H  
HETATM   67  H   UNL     1       5.499   0.057  -0.519  1.00  0.00           H  
HETATM   68  H   UNL     1       4.398  -1.041   0.347  1.00  0.00           H  
HETATM   69  H   UNL     1      11.233   4.209  -3.670  1.00  0.00           H  
HETATM   70  H   UNL     1      12.378   3.394  -2.578  1.00  0.00           H  
HETATM   71  H   UNL     1      11.923   2.632  -4.121  1.00  0.00           H  
HETATM   72  H   UNL     1       5.095  -0.113   2.500  1.00  0.00           H  
HETATM   73  H   UNL     1       6.324   0.898   1.703  1.00  0.00           H  
HETATM   74  H   UNL     1       4.049   1.687   3.445  1.00  0.00           H  
HETATM   75  H   UNL     1       5.296   2.749   2.752  1.00  0.00           H  
HETATM   76  H   UNL     1       3.279   4.050   3.336  1.00  0.00           H  
HETATM   77  H   UNL     1       3.524   4.039   1.572  1.00  0.00           H  
HETATM   78  H   UNL     1       1.609   2.259   3.150  1.00  0.00           H  
HETATM   79  H   UNL     1       0.971   1.344   0.961  1.00  0.00           H  
HETATM   80  H   UNL     1       2.138   2.414   0.146  1.00  0.00           H  
HETATM   81  H   UNL     1       3.052   0.118   0.442  1.00  0.00           H  
HETATM   82  H   UNL     1       2.841   0.271   2.202  1.00  0.00           H  
HETATM   83  H   UNL     1       0.906   4.647   2.792  1.00  0.00           H  
HETATM   84  H   UNL     1       1.094   4.401   1.039  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.578   2.571   1.117  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.766   2.818   2.870  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.659  -0.124  -0.773  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.046   3.484  -2.291  1.00  0.00           H  
HETATM   89  H   UNL     1     -11.327   2.650  -2.501  1.00  0.00           H  
HETATM   90  H   UNL     1     -12.929   0.744  -2.201  1.00  0.00           H  
HETATM   91  H   UNL     1     -13.362  -1.532  -1.522  1.00  0.00           H  
HETATM   92  H   UNL     1     -12.136  -3.845  -0.469  1.00  0.00           H  
HETATM   93  H   UNL     1     -10.237  -5.689   0.571  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.861  -5.872   1.151  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.206  -1.835  -0.081  1.00  0.00           H  
HETATM   96  H   UNL     1      -6.807   3.020  -2.201  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.210   1.477  -1.546  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.515  -5.463   2.263  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.156  -6.024   0.613  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.839  -5.447   1.663  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.906   2.173   0.730  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.504   3.716   0.075  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.616   3.668   2.133  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.133   5.091   1.200  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.993   5.540   2.349  1.00  0.00           H  
HETATM  106  H   UNL     1      -3.762   5.532   0.583  1.00  0.00           H  
HETATM  107  H   UNL     1      -3.158   3.236   2.503  1.00  0.00           H  
HETATM  108  H   UNL     1      -2.797   3.425  -0.524  1.00  0.00           H  
HETATM  109  H   UNL     1      -2.386   2.032   0.506  1.00  0.00           H  
HETATM  110  H   UNL     1      -4.775   1.831   1.168  1.00  0.00           H  
HETATM  111  H   UNL     1      -4.570   1.679  -0.593  1.00  0.00           H  
HETATM  112  H   UNL     1      -1.520   5.144   2.462  1.00  0.00           H  
HETATM  113  H   UNL     1      -1.333   4.898   0.709  1.00  0.00           H  
CONECT    1    2    2   16   58                                       
CONECT    2    1    1    3   17                                       
CONECT    3    2    4    4   59                                       
CONECT    4    3    3   11   60                                       
CONECT    5    6    6   11   61                                       
CONECT    6    5    5   12   62                                       
CONECT    7   12   13   63                                            
CONECT    8    9    9   13   64                                       
CONECT    9    8    8   18   65                                       
CONECT   10   14   18   18   66                                       
CONECT   11    4    5   16   16                                       
CONECT   12    6    7   15   15                                       
CONECT   13    7    8   14   14                                       
CONECT   14   10   13   13   15                                       
CONECT   15   12   12   14   16                                       
CONECT   16    1   11   11   15                                       
CONECT   17    2   21   67   68                                       
CONECT   18    9   10   10   19                                       
CONECT   19   18   20                                                 
CONECT   20   19   69   70   71                                       
CONECT   21   17   22   72   73                                       
CONECT   22   21   23   27                                            
CONECT   23   22   24   74   75                                       
CONECT   24   23   25   76   77                                       
CONECT   25   24   26   28   78                                       
CONECT   26   25   27   79   80                                       
CONECT   27   22   26   81   82                                       
CONECT   28   25   29   83   84                                       
CONECT   29   28   57   85   86                                       
CONECT   30   31   31   45   87                                       
CONECT   31   30   30   32   46                                       
CONECT   32   31   33   33   88                                       
CONECT   33   32   32   40   89                                       
CONECT   34   35   35   40   90                                       
CONECT   35   34   34   41   91                                       
CONECT   36   41   42   92                                            
CONECT   37   38   38   42   93                                       
CONECT   38   37   37   47   94                                       
CONECT   39   43   47   47   95                                       
CONECT   40   33   34   45   45                                       
CONECT   41   35   36   44   44                                       
CONECT   42   36   37   43   43                                       
CONECT   43   39   42   42   44                                       
CONECT   44   41   41   43   45                                       
CONECT   45   30   40   40   44                                       
CONECT   46   31   50   96   97                                       
CONECT   47   38   39   39   48                                       
CONECT   48   47   49                                                 
CONECT   49   48   98   99  100                                       
CONECT   50   46   51  101  102                                       
CONECT   51   50   52   56                                            
CONECT   52   51   53  103  104                                       
CONECT   53   52   54  105  106                                       
CONECT   54   53   55   57  107                                       
CONECT   55   54   56  108  109                                       
CONECT   56   51   55  110  111                                       
CONECT   57   29   54  112  113                                       
CONECT   58    1                                                      
CONECT   59    3                                                      
CONECT   60    4                                                      
CONECT   61    5                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    8                                                      
CONECT   65    9                                                      
CONECT   66   10                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   23                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   28                                                      
CONECT   85   29                                                      
CONECT   86   29                                                      
CONECT   87   30                                                      
CONECT   88   32                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   35                                                      
CONECT   92   36                                                      
CONECT   93   37                                                      
CONECT   94   38                                                      
CONECT   95   39                                                      
CONECT   96   46                                                      
CONECT   97   46                                                      
CONECT   98   49                                                      
CONECT   99   49                                                      
CONECT  100   49                                                      
CONECT  101   50                                                      
CONECT  102   50                                                      
CONECT  103   52                                                      
CONECT  104   52                                                      
CONECT  105   53                                                      
CONECT  106   53                                                      
CONECT  107   54                                                      
CONECT  108   55                                                      
CONECT  109   55                                                      
CONECT  110   56                                                      
CONECT  111   56                                                      
CONECT  112   57                                                      
CONECT  113   57                                                      
MASTER        0    0    0    0    0    0    0    0  113    0  113    0
END
