COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.427   1.218  -2.785  1.00  0.00           C  
HETATM    2  O   UNL     1       2.361   0.654  -2.857  1.00  0.00           O  
HETATM    3  OXT UNL     1       3.476   2.559  -2.750  1.00  0.00           O  
HETATM    4  CA  UNL     1       4.689   0.424  -2.728  1.00  0.00           C  
HETATM    5  N   UNL     1       4.372  -1.079  -2.589  1.00  0.00           N  
HETATM    6  C   UNL     1       5.571   0.894  -1.697  1.00  0.00           C  
HETATM    7  C   UNL     1       4.853   1.217  -0.397  1.00  0.00           C  
HETATM    8  O   UNL     1       4.629   0.343   0.419  1.00  0.00           O  
HETATM    9  C   UNL     1       6.718  -0.115  -1.438  1.00  0.00           C  
HETATM   10  N   UNL     1       4.587   2.545  -0.128  1.00  0.00           N  
HETATM   11  C   UNL     1       4.022   2.824   1.219  1.00  0.00           C  
HETATM   12  C   UNL     1       2.712   2.104   1.365  1.00  0.00           C  
HETATM   13  O   UNL     1       2.305   1.472   0.404  1.00  0.00           O  
HETATM   14  C   UNL     1       3.731   4.290   1.434  1.00  0.00           C  
HETATM   15  C   UNL     1       5.041   5.079   1.405  1.00  0.00           C  
HETATM   16  C   UNL     1       2.807   4.794   0.323  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.106   1.589   1.398  1.00  0.00           C  
HETATM   18  O   UNL     1      -6.080   2.236   0.123  1.00  0.00           O  
HETATM   19  C   UNL     1      -5.310   1.545  -0.863  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.122   1.429  -2.154  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.331   0.562  -1.912  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.517   1.132  -1.490  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.625   0.336  -1.268  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.547  -1.029  -1.468  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.361  -1.599  -1.891  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.254  -0.803  -2.117  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.021   2.320  -1.138  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.367   3.728  -1.629  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.211   2.415   0.129  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.045   1.785   0.221  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.559   0.929  -0.920  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.228   1.923   1.436  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.062   1.293   1.528  1.00  0.00           C  
HETATM   34  C   UNL     1       0.791   1.436   2.798  1.00  0.00           C  
HETATM   35  N   UNL     1       2.013   2.085   2.583  1.00  0.00           N  
HETATM   36  C   UNL     1       1.087   0.013   3.501  1.00  0.00           C  
HETATM   37  C   UNL     1       2.474  -0.413   3.080  1.00  0.00           C  
HETATM   38  C   UNL     1       0.044  -0.970   3.191  1.00  0.00           C  
HETATM   39  O   UNL     1      -1.178  -0.674   3.187  1.00  0.00           O  
HETATM   40  N   UNL     1       0.379  -2.288   3.037  1.00  0.00           N  
HETATM   41  CA  UNL     1      -0.585  -3.220   2.306  1.00  0.00           C  
HETATM   42  C   UNL     1      -1.752  -3.401   3.077  1.00  0.00           C  
HETATM   43  O   UNL     1      -2.035  -2.605   3.940  1.00  0.00           O  
HETATM   44  C   UNL     1      -0.840  -2.586   0.962  1.00  0.00           C  
HETATM   45  C   UNL     1      -0.186  -3.486  -0.102  1.00  0.00           C  
HETATM   46  C   UNL     1       1.297  -3.017  -0.368  1.00  0.00           C  
HETATM   47  O   UNL     1       1.653  -2.136   0.355  1.00  0.00           O  
HETATM   48  OXT UNL     1      -2.547  -4.459   2.852  1.00  0.00           O  
HETATM   49  N   UNL     1       1.992  -3.598  -1.363  1.00  0.00           N  
HETATM   50  C   UNL     1       1.569  -4.904  -1.867  1.00  0.00           C  
HETATM   51  C   UNL     1       3.125  -3.037  -1.773  1.00  0.00           C  
HETATM   52  C   UNL     1       3.355  -1.516  -1.834  1.00  0.00           C  
HETATM   53  O   UNL     1       2.740  -0.797  -1.135  1.00  0.00           O  
HETATM   54  C   UNL     1       4.141  -3.843  -2.330  1.00  0.00           C  
HETATM   55  C   UNL     1       4.017  -5.345  -2.292  1.00  0.00           C  
HETATM   56  HXT UNL     1       2.632   3.030  -2.785  1.00  0.00           H  
HETATM   57  HA  UNL     1       5.154   0.567  -3.744  1.00  0.00           H  
HETATM   58  H   UNL     1       4.926  -1.702  -3.121  1.00  0.00           H  
HETATM   59  H   UNL     1       6.069   1.858  -2.077  1.00  0.00           H  
HETATM   60  H   UNL     1       7.295  -0.252  -2.352  1.00  0.00           H  
HETATM   61  H   UNL     1       7.369   0.269  -0.652  1.00  0.00           H  
HETATM   62  H   UNL     1       6.298  -1.071  -1.126  1.00  0.00           H  
HETATM   63  H   UNL     1       4.763   3.284  -0.696  1.00  0.00           H  
HETATM   64  H   UNL     1       4.660   2.441   2.058  1.00  0.00           H  
HETATM   65  H   UNL     1       3.246   4.427   2.400  1.00  0.00           H  
HETATM   66  H   UNL     1       5.480   5.018   0.409  1.00  0.00           H  
HETATM   67  H   UNL     1       4.842   6.122   1.651  1.00  0.00           H  
HETATM   68  H   UNL     1       5.734   4.660   2.134  1.00  0.00           H  
HETATM   69  H   UNL     1       1.873   4.232   0.344  1.00  0.00           H  
HETATM   70  H   UNL     1       2.597   5.852   0.478  1.00  0.00           H  
HETATM   71  H   UNL     1       3.292   4.657  -0.643  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.085   1.417   1.739  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.626   2.224   2.116  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.627   0.636   1.311  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.064   0.548  -0.498  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.444   2.421  -2.471  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.504   0.982  -2.933  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.578   2.199  -1.334  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.552   0.781  -0.938  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.413  -1.651  -1.294  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.300  -2.666  -2.047  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.328  -1.248  -2.451  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.441   1.802  -1.902  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.947   4.246  -0.865  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.448   4.280  -1.826  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.953   3.659  -2.546  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.578   2.996   0.962  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.031   1.551  -1.643  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.883   0.163  -0.538  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.411   0.452  -1.406  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.576   2.536   2.254  1.00  0.00           H  
HETATM   92  H   UNL     1       0.286   0.679   0.711  1.00  0.00           H  
HETATM   93  H   UNL     1       0.203   1.974   3.533  1.00  0.00           H  
HETATM   94  H   UNL     1       2.431   2.612   3.293  1.00  0.00           H  
HETATM   95  H   UNL     1       1.070   0.263   4.526  1.00  0.00           H  
HETATM   96  H   UNL     1       3.198   0.333   3.407  1.00  0.00           H  
HETATM   97  H   UNL     1       2.712  -1.374   3.536  1.00  0.00           H  
HETATM   98  H   UNL     1       2.512  -0.506   1.995  1.00  0.00           H  
HETATM   99  H   UNL     1       1.135  -2.639   3.421  1.00  0.00           H  
HETATM  100  HA  UNL     1       0.003  -4.127   2.210  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.914  -2.624   0.712  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.446  -1.586   0.825  1.00  0.00           H  
HETATM  103  H   UNL     1      -0.147  -4.491   0.171  1.00  0.00           H  
HETATM  104  H   UNL     1      -0.691  -3.379  -1.036  1.00  0.00           H  
HETATM  105  HXT UNL     1      -3.336  -4.540   3.406  1.00  0.00           H  
HETATM  106  H   UNL     1       0.493  -5.012  -1.736  1.00  0.00           H  
HETATM  107  H   UNL     1       1.817  -4.983  -2.925  1.00  0.00           H  
HETATM  108  H   UNL     1       2.083  -5.690  -1.314  1.00  0.00           H  
HETATM  109  H   UNL     1       5.007  -3.384  -2.783  1.00  0.00           H  
HETATM  110  H   UNL     1       4.932  -5.795  -2.678  1.00  0.00           H  
HETATM  111  H   UNL     1       3.857  -5.670  -1.265  1.00  0.00           H  
HETATM  112  H   UNL     1       3.172  -5.655  -2.908  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   56                                                 
CONECT    4    1    5    6   57                                       
CONECT    5    4   58   52                                            
CONECT    6    4    7    9   59                                       
CONECT    7    6    8    8   10                                       
CONECT    8    7    7                                                 
CONECT    9    6   60   61   62                                       
CONECT   10   11   63    7                                            
CONECT   11   10   12   14   64                                       
CONECT   12   11   13   13   35                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   16   65                                       
CONECT   15   14   66   67   68                                       
CONECT   16   14   69   70   71                                       
CONECT   17   18   72   73   74                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   27   75                                       
CONECT   20   19   21   76   77                                       
CONECT   21   20   22   22   26                                       
CONECT   22   21   21   23   78                                       
CONECT   23   22   24   24   79                                       
CONECT   24   23   23   25   80                                       
CONECT   25   24   26   26   81                                       
CONECT   26   25   25   21   82                                       
CONECT   27   19   28   29   83                                       
CONECT   28   27   84   85   86                                       
CONECT   29   27   30   30   87                                       
CONECT   30   29   29   31   32                                       
CONECT   31   30   88   89   90                                       
CONECT   32   30   33   33   91                                       
CONECT   33   32   32   34   92                                       
CONECT   34   33   35   36   93                                       
CONECT   35   34   94   12                                            
CONECT   36   34   37   38   95                                       
CONECT   37   36   96   97   98                                       
CONECT   38   36   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   41   99   38                                            
CONECT   41   40   42   44  100                                       
CONECT   42   41   43   43   48                                       
CONECT   43   42   42                                                 
CONECT   44   41   45  101  102                                       
CONECT   45   44   46  103  104                                       
CONECT   46   45   47   47   49                                       
CONECT   47   46   46                                                 
CONECT   48   42  105                                                 
CONECT   49   50   51   46                                            
CONECT   50   49  106  107  108                                       
CONECT   51   49   52   54   54                                       
CONECT   52   51   53   53    5                                       
CONECT   53   52   52                                                 
CONECT   54   51   51   55  109                                       
CONECT   55   54  110  111  112                                       
CONECT   56    3                                                      
CONECT   57    4                                                      
CONECT   58    5                                                      
CONECT   59    6                                                      
CONECT   60    9                                                      
CONECT   61    9                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   15                                                      
CONECT   68   15                                                      
CONECT   69   16                                                      
CONECT   70   16                                                      
CONECT   71   16                                                      
CONECT   72   17                                                      
CONECT   73   17                                                      
CONECT   74   17                                                      
CONECT   75   19                                                      
CONECT   76   20                                                      
CONECT   77   20                                                      
CONECT   78   22                                                      
CONECT   79   23                                                      
CONECT   80   24                                                      
CONECT   81   25                                                      
CONECT   82   26                                                      
CONECT   83   27                                                      
CONECT   84   28                                                      
CONECT   85   28                                                      
CONECT   86   28                                                      
CONECT   87   29                                                      
CONECT   88   31                                                      
CONECT   89   31                                                      
CONECT   90   31                                                      
CONECT   91   32                                                      
CONECT   92   33                                                      
CONECT   93   34                                                      
CONECT   94   35                                                      
CONECT   95   36                                                      
CONECT   96   37                                                      
CONECT   97   37                                                      
CONECT   98   37                                                      
CONECT   99   40                                                      
CONECT  100   41                                                      
CONECT  101   44                                                      
CONECT  102   44                                                      
CONECT  103   45                                                      
CONECT  104   45                                                      
CONECT  105   48                                                      
CONECT  106   50                                                      
CONECT  107   50                                                      
CONECT  108   50                                                      
CONECT  109   54                                                      
CONECT  110   55                                                      
CONECT  111   55                                                      
CONECT  112   55                                                      
MASTER        0    0    0    0    0    0    0    0  112    0  112    0
END
