COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.931  12.537   0.319  1.00  0.00           C  
HETATM    2  N   UNL     1       6.042  -5.444  -0.164  1.00  0.00           N  
HETATM    3  O   UNL     1       9.650  -5.751   0.581  1.00  0.00           O  
HETATM    4  C   UNL     1      11.869  11.184   1.030  1.00  0.00           C  
HETATM    5  O   UNL     1       7.195  -8.036   0.372  1.00  0.00           O  
HETATM    6  C   UNL     1      11.554  10.087   0.012  1.00  0.00           C  
HETATM    7  C   UNL     1      11.493   8.733   0.724  1.00  0.00           C  
HETATM    8  C   UNL     1      11.178   7.636  -0.294  1.00  0.00           C  
HETATM    9  C   UNL     1      11.116   6.283   0.418  1.00  0.00           C  
HETATM   10  C   UNL     1      10.801   5.185  -0.600  1.00  0.00           C  
HETATM   11  C   UNL     1      10.740   3.832   0.112  1.00  0.00           C  
HETATM   12  C   UNL     1      10.425   2.734  -0.906  1.00  0.00           C  
HETATM   13  C   UNL     1      10.363   1.381  -0.194  1.00  0.00           C  
HETATM   14  C   UNL     1      10.048   0.283  -1.212  1.00  0.00           C  
HETATM   15  C   UNL     1       9.987  -1.070  -0.500  1.00  0.00           C  
HETATM   16  C   UNL     1       9.672  -2.168  -1.518  1.00  0.00           C  
HETATM   17  C   UNL     1       9.611  -3.501  -0.817  1.00  0.00           C  
HETATM   18  C   UNL     1       8.543  -4.251  -0.928  1.00  0.00           C  
HETATM   19  C   UNL     1       8.483  -5.584  -0.227  1.00  0.00           C  
HETATM   20  CA  UNL     1       7.237  -5.637   0.660  1.00  0.00           C  
HETATM   21  C   UNL     1       7.163  -6.999   1.354  1.00  0.00           C  
HETATM   22  O   UNL     1       4.887  -4.678   1.568  1.00  0.00           O  
HETATM   23  C   UNL     1       4.913  -4.956   0.388  1.00  0.00           C  
HETATM   24  C   UNL     1       3.684  -4.758  -0.460  1.00  0.00           C  
HETATM   25  C   UNL     1       2.553  -4.198   0.405  1.00  0.00           C  
HETATM   26  C   UNL     1       1.304  -3.996  -0.456  1.00  0.00           C  
HETATM   27  C   UNL     1       0.173  -3.436   0.408  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.075  -3.234  -0.453  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.206  -2.674   0.412  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.455  -2.472  -0.449  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.586  -1.912   0.415  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.834  -1.711  -0.446  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.965  -1.151   0.419  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.214  -0.949  -0.442  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.345  -0.389   0.422  1.00  0.00           C  
HETATM   36  C   UNL     1     -10.593  -0.187  -0.439  1.00  0.00           C  
HETATM   37  C   UNL     1     -11.724   0.373   0.426  1.00  0.00           C  
HETATM   38  C   UNL     1     -12.973   0.575  -0.435  1.00  0.00           C  
HETATM   39  C   UNL     1     -14.104   1.135   0.430  1.00  0.00           C  
HETATM   40  C   UNL     1     -15.352   1.337  -0.432  1.00  0.00           C  
HETATM   41  C   UNL     1     -16.483   1.896   0.433  1.00  0.00           C  
HETATM   42  C   UNL     1     -17.732   2.098  -0.428  1.00  0.00           C  
HETATM   43  C   UNL     1     -18.863   2.658   0.437  1.00  0.00           C  
HETATM   44  C   UNL     1     -20.111   2.860  -0.425  1.00  0.00           C  
HETATM   45  C   UNL     1     -21.243   3.420   0.440  1.00  0.00           C  
HETATM   46  C   UNL     1     -22.491   3.622  -0.421  1.00  0.00           C  
HETATM   47  H   UNL     1      10.970  12.744  -0.153  1.00  0.00           H  
HETATM   48  H   UNL     1      12.155  13.320   1.044  1.00  0.00           H  
HETATM   49  H   UNL     1      12.711  12.513  -0.442  1.00  0.00           H  
HETATM   50  H   UNL     1       6.062  -5.667  -1.108  1.00  0.00           H  
HETATM   51  H   UNL     1       9.713  -5.124   1.315  1.00  0.00           H  
HETATM   52  H   UNL     1      12.830  10.978   1.502  1.00  0.00           H  
HETATM   53  H   UNL     1      11.089  11.209   1.791  1.00  0.00           H  
HETATM   54  H   UNL     1      10.593  10.293  -0.459  1.00  0.00           H  
HETATM   55  H   UNL     1      12.334  10.062  -0.748  1.00  0.00           H  
HETATM   56  H   UNL     1      12.453   8.527   1.196  1.00  0.00           H  
HETATM   57  H   UNL     1      10.712   8.758   1.485  1.00  0.00           H  
HETATM   58  H   UNL     1      10.217   7.842  -0.765  1.00  0.00           H  
HETATM   59  H   UNL     1      11.958   7.611  -1.055  1.00  0.00           H  
HETATM   60  H   UNL     1      12.077   6.076   0.890  1.00  0.00           H  
HETATM   61  H   UNL     1      10.336   6.307   1.179  1.00  0.00           H  
HETATM   62  H   UNL     1       9.840   5.391  -1.071  1.00  0.00           H  
HETATM   63  H   UNL     1      11.581   5.160  -1.361  1.00  0.00           H  
HETATM   64  H   UNL     1      11.701   3.625   0.583  1.00  0.00           H  
HETATM   65  H   UNL     1       9.960   3.856   0.873  1.00  0.00           H  
HETATM   66  H   UNL     1       9.464   2.940  -1.378  1.00  0.00           H  
HETATM   67  H   UNL     1      11.205   2.709  -1.667  1.00  0.00           H  
HETATM   68  H   UNL     1      11.324   1.174   0.277  1.00  0.00           H  
HETATM   69  H   UNL     1       9.583   1.406   0.567  1.00  0.00           H  
HETATM   70  H   UNL     1       9.088   0.489  -1.684  1.00  0.00           H  
HETATM   71  H   UNL     1      10.829   0.258  -1.973  1.00  0.00           H  
HETATM   72  H   UNL     1      10.948  -1.277  -0.029  1.00  0.00           H  
HETATM   73  H   UNL     1       9.207  -1.045   0.260  1.00  0.00           H  
HETATM   74  H   UNL     1       8.711  -1.962  -1.990  1.00  0.00           H  
HETATM   75  H   UNL     1      10.452  -2.193  -2.279  1.00  0.00           H  
HETATM   76  H   UNL     1      10.449  -3.837  -0.224  1.00  0.00           H  
HETATM   77  H   UNL     1       7.706  -3.915  -1.521  1.00  0.00           H  
HETATM   78  H   UNL     1       8.436  -6.382  -0.967  1.00  0.00           H  
HETATM   79  HA  UNL     1       7.292  -4.849   1.411  1.00  0.00           H  
HETATM   80  H1  UNL     1       6.237  -7.067   1.924  1.00  0.00           H  
HETATM   81  H2  UNL     1       8.013  -7.110   2.028  1.00  0.00           H  
HETATM   82  H   UNL     1       3.907  -4.057  -1.265  1.00  0.00           H  
HETATM   83  H   UNL     1       3.377  -5.713  -0.885  1.00  0.00           H  
HETATM   84  H   UNL     1       2.329  -4.898   1.209  1.00  0.00           H  
HETATM   85  H   UNL     1       2.859  -3.242   0.830  1.00  0.00           H  
HETATM   86  H   UNL     1       1.527  -3.295  -1.261  1.00  0.00           H  
HETATM   87  H   UNL     1       0.998  -4.951  -0.882  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.050  -4.137   1.213  1.00  0.00           H  
HETATM   89  H   UNL     1       0.480  -2.480   0.833  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.852  -2.533  -1.258  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.382  -4.190  -0.878  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.430  -3.375   1.216  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.900  -1.719   0.837  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.232  -1.772  -1.254  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.761  -3.428  -0.875  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.809  -2.613   1.220  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.279  -0.957   0.840  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.611  -1.010  -1.250  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.141  -2.666  -0.871  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.188  -1.851   1.223  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.659  -0.195   0.844  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.991  -0.248  -1.247  1.00  0.00           H  
HETATM  103  H   UNL     1      -8.520  -1.905  -0.868  1.00  0.00           H  
HETATM  104  H   UNL     1      -9.568  -1.090   1.227  1.00  0.00           H  
HETATM  105  H   UNL     1      -9.038   0.567   0.848  1.00  0.00           H  
HETATM  106  H   UNL     1     -10.370   0.514  -1.243  1.00  0.00           H  
HETATM  107  H   UNL     1     -10.900  -1.143  -0.864  1.00  0.00           H  
HETATM  108  H   UNL     1     -11.948  -0.328   1.230  1.00  0.00           H  
HETATM  109  H   UNL     1     -11.418   1.329   0.851  1.00  0.00           H  
HETATM  110  H   UNL     1     -12.750   1.275  -1.240  1.00  0.00           H  
HETATM  111  H   UNL     1     -13.279  -0.381  -0.860  1.00  0.00           H  
HETATM  112  H   UNL     1     -14.327   0.434   1.234  1.00  0.00           H  
HETATM  113  H   UNL     1     -13.797   2.090   0.855  1.00  0.00           H  
HETATM  114  H   UNL     1     -15.129   2.037  -1.236  1.00  0.00           H  
HETATM  115  H   UNL     1     -15.659   0.381  -0.857  1.00  0.00           H  
HETATM  116  H   UNL     1     -16.707   1.196   1.238  1.00  0.00           H  
HETATM  117  H   UNL     1     -16.177   2.852   0.858  1.00  0.00           H  
HETATM  118  H   UNL     1     -17.509   2.799  -1.233  1.00  0.00           H  
HETATM  119  H   UNL     1     -18.038   1.143  -0.853  1.00  0.00           H  
HETATM  120  H   UNL     1     -19.086   1.957   1.241  1.00  0.00           H  
HETATM  121  H   UNL     1     -18.556   3.614   0.862  1.00  0.00           H  
HETATM  122  H   UNL     1     -19.888   3.561  -1.229  1.00  0.00           H  
HETATM  123  H   UNL     1     -20.418   1.904  -0.850  1.00  0.00           H  
HETATM  124  H   UNL     1     -21.466   2.719   1.245  1.00  0.00           H  
HETATM  125  H   UNL     1     -20.936   4.376   0.865  1.00  0.00           H  
HETATM  126  H   UNL     1     -22.798   2.666  -0.846  1.00  0.00           H  
HETATM  127  H   UNL     1     -23.297   4.021   0.195  1.00  0.00           H  
HETATM  128  H   UNL     1     -22.268   4.323  -1.226  1.00  0.00           H  
HETATM  129  H   UNL     1       7.152  -8.929   0.741  1.00  0.00           H  
CONECT    1    4   47   48   49                                       
CONECT    2   20   23   50                                            
CONECT    3   19   51                                                 
CONECT    4    1    6   52   53                                       
CONECT    5   21  129                                                 
CONECT    6    4    7   54   55                                       
CONECT    7    6    8   56   57                                       
CONECT    8    7    9   58   59                                       
CONECT    9    8   10   60   61                                       
CONECT   10    9   11   62   63                                       
CONECT   11   10   12   64   65                                       
CONECT   12   11   13   66   67                                       
CONECT   13   12   14   68   69                                       
CONECT   14   13   15   70   71                                       
CONECT   15   14   16   72   73                                       
CONECT   16   15   17   74   75                                       
CONECT   17   16   18   18   76                                       
CONECT   18   17   17   19   77                                       
CONECT   19    3   18   20   78                                       
CONECT   20    2   19   21   79                                       
CONECT   21    5   20   80   81                                       
CONECT   22   23   23                                                 
CONECT   23    2   22   22   24                                       
CONECT   24   23   25   82   83                                       
CONECT   25   24   26   84   85                                       
CONECT   26   25   27   86   87                                       
CONECT   27   26   28   88   89                                       
CONECT   28   27   29   90   91                                       
CONECT   29   28   30   92   93                                       
CONECT   30   29   31   94   95                                       
CONECT   31   30   32   96   97                                       
CONECT   32   31   33   98   99                                       
CONECT   33   32   34  100  101                                       
CONECT   34   33   35  102  103                                       
CONECT   35   34   36  104  105                                       
CONECT   36   35   37  106  107                                       
CONECT   37   36   38  108  109                                       
CONECT   38   37   39  110  111                                       
CONECT   39   38   40  112  113                                       
CONECT   40   39   41  114  115                                       
CONECT   41   40   42  116  117                                       
CONECT   42   41   43  118  119                                       
CONECT   43   42   44  120  121                                       
CONECT   44   43   45  122  123                                       
CONECT   45   44   46  124  125                                       
CONECT   46   45  126  127  128                                       
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   11                                                      
CONECT   66   12                                                      
CONECT   67   12                                                      
CONECT   68   13                                                      
CONECT   69   13                                                      
CONECT   70   14                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   15                                                      
CONECT   74   16                                                      
CONECT   75   16                                                      
CONECT   76   17                                                      
CONECT   77   18                                                      
CONECT   78   19                                                      
CONECT   79   20                                                      
CONECT   80   21                                                      
CONECT   81   21                                                      
CONECT   82   24                                                      
CONECT   83   24                                                      
CONECT   84   25                                                      
CONECT   85   25                                                      
CONECT   86   26                                                      
CONECT   87   26                                                      
CONECT   88   27                                                      
CONECT   89   27                                                      
CONECT   90   28                                                      
CONECT   91   28                                                      
CONECT   92   29                                                      
CONECT   93   29                                                      
CONECT   94   30                                                      
CONECT   95   30                                                      
CONECT   96   31                                                      
CONECT   97   31                                                      
CONECT   98   32                                                      
CONECT   99   32                                                      
CONECT  100   33                                                      
CONECT  101   33                                                      
CONECT  102   34                                                      
CONECT  103   34                                                      
CONECT  104   35                                                      
CONECT  105   35                                                      
CONECT  106   36                                                      
CONECT  107   36                                                      
CONECT  108   37                                                      
CONECT  109   37                                                      
CONECT  110   38                                                      
CONECT  111   38                                                      
CONECT  112   39                                                      
CONECT  113   39                                                      
CONECT  114   40                                                      
CONECT  115   40                                                      
CONECT  116   41                                                      
CONECT  117   41                                                      
CONECT  118   42                                                      
CONECT  119   42                                                      
CONECT  120   43                                                      
CONECT  121   43                                                      
CONECT  122   44                                                      
CONECT  123   44                                                      
CONECT  124   45                                                      
CONECT  125   45                                                      
CONECT  126   46                                                      
CONECT  127   46                                                      
CONECT  128   46                                                      
CONECT  129    5                                                      
MASTER        0    0    0    0    0    0    0    0  129    0  129    0
END
