COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.372  -1.043   0.155  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.164  -1.158   0.818  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.133  -3.278  -0.670  1.00  0.00           C  
HETATM    4  N   UNL     1      -9.762   1.137  -0.837  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.008  -1.998   0.549  1.00  0.00           C  
HETATM    6  N   UNL     1     -11.267   2.744  -0.107  1.00  0.00           N  
HETATM    7  N   UNL     1      -9.976   3.218  -1.975  1.00  0.00           N  
HETATM    8  C   UNL     1      -7.922  -3.391  -0.013  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.122  -2.457   1.454  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.259  -1.608  -0.572  1.00  0.00           O  
HETATM   11  C   UNL     1      -7.439  -2.332   0.733  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.858  -2.104  -0.586  1.00  0.00           C  
HETATM   13  C   UNL     1     -10.163   0.237   0.247  1.00  0.00           C  
HETATM   14  C   UNL     1     -10.352   2.373  -0.958  1.00  0.00           C  
HETATM   15  N   UNL     1      -3.733  -2.022   0.984  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.650  -1.576   0.104  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.360  -2.235   0.521  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.347  -3.001   1.461  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.502  -0.056   0.206  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.766   0.616  -0.335  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.618   2.135  -0.233  1.00  0.00           C  
HETATM   22  N   UNL     1      -4.828   2.779  -0.750  1.00  0.00           N  
HETATM   23  C   UNL     1      -4.926   4.143  -0.760  1.00  0.00           C  
HETATM   24  N   UNL     1      -3.921   4.887  -0.300  1.00  0.00           N  
HETATM   25  N   UNL     1      -6.026   4.729  -1.231  1.00  0.00           N1+
HETATM   26  N   UNL     1      -0.221  -1.972  -0.151  1.00  0.00           N  
HETATM   27  C   UNL     1       1.032  -2.613   0.255  1.00  0.00           C  
HETATM   28  C   UNL     1       2.196  -1.760  -0.182  1.00  0.00           C  
HETATM   29  O   UNL     1       2.047  -0.931  -1.054  1.00  0.00           O  
HETATM   30  C   UNL     1       1.136  -3.991  -0.401  1.00  0.00           C  
HETATM   31  C   UNL     1       0.014  -4.891   0.122  1.00  0.00           C  
HETATM   32  C   UNL     1       1.007  -3.845  -1.919  1.00  0.00           C  
HETATM   33  N   UNL     1       3.402  -1.920   0.398  1.00  0.00           N  
HETATM   34  C   UNL     1       4.509  -1.028   0.043  1.00  0.00           C  
HETATM   35  C   UNL     1       5.819  -1.725   0.301  1.00  0.00           C  
HETATM   36  O   UNL     1       5.828  -2.857   0.738  1.00  0.00           O  
HETATM   37  C   UNL     1       4.432   0.243   0.891  1.00  0.00           C  
HETATM   38  C   UNL     1       3.160   1.016   0.539  1.00  0.00           C  
HETATM   39  C   UNL     1       3.083   2.287   1.387  1.00  0.00           C  
HETATM   40  N   UNL     1       1.865   3.027   1.049  1.00  0.00           N  
HETATM   41  C   UNL     1       1.581   4.204   1.685  1.00  0.00           C  
HETATM   42  N   UNL     1       2.413   4.678   2.612  1.00  0.00           N  
HETATM   43  N   UNL     1       0.474   4.877   1.378  1.00  0.00           N1+
HETATM   44  N   UNL     1       6.982  -1.093   0.045  1.00  0.00           N  
HETATM   45  C   UNL     1       8.256  -1.771   0.296  1.00  0.00           C  
HETATM   46  C   UNL     1       9.394  -0.854  -0.070  1.00  0.00           C  
HETATM   47  C   UNL     1       9.900  -0.863  -1.357  1.00  0.00           C  
HETATM   48  C   UNL     1      10.942  -0.025  -1.698  1.00  0.00           C  
HETATM   49  C   UNL     1      11.485   0.832  -0.741  1.00  0.00           C  
HETATM   50  C   UNL     1      12.603   1.735  -1.100  1.00  0.00           C  
HETATM   51  N   UNL     1      13.082   1.728  -2.311  1.00  0.00           N  
HETATM   52  N   UNL     1      13.138   2.580  -0.153  1.00  0.00           N  
HETATM   53  C   UNL     1      10.970   0.837   0.555  1.00  0.00           C  
HETATM   54  C   UNL     1       9.925  -0.001   0.882  1.00  0.00           C  
HETATM   55  H   UNL     1      -7.787  -0.331   1.401  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.512  -4.107  -1.249  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.081   0.861  -1.470  1.00  0.00           H  
HETATM   58  H   UNL     1     -11.684   3.616  -0.192  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.295   2.942  -2.608  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.392   4.090  -2.060  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.355  -4.308  -0.079  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.958  -3.497   1.734  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.139  -1.838   2.352  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.804  -2.016  -1.099  1.00  0.00           H  
HETATM   65  H   UNL     1     -11.226   0.014   0.160  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.970   0.715   1.207  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.532  -2.333   1.881  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.882  -1.850  -0.925  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.358   0.226   1.249  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.641   0.265  -0.380  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.910   0.334  -1.378  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.627   0.294   0.251  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.474   2.417   0.810  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.757   2.457  -0.818  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.560   2.238  -1.086  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.120   4.460   0.043  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.991   5.854  -0.307  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.095   5.696  -1.238  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.758   4.188  -1.566  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.232  -1.360  -0.902  1.00  0.00           H  
HETATM   81  H   UNL     1       1.050  -2.724   1.339  1.00  0.00           H  
HETATM   82  H   UNL     1       2.101  -4.437  -0.160  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.948  -4.501  -0.210  1.00  0.00           H  
HETATM   84  H   UNL     1       0.150  -5.902  -0.263  1.00  0.00           H  
HETATM   85  H   UNL     1       0.042  -4.910   1.211  1.00  0.00           H  
HETATM   86  H   UNL     1       1.806  -3.204  -2.291  1.00  0.00           H  
HETATM   87  H   UNL     1       1.081  -4.827  -2.386  1.00  0.00           H  
HETATM   88  H   UNL     1       0.042  -3.400  -2.160  1.00  0.00           H  
HETATM   89  H   UNL     1       3.538  -2.625   1.050  1.00  0.00           H  
HETATM   90  H   UNL     1       4.439  -0.764  -1.013  1.00  0.00           H  
HETATM   91  H   UNL     1       4.413  -0.026   1.947  1.00  0.00           H  
HETATM   92  H   UNL     1       5.304   0.867   0.692  1.00  0.00           H  
HETATM   93  H   UNL     1       3.179   1.285  -0.517  1.00  0.00           H  
HETATM   94  H   UNL     1       2.289   0.392   0.739  1.00  0.00           H  
HETATM   95  H   UNL     1       3.064   2.018   2.443  1.00  0.00           H  
HETATM   96  H   UNL     1       3.954   2.911   1.187  1.00  0.00           H  
HETATM   97  H   UNL     1       1.259   2.682   0.375  1.00  0.00           H  
HETATM   98  H   UNL     1       3.220   4.188   2.836  1.00  0.00           H  
HETATM   99  H   UNL     1       2.212   5.513   3.063  1.00  0.00           H  
HETATM  100  H   UNL     1       0.273   5.712   1.829  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.132   4.532   0.703  1.00  0.00           H  
HETATM  102  H   UNL     1       6.975  -0.188  -0.305  1.00  0.00           H  
HETATM  103  H   UNL     1       8.326  -2.034   1.351  1.00  0.00           H  
HETATM  104  H   UNL     1       8.310  -2.676  -0.309  1.00  0.00           H  
HETATM  105  H   UNL     1       9.479  -1.527  -2.097  1.00  0.00           H  
HETATM  106  H   UNL     1      11.337  -0.033  -2.703  1.00  0.00           H  
HETATM  107  H   UNL     1      13.814   2.319  -2.547  1.00  0.00           H  
HETATM  108  H   UNL     1      12.781   2.585   0.749  1.00  0.00           H  
HETATM  109  H   UNL     1      13.870   3.171  -0.388  1.00  0.00           H  
HETATM  110  H   UNL     1      11.387   1.498   1.300  1.00  0.00           H  
HETATM  111  H   UNL     1       9.522   0.005   1.884  1.00  0.00           H  
CONECT    1   12   12    2   13                                       
CONECT    2   11   11    1   55                                       
CONECT    3    8    8   12   56                                       
CONECT    4   13   14   57                                            
CONECT    5    9   10   10   15                                       
CONECT    6   14   14   58                                            
CONECT    7   14   59   60                                            
CONECT    8    3    3   11   61                                       
CONECT    9   11    5   62   63                                       
CONECT   10    5    5                                                 
CONECT   11    8    9    2    2                                       
CONECT   12    3    1    1   64                                       
CONECT   13    1    4   65   66                                       
CONECT   14    4    6    6    7                                       
CONECT   15   16   67    5                                            
CONECT   16   15   17   19   68                                       
CONECT   17   16   18   18   26                                       
CONECT   18   17   17                                                 
CONECT   19   16   20   69   70                                       
CONECT   20   19   21   71   72                                       
CONECT   21   20   22   73   74                                       
CONECT   22   21   23   75                                            
CONECT   23   22   24   25   25                                       
CONECT   24   23   76   77                                            
CONECT   25   23   23   78   79                                       
CONECT   26   27   80   17                                            
CONECT   27   26   28   30   81                                       
CONECT   28   27   29   29   33                                       
CONECT   29   28   28                                                 
CONECT   30   27   31   32   82                                       
CONECT   31   30   83   84   85                                       
CONECT   32   30   86   87   88                                       
CONECT   33   34   89   28                                            
CONECT   34   33   35   37   90                                       
CONECT   35   34   36   36   44                                       
CONECT   36   35   35                                                 
CONECT   37   34   38   91   92                                       
CONECT   38   37   39   93   94                                       
CONECT   39   38   40   95   96                                       
CONECT   40   39   41   97                                            
CONECT   41   40   42   43   43                                       
CONECT   42   41   98   99                                            
CONECT   43   41   41  100  101                                       
CONECT   44   45  102   35                                            
CONECT   45   44   46  103  104                                       
CONECT   46   45   54   54   47                                       
CONECT   47   46   48   48  105                                       
CONECT   48   47   47   49  106                                       
CONECT   49   48   53   53   50                                       
CONECT   50   49   51   51   52                                       
CONECT   51   50   50  107                                            
CONECT   52   50  108  109                                            
CONECT   53   49   49   54  110                                       
CONECT   54   46   46   53  111                                       
CONECT   55    2                                                      
CONECT   56    3                                                      
CONECT   57    4                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63    9                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   13                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   19                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   21                                                      
CONECT   75   22                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   30                                                      
CONECT   83   31                                                      
CONECT   84   31                                                      
CONECT   85   31                                                      
CONECT   86   32                                                      
CONECT   87   32                                                      
CONECT   88   32                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   37                                                      
CONECT   92   37                                                      
CONECT   93   38                                                      
CONECT   94   38                                                      
CONECT   95   39                                                      
CONECT   96   39                                                      
CONECT   97   40                                                      
CONECT   98   42                                                      
CONECT   99   42                                                      
CONECT  100   43                                                      
CONECT  101   43                                                      
CONECT  102   44                                                      
CONECT  103   45                                                      
CONECT  104   45                                                      
CONECT  105   47                                                      
CONECT  106   48                                                      
CONECT  107   51                                                      
CONECT  108   52                                                      
CONECT  109   52                                                      
CONECT  110   53                                                      
CONECT  111   54                                                      
MASTER        0    0    0    0    0    0    0    0  111    0  111    0
END
