COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.009  -0.174   0.898  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.858  -1.308   0.316  1.00  0.00           C  
HETATM    3  N   UNL     1      -9.357  -1.634  -1.026  1.00  0.00           N  
HETATM    4  C   UNL     1     -10.205  -1.645  -2.108  1.00  0.00           C  
HETATM    5  N   UNL     1     -11.484  -1.461  -1.935  1.00  0.00           N  
HETATM    6  N   UNL     1      -9.705  -1.849  -3.372  1.00  0.00           N  
HETATM    7  C   UNL     1      -7.931  -1.948  -1.190  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.102  -0.807  -0.591  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.533  -0.577   0.860  1.00  0.00           C  
HETATM   10  O   UNL     1      -7.348  -1.781   1.608  1.00  0.00           O  
HETATM   11  C   UNL     1      -6.684   0.539   1.472  1.00  0.00           C  
HETATM   12  N   UNL     1      -5.260   0.216   1.310  1.00  0.00           N  
HETATM   13  C   UNL     1      -4.863  -0.877   2.207  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.423   1.404   1.526  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.983   1.096   1.109  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.112   2.333   1.333  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.733   2.038   0.933  1.00  0.00           N  
HETATM   18  C   UNL     1       0.221   1.533   1.744  1.00  0.00           C  
HETATM   19  O   UNL     1       0.085   1.264   2.919  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.179   2.241  -0.411  1.00  0.00           C  
HETATM   21  N   UNL     1       1.062   1.434  -0.472  1.00  0.00           N  
HETATM   22  C   UNL     1       2.030   2.064  -1.258  1.00  0.00           C  
HETATM   23  C   UNL     1       2.840   1.313  -2.099  1.00  0.00           C  
HETATM   24  C   UNL     1       3.796   1.939  -2.875  1.00  0.00           C  
HETATM   25  C   UNL     1       3.948   3.312  -2.814  1.00  0.00           C  
HETATM   26  C   UNL     1       3.142   4.063  -1.977  1.00  0.00           C  
HETATM   27  C   UNL     1       2.181   3.444  -1.203  1.00  0.00           C  
HETATM   28  C   UNL     1       1.485   1.359   0.939  1.00  0.00           C  
HETATM   29  C   UNL     1       2.120   0.002   1.228  1.00  0.00           C  
HETATM   30  C   UNL     1       3.412  -0.136   0.418  1.00  0.00           C  
HETATM   31  C   UNL     1       2.472   2.482   1.245  1.00  0.00           C  
HETATM   32  C   UNL     1       3.753   2.265   0.434  1.00  0.00           C  
HETATM   33  N   UNL     1       4.328   0.957   0.770  1.00  0.00           N  
HETATM   34  C   UNL     1       5.636   0.775   0.125  1.00  0.00           C  
HETATM   35  C   UNL     1       6.313  -0.475   0.689  1.00  0.00           C  
HETATM   36  C   UNL     1       7.664  -0.663   0.023  1.00  0.00           C  
HETATM   37  C   UNL     1       7.549  -0.845  -1.493  1.00  0.00           C  
HETATM   38  C   UNL     1       7.525  -2.332  -1.860  1.00  0.00           C  
HETATM   39  C   UNL     1       8.531  -3.093  -0.987  1.00  0.00           C  
HETATM   40  C   UNL     1       9.616  -2.152  -0.420  1.00  0.00           C  
HETATM   41  C   UNL     1       8.527  -1.770   0.624  1.00  0.00           C  
HETATM   42  C   UNL     1       8.062  -3.214   0.474  1.00  0.00           C  
HETATM   43  C   UNL     1       6.579  -3.521   0.648  1.00  0.00           C  
HETATM   44  C   UNL     1       8.915  -4.214   1.286  1.00  0.00           C  
HETATM   45  H   UNL     1      -9.155   0.730   0.307  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.309   0.013   1.929  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.785  -2.186   0.957  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.899  -0.989   0.252  1.00  0.00           H  
HETATM   49  H   UNL     1     -12.083  -1.468  -2.698  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.766  -2.059  -3.494  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.291  -1.783  -4.142  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.700  -2.879  -0.672  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.699  -2.051  -2.250  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.045  -1.071  -0.619  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.266   0.103  -1.168  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.857  -2.532   1.275  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.903   1.480   0.968  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.917   0.632   2.533  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.065  -0.592   3.239  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.430  -1.775   1.960  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.798  -1.077   2.087  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.805   2.231   0.927  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.445   1.678   2.580  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.601   0.269   1.707  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.961   0.822   0.054  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.494   3.160   0.735  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.134   2.607   2.388  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.888   1.896  -1.164  1.00  0.00           H  
HETATM   69  H   UNL     1       0.049   3.295  -0.568  1.00  0.00           H  
HETATM   70  H   UNL     1       2.723   0.240  -2.147  1.00  0.00           H  
HETATM   71  H   UNL     1       4.427   1.356  -3.530  1.00  0.00           H  
HETATM   72  H   UNL     1       4.696   3.799  -3.421  1.00  0.00           H  
HETATM   73  H   UNL     1       3.263   5.135  -1.932  1.00  0.00           H  
HETATM   74  H   UNL     1       1.549   4.031  -0.553  1.00  0.00           H  
HETATM   75  H   UNL     1       2.347  -0.075   2.291  1.00  0.00           H  
HETATM   76  H   UNL     1       1.427  -0.791   0.946  1.00  0.00           H  
HETATM   77  H   UNL     1       3.883  -1.092   0.644  1.00  0.00           H  
HETATM   78  H   UNL     1       3.181  -0.087  -0.646  1.00  0.00           H  
HETATM   79  H   UNL     1       2.028   3.440   0.974  1.00  0.00           H  
HETATM   80  H   UNL     1       2.709   2.479   2.309  1.00  0.00           H  
HETATM   81  H   UNL     1       3.519   2.297  -0.630  1.00  0.00           H  
HETATM   82  H   UNL     1       4.471   3.050   0.672  1.00  0.00           H  
HETATM   83  H   UNL     1       5.498   0.661  -0.950  1.00  0.00           H  
HETATM   84  H   UNL     1       6.261   1.647   0.321  1.00  0.00           H  
HETATM   85  H   UNL     1       6.451  -0.361   1.764  1.00  0.00           H  
HETATM   86  H   UNL     1       5.688  -1.347   0.493  1.00  0.00           H  
HETATM   87  H   UNL     1       8.225   0.293   0.176  1.00  0.00           H  
HETATM   88  H   UNL     1       6.628  -0.371  -1.846  1.00  0.00           H  
HETATM   89  H   UNL     1       8.396  -0.360  -1.985  1.00  0.00           H  
HETATM   90  H   UNL     1       6.522  -2.734  -1.770  1.00  0.00           H  
HETATM   91  H   UNL     1       7.829  -2.435  -2.914  1.00  0.00           H  
HETATM   92  H   UNL     1       8.906  -4.016  -1.435  1.00  0.00           H  
HETATM   93  H   UNL     1      10.487  -2.641  -0.004  1.00  0.00           H  
HETATM   94  H   UNL     1       9.873  -1.326  -1.086  1.00  0.00           H  
HETATM   95  H   UNL     1       8.943  -1.514   1.611  1.00  0.00           H  
HETATM   96  H   UNL     1       6.407  -4.585   0.486  1.00  0.00           H  
HETATM   97  H   UNL     1       6.268  -3.253   1.658  1.00  0.00           H  
HETATM   98  H   UNL     1       6.001  -2.946  -0.075  1.00  0.00           H  
HETATM   99  H   UNL     1       9.965  -4.096   1.019  1.00  0.00           H  
HETATM  100  H   UNL     1       8.787  -4.018   2.351  1.00  0.00           H  
HETATM  101  H   UNL     1       8.594  -5.231   1.063  1.00  0.00           H  
CONECT    1    9    2   45   46                                       
CONECT    2    3    1   47   48                                       
CONECT    3    7    4    2                                            
CONECT    4    5    5    3    6                                       
CONECT    5    4    4   49                                            
CONECT    6    4   50   51                                            
CONECT    7    8    3   52   53                                       
CONECT    8    7    9   54   55                                       
CONECT    9    8    1   11   10                                       
CONECT   10    9   56                                                 
CONECT   11   12    9   57   58                                       
CONECT   12   13   14   11                                            
CONECT   13   12   59   60   61                                       
CONECT   14   15   12   62   63                                       
CONECT   15   16   14   64   65                                       
CONECT   16   17   15   66   67                                       
CONECT   17   18   20   16                                            
CONECT   18   19   19   28   17                                       
CONECT   19   18   18                                                 
CONECT   20   21   17   68   69                                       
CONECT   21   28   22   20                                            
CONECT   22   23   21   27   27                                       
CONECT   23   24   24   22   70                                       
CONECT   24   23   23   25   71                                       
CONECT   25   24   26   26   72                                       
CONECT   26   25   25   27   73                                       
CONECT   27   22   22   26   74                                       
CONECT   28   31   29   18   21                                       
CONECT   29   30   28   75   76                                       
CONECT   30   33   29   77   78                                       
CONECT   31   32   28   79   80                                       
CONECT   32   33   31   81   82                                       
CONECT   33   34   32   30                                            
CONECT   34   35   33   83   84                                       
CONECT   35   36   34   85   86                                       
CONECT   36   37   41   35   87                                       
CONECT   37   38   36   88   89                                       
CONECT   38   39   37   90   91                                       
CONECT   39   40   38   42   92                                       
CONECT   40   39   41   93   94                                       
CONECT   41   40   36   42   95                                       
CONECT   42   39   41   44   43                                       
CONECT   43   42   96   97   98                                       
CONECT   44   42   99  100  101                                       
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   11                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   32                                                      
CONECT   83   34                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   35                                                      
CONECT   87   36                                                      
CONECT   88   37                                                      
CONECT   89   37                                                      
CONECT   90   38                                                      
CONECT   91   38                                                      
CONECT   92   39                                                      
CONECT   93   40                                                      
CONECT   94   40                                                      
CONECT   95   41                                                      
CONECT   96   43                                                      
CONECT   97   43                                                      
CONECT   98   43                                                      
CONECT   99   44                                                      
CONECT  100   44                                                      
CONECT  101   44                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
