COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       9.201  -2.531  -3.026  1.00  0.00           N  
HETATM    2  N   UNL     1      -6.231   1.810  -0.584  1.00  0.00           N  
HETATM    3  C   UNL     1       9.285  -1.980  -1.778  1.00  0.00           C  
HETATM    4  C   UNL     1       8.600  -0.906  -1.197  1.00  0.00           C  
HETATM    5  C   UNL     1       8.871  -0.537   0.106  1.00  0.00           C  
HETATM    6  C   UNL     1       7.237   1.172  -0.151  1.00  0.00           C  
HETATM    7  C   UNL     1       6.593   2.310   0.643  1.00  0.00           C  
HETATM    8  C   UNL     1       4.069   3.585   1.605  1.00  0.00           C  
HETATM    9  C   UNL     1       0.405   2.860   0.636  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.891   2.971  -0.787  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.257   2.392  -1.254  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.415   0.848  -1.022  1.00  0.00           C  
HETATM   13  C   UNL     1     -10.449   1.508   0.169  1.00  0.00           C  
HETATM   14  C   UNL     1     -11.224   0.568   1.098  1.00  0.00           C  
HETATM   15  C   UNL     1     -12.935  -1.250   1.187  1.00  0.00           C  
HETATM   16  C   UNL     1     -15.840  -3.570   0.527  1.00  0.00           C  
HETATM   17  C   UNL     1     -14.793  -5.289   1.873  1.00  0.00           C  
HETATM   18  N   UNL     1      10.127  -4.267  -4.360  1.00  0.00           N  
HETATM   19  C   UNL     1      10.496  -5.127  -1.345  1.00  0.00           C  
HETATM   20  O   UNL     1       8.202   0.507   0.666  1.00  0.00           O  
HETATM   21  C   UNL     1      10.778  -3.740  -1.927  1.00  0.00           C  
HETATM   22  C   UNL     1       2.689   3.481   0.996  1.00  0.00           C  
HETATM   23  C   UNL     1       1.563   2.781   1.385  1.00  0.00           C  
HETATM   24  C   UNL     1       0.373   3.642  -0.509  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.069   3.183  -1.740  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.496   2.870  -0.991  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.642   1.843  -0.194  1.00  0.00           C  
HETATM   28  C   UNL     1      12.278  -3.550  -2.160  1.00  0.00           C  
HETATM   29  C   UNL     1     -12.134  -0.333   0.261  1.00  0.00           C  
HETATM   30  C   UNL     1     -13.934  -2.063   0.361  1.00  0.00           C  
HETATM   31  C   UNL     1     -16.183  -4.801   1.404  1.00  0.00           C  
HETATM   32  C   UNL     1     -13.870  -4.064   1.738  1.00  0.00           C  
HETATM   33  C   UNL     1      10.003  -3.532  -3.212  1.00  0.00           C  
HETATM   34  C   UNL     1     -11.283  -1.183  -0.686  1.00  0.00           C  
HETATM   35  C   UNL     1     -10.509  -0.262  -1.635  1.00  0.00           C  
HETATM   36  C   UNL     1       1.504   4.344  -0.899  1.00  0.00           C  
HETATM   37  C   UNL     1       2.659   4.262  -0.147  1.00  0.00           C  
HETATM   38  C   UNL     1       4.019   4.901  -0.320  1.00  0.00           C  
HETATM   39  C   UNL     1       9.824  -1.227   0.851  1.00  0.00           C  
HETATM   40  C   UNL     1      11.077  -1.612   2.836  1.00  0.00           C  
HETATM   41  C   UNL     1      11.233  -1.054   4.252  1.00  0.00           C  
HETATM   42  C   UNL     1      12.166  -1.802   5.207  1.00  0.00           C  
HETATM   43  C   UNL     1      12.587  -0.449   4.628  1.00  0.00           C  
HETATM   44  C   UNL     1      10.506  -2.292   0.279  1.00  0.00           C  
HETATM   45  C   UNL     1      10.239  -2.660  -1.017  1.00  0.00           C  
HETATM   46  C   UNL     1       5.559   3.022  -0.232  1.00  0.00           C  
HETATM   47  N   UNL     1       4.941   4.114   0.531  1.00  0.00           N  
HETATM   48  N   UNL     1      -9.742   0.703  -0.836  1.00  0.00           N  
HETATM   49  N   UNL     1     -14.703  -2.944   1.250  1.00  0.00           N  
HETATM   50  N   UNL     1      -5.477   0.766  -0.602  1.00  0.00           N  
HETATM   51  N   UNL     1      -4.293   1.081  -0.992  1.00  0.00           N  
HETATM   52  O   UNL     1      -0.765   3.721  -1.248  1.00  0.00           O  
HETATM   53  O   UNL     1      -7.843   0.178  -1.855  1.00  0.00           O  
HETATM   54  O   UNL     1      10.086  -0.858   2.134  1.00  0.00           O  
HETATM   55  H   UNL     1       7.859  -0.367  -1.768  1.00  0.00           H  
HETATM   56  H   UNL     1       6.468   0.462  -0.457  1.00  0.00           H  
HETATM   57  H   UNL     1       7.728   1.579  -1.035  1.00  0.00           H  
HETATM   58  H   UNL     1       6.102   1.903   1.527  1.00  0.00           H  
HETATM   59  H   UNL     1       7.361   3.020   0.949  1.00  0.00           H  
HETATM   60  H   UNL     1       4.056   4.271   2.452  1.00  0.00           H  
HETATM   61  H   UNL     1       4.417   2.601   1.921  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.475   2.312   0.942  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.167   3.308   0.212  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.635   1.912  -0.756  1.00  0.00           H  
HETATM   65  H   UNL     1     -11.144   2.185  -0.328  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.730   2.085   0.751  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.522  -0.047   1.661  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.829   1.156   1.788  1.00  0.00           H  
HETATM   69  H   UNL     1     -12.256  -1.928   1.704  1.00  0.00           H  
HETATM   70  H   UNL     1     -13.474  -0.647   1.918  1.00  0.00           H  
HETATM   71  H   UNL     1     -15.535  -3.882  -0.472  1.00  0.00           H  
HETATM   72  H   UNL     1     -16.687  -2.886   0.476  1.00  0.00           H  
HETATM   73  H   UNL     1     -14.838  -5.616   2.911  1.00  0.00           H  
HETATM   74  H   UNL     1     -14.442  -6.101   1.236  1.00  0.00           H  
HETATM   75  H   UNL     1       9.582  -4.054  -5.134  1.00  0.00           H  
HETATM   76  H   UNL     1      10.760  -5.001  -4.400  1.00  0.00           H  
HETATM   77  H   UNL     1       9.420  -5.263  -1.236  1.00  0.00           H  
HETATM   78  H   UNL     1      10.893  -5.890  -2.015  1.00  0.00           H  
HETATM   79  H   UNL     1      10.975  -5.216  -0.370  1.00  0.00           H  
HETATM   80  H   UNL     1       1.588   2.172   2.277  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.326   4.241  -1.771  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.793   2.846  -2.739  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.830   3.893  -1.088  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.734   1.587   0.861  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.042   2.843  -0.362  1.00  0.00           H  
HETATM   86  H   UNL     1      12.639  -4.314  -2.850  1.00  0.00           H  
HETATM   87  H   UNL     1      12.457  -2.563  -2.586  1.00  0.00           H  
HETATM   88  H   UNL     1      12.808  -3.638  -1.212  1.00  0.00           H  
HETATM   89  H   UNL     1     -12.819   0.283  -0.322  1.00  0.00           H  
HETATM   90  H   UNL     1     -14.614  -1.386  -0.156  1.00  0.00           H  
HETATM   91  H   UNL     1     -13.396  -2.666  -0.370  1.00  0.00           H  
HETATM   92  H   UNL     1     -16.797  -4.509   2.256  1.00  0.00           H  
HETATM   93  H   UNL     1     -16.681  -5.568   0.812  1.00  0.00           H  
HETATM   94  H   UNL     1     -13.441  -3.813   2.709  1.00  0.00           H  
HETATM   95  H   UNL     1     -13.073  -4.276   1.025  1.00  0.00           H  
HETATM   96  H   UNL     1     -10.580  -1.781  -0.106  1.00  0.00           H  
HETATM   97  H   UNL     1     -11.930  -1.842  -1.265  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.827  -0.855  -2.244  1.00  0.00           H  
HETATM   99  H   UNL     1     -11.209   0.270  -2.279  1.00  0.00           H  
HETATM  100  H   UNL     1       1.482   4.953  -1.790  1.00  0.00           H  
HETATM  101  H   UNL     1       4.331   4.846  -1.363  1.00  0.00           H  
HETATM  102  H   UNL     1       3.993   5.939   0.011  1.00  0.00           H  
HETATM  103  H   UNL     1      12.029  -1.540   2.310  1.00  0.00           H  
HETATM  104  H   UNL     1      10.769  -2.656   2.888  1.00  0.00           H  
HETATM  105  H   UNL     1      10.341  -0.595   4.678  1.00  0.00           H  
HETATM  106  H   UNL     1      11.889  -1.834   6.260  1.00  0.00           H  
HETATM  107  H   UNL     1      12.669  -2.691   4.826  1.00  0.00           H  
HETATM  108  H   UNL     1      13.367  -0.448   3.866  1.00  0.00           H  
HETATM  109  H   UNL     1      12.586   0.408   5.300  1.00  0.00           H  
HETATM  110  H   UNL     1      11.247  -2.830   0.853  1.00  0.00           H  
HETATM  111  H   UNL     1       6.050   3.429  -1.116  1.00  0.00           H  
HETATM  112  H   UNL     1       4.791   2.312  -0.537  1.00  0.00           H  
CONECT    1   33   33    3                                            
CONECT    2   26   50   27                                            
CONECT    3    1   45   45    4                                       
CONECT    4    3    5    5   55                                       
CONECT    5    4    4   39   20                                       
CONECT    6   20    7   56   57                                       
CONECT    7    6   46   58   59                                       
CONECT    8   22   47   60   61                                       
CONECT    9   23   24   24   62                                       
CONECT   10   52   25   63   64                                       
CONECT   11   25   26   26   51                                       
CONECT   12   27   53   53   48                                       
CONECT   13   48   14   65   66                                       
CONECT   14   13   29   67   68                                       
CONECT   15   29   30   69   70                                       
CONECT   16   49   31   71   72                                       
CONECT   17   31   32   73   74                                       
CONECT   18   33   75   76                                            
CONECT   19   21   77   78   79                                       
CONECT   20    5    6                                                 
CONECT   21   19   33   45   28                                       
CONECT   22    8   23   23   37                                       
CONECT   23   22   22    9   80                                       
CONECT   24    9    9   36   52                                       
CONECT   25   10   11   81   82                                       
CONECT   26   11   11    2   83                                       
CONECT   27    2   12   84   85                                       
CONECT   28   21   86   87   88                                       
CONECT   29   34   14   15   89                                       
CONECT   30   15   49   90   91                                       
CONECT   31   16   17   92   93                                       
CONECT   32   49   17   94   95                                       
CONECT   33   18    1    1   21                                       
CONECT   34   35   29   96   97                                       
CONECT   35   48   34   98   99                                       
CONECT   36   37   37   24  100                                       
CONECT   37   22   38   36   36                                       
CONECT   38   47   37  101  102                                       
CONECT   39   44   44    5   54                                       
CONECT   40   41   54  103  104                                       
CONECT   41   43   42   40  105                                       
CONECT   42   43   41  106  107                                       
CONECT   43   41   42  108  109                                       
CONECT   44   45   39   39  110                                       
CONECT   45   21    3    3   44                                       
CONECT   46    7   47  111  112                                       
CONECT   47    8   46   38                                            
CONECT   48   12   35   13                                            
CONECT   49   30   16   32                                            
CONECT   50   51   51    2                                            
CONECT   51   11   50   50                                            
CONECT   52   24   10                                                 
CONECT   53   12   12                                                 
CONECT   54   39   40                                                 
CONECT   55    4                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63   10                                                      
CONECT   64   10                                                      
CONECT   65   13                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   15                                                      
CONECT   71   16                                                      
CONECT   72   16                                                      
CONECT   73   17                                                      
CONECT   74   17                                                      
CONECT   75   18                                                      
CONECT   76   18                                                      
CONECT   77   19                                                      
CONECT   78   19                                                      
CONECT   79   19                                                      
CONECT   80   23                                                      
CONECT   81   25                                                      
CONECT   82   25                                                      
CONECT   83   26                                                      
CONECT   84   27                                                      
CONECT   85   27                                                      
CONECT   86   28                                                      
CONECT   87   28                                                      
CONECT   88   28                                                      
CONECT   89   29                                                      
CONECT   90   30                                                      
CONECT   91   30                                                      
CONECT   92   31                                                      
CONECT   93   31                                                      
CONECT   94   32                                                      
CONECT   95   32                                                      
CONECT   96   34                                                      
CONECT   97   34                                                      
CONECT   98   35                                                      
CONECT   99   35                                                      
CONECT  100   36                                                      
CONECT  101   38                                                      
CONECT  102   38                                                      
CONECT  103   40                                                      
CONECT  104   40                                                      
CONECT  105   41                                                      
CONECT  106   42                                                      
CONECT  107   42                                                      
CONECT  108   43                                                      
CONECT  109   43                                                      
CONECT  110   44                                                      
CONECT  111   46                                                      
CONECT  112   46                                                      
MASTER        0    0    0    0    0    0    0    0  112    0  112    0
END
