COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.775   0.434  -0.806  1.00  0.00           C  
HETATM    2  O   UNL     1       2.230   0.972  -1.747  1.00  0.00           O  
HETATM    3  C   UNL     1       4.276   0.302  -0.780  1.00  0.00           C  
HETATM    4  C   UNL     1       4.850   0.737  -2.129  1.00  0.00           C  
HETATM    5  C   UNL     1       6.336   0.489  -2.146  1.00  0.00           C  
HETATM    6  C   UNL     1       7.200   1.491  -1.824  1.00  0.00           C  
HETATM    7  C   UNL     1       8.578   1.281  -1.835  1.00  0.00           C  
HETATM    8  C   UNL     1       9.100   0.070  -2.173  1.00  0.00           C  
HETATM    9  C   UNL     1       8.239  -0.990  -2.505  1.00  0.00           C  
HETATM   10  C   UNL     1       8.741  -2.255  -2.854  1.00  0.00           C  
HETATM   11  C   UNL     1       7.877  -3.256  -3.176  1.00  0.00           C  
HETATM   12  C   UNL     1       6.499  -3.047  -3.166  1.00  0.00           C  
HETATM   13  C   UNL     1       5.977  -1.835  -2.833  1.00  0.00           C  
HETATM   14  C   UNL     1       6.838  -0.776  -2.494  1.00  0.00           C  
HETATM   15  C   UNL     1       4.846   1.190   0.327  1.00  0.00           C  
HETATM   16  C   UNL     1       4.394   0.673   1.669  1.00  0.00           C  
HETATM   17  C   UNL     1       3.338   1.251   2.304  1.00  0.00           C  
HETATM   18  C   UNL     1       2.907   0.788   3.545  1.00  0.00           C  
HETATM   19  C   UNL     1       3.532  -0.253   4.161  1.00  0.00           C  
HETATM   20  C   UNL     1       4.622  -0.878   3.533  1.00  0.00           C  
HETATM   21  C   UNL     1       5.290  -1.959   4.136  1.00  0.00           C  
HETATM   22  C   UNL     1       6.346  -2.536   3.501  1.00  0.00           C  
HETATM   23  C   UNL     1       6.778  -2.072   2.259  1.00  0.00           C  
HETATM   24  C   UNL     1       6.156  -1.029   1.646  1.00  0.00           C  
HETATM   25  C   UNL     1       5.062  -0.407   2.271  1.00  0.00           C  
HETATM   26  N   UNL     1       2.038  -0.046   0.215  1.00  0.00           N  
HETATM   27  C   UNL     1       0.575  -0.024   0.136  1.00  0.00           C  
HETATM   28  C   UNL     1       0.062   1.287   0.674  1.00  0.00           C  
HETATM   29  O   UNL     1       0.326   1.632   1.807  1.00  0.00           O  
HETATM   30  C   UNL     1       0.003  -1.176   0.965  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.604  -2.224   0.031  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.488  -3.152   0.824  1.00  0.00           C  
HETATM   33  O   UNL     1      -1.118  -3.588   1.893  1.00  0.00           O  
HETATM   34  N   UNL     1      -0.705   2.076  -0.127  1.00  0.00           N  
HETATM   35  C   UNL     1      -1.180   3.344   0.462  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.095   4.414   0.320  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.531   5.683   1.054  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.611   5.402   2.556  1.00  0.00           C  
HETATM   39  C   UNL     1       0.487   6.796   0.798  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.442   3.793  -0.278  1.00  0.00           C  
HETATM   41  O   UNL     1      -2.557   3.070  -1.505  1.00  0.00           O  
HETATM   42  C   UNL     1      -3.669   3.516   0.594  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.606   2.593  -0.140  1.00  0.00           C  
HETATM   44  O   UNL     1      -4.200   1.892  -1.042  1.00  0.00           O  
HETATM   45  N   UNL     1      -5.923   2.558   0.228  1.00  0.00           N  
HETATM   46  C   UNL     1      -6.765   1.629  -0.561  1.00  0.00           C  
HETATM   47  C   UNL     1      -7.088   0.425   0.285  1.00  0.00           C  
HETATM   48  O   UNL     1      -7.293   0.544   1.474  1.00  0.00           O  
HETATM   49  C   UNL     1      -6.005   1.187  -1.813  1.00  0.00           C  
HETATM   50  C   UNL     1      -6.979   0.536  -2.798  1.00  0.00           C  
HETATM   51  C   UNL     1      -7.947   1.594  -3.331  1.00  0.00           C  
HETATM   52  C   UNL     1      -6.197  -0.072  -3.963  1.00  0.00           C  
HETATM   53  N   UNL     1      -7.148  -0.801  -0.312  1.00  0.00           N  
HETATM   54  C   UNL     1      -7.786  -1.854   0.514  1.00  0.00           C  
HETATM   55  C   UNL     1      -6.988  -3.121   0.362  1.00  0.00           C  
HETATM   56  C   UNL     1      -5.677  -3.174   0.797  1.00  0.00           C  
HETATM   57  C   UNL     1      -7.572  -4.239  -0.207  1.00  0.00           C  
HETATM   58  C   UNL     1      -4.953  -4.345   0.670  1.00  0.00           C  
HETATM   59  C   UNL     1      -6.848  -5.409  -0.334  1.00  0.00           C  
HETATM   60  C   UNL     1      -5.538  -5.462   0.105  1.00  0.00           C  
HETATM   61  C   UNL     1      -3.526  -4.404   1.150  1.00  0.00           C  
HETATM   62  N   UNL     1      -2.707  -3.493   0.323  1.00  0.00           N  
HETATM   63  H   UNL     1       4.545  -0.737  -0.588  1.00  0.00           H  
HETATM   64  H   UNL     1       4.377   0.164  -2.927  1.00  0.00           H  
HETATM   65  H   UNL     1       4.657   1.799  -2.281  1.00  0.00           H  
HETATM   66  H   UNL     1       6.812   2.463  -1.557  1.00  0.00           H  
HETATM   67  H   UNL     1       9.241   2.093  -1.576  1.00  0.00           H  
HETATM   68  H   UNL     1      10.170  -0.078  -2.177  1.00  0.00           H  
HETATM   69  H   UNL     1       9.806  -2.432  -2.867  1.00  0.00           H  
HETATM   70  H   UNL     1       8.265  -4.228  -3.444  1.00  0.00           H  
HETATM   71  H   UNL     1       5.835  -3.858  -3.426  1.00  0.00           H  
HETATM   72  H   UNL     1       4.907  -1.687  -2.829  1.00  0.00           H  
HETATM   73  H   UNL     1       5.935   1.175   0.280  1.00  0.00           H  
HETATM   74  H   UNL     1       4.491   2.212   0.193  1.00  0.00           H  
HETATM   75  H   UNL     1       2.827   2.081   1.839  1.00  0.00           H  
HETATM   76  H   UNL     1       2.066   1.264   4.028  1.00  0.00           H  
HETATM   77  H   UNL     1       3.186  -0.602   5.123  1.00  0.00           H  
HETATM   78  H   UNL     1       4.967  -2.329   5.097  1.00  0.00           H  
HETATM   79  H   UNL     1       6.858  -3.366   3.966  1.00  0.00           H  
HETATM   80  H   UNL     1       7.620  -2.547   1.777  1.00  0.00           H  
HETATM   81  H   UNL     1       6.502  -0.680   0.684  1.00  0.00           H  
HETATM   82  H   UNL     1       2.476  -0.402   1.004  1.00  0.00           H  
HETATM   83  H   UNL     1       0.265  -0.136  -0.903  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.770  -0.794   1.633  1.00  0.00           H  
HETATM   85  H   UNL     1       0.799  -1.631   1.554  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.195  -1.727  -0.738  1.00  0.00           H  
HETATM   87  H   UNL     1       0.195  -2.798  -0.439  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.927   1.820  -1.036  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.410   3.193   1.517  1.00  0.00           H  
HETATM   90  H   UNL     1       0.836   4.046   0.751  1.00  0.00           H  
HETATM   91  H   UNL     1       0.057   4.639  -0.736  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.510   5.996   0.691  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.831   6.327   3.088  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.401   4.676   2.748  1.00  0.00           H  
HETATM   95  H   UNL     1       0.342   5.001   2.902  1.00  0.00           H  
HETATM   96  H   UNL     1       0.544   6.997  -0.272  1.00  0.00           H  
HETATM   97  H   UNL     1       0.177   7.700   1.321  1.00  0.00           H  
HETATM   98  H   UNL     1       1.466   6.484   1.161  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.379   4.860  -0.489  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.271   3.380  -2.079  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.179   4.454   0.812  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.354   3.048   1.527  1.00  0.00           H  
HETATM  103  H   UNL     1      -6.278   3.100   0.950  1.00  0.00           H  
HETATM  104  H   UNL     1      -7.688   2.131  -0.851  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.540   2.054  -2.282  1.00  0.00           H  
HETATM  106  H   UNL     1      -5.235   0.467  -1.536  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.541  -0.247  -2.289  1.00  0.00           H  
HETATM  108  H   UNL     1      -7.393   2.337  -3.905  1.00  0.00           H  
HETATM  109  H   UNL     1      -8.689   1.118  -3.973  1.00  0.00           H  
HETATM  110  H   UNL     1      -8.449   2.082  -2.496  1.00  0.00           H  
HETATM  111  H   UNL     1      -5.507  -0.826  -3.583  1.00  0.00           H  
HETATM  112  H   UNL     1      -6.891  -0.536  -4.664  1.00  0.00           H  
HETATM  113  H   UNL     1      -5.635   0.711  -4.472  1.00  0.00           H  
HETATM  114  H   UNL     1      -6.799  -0.957  -1.203  1.00  0.00           H  
HETATM  115  H   UNL     1      -7.801  -1.539   1.558  1.00  0.00           H  
HETATM  116  H   UNL     1      -8.806  -2.019   0.169  1.00  0.00           H  
HETATM  117  H   UNL     1      -5.219  -2.300   1.236  1.00  0.00           H  
HETATM  118  H   UNL     1      -8.595  -4.196  -0.551  1.00  0.00           H  
HETATM  119  H   UNL     1      -7.305  -6.281  -0.778  1.00  0.00           H  
HETATM  120  H   UNL     1      -4.972  -6.377   0.007  1.00  0.00           H  
HETATM  121  H   UNL     1      -3.149  -5.422   1.052  1.00  0.00           H  
HETATM  122  H   UNL     1      -3.477  -4.092   2.193  1.00  0.00           H  
HETATM  123  H   UNL     1      -3.022  -3.156  -0.530  1.00  0.00           H  
CONECT    1   26    3    2    2                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   15   63                                       
CONECT    4    3    5   64   65                                       
CONECT    5   14   14    4    6                                       
CONECT    6    5    7    7   66                                       
CONECT    7    6    6    8   67                                       
CONECT    8    7    9    9   68                                       
CONECT    9   14   10    8    8                                       
CONECT   10    9   11   11   69                                       
CONECT   11   10   10   12   70                                       
CONECT   12   11   13   13   71                                       
CONECT   13   14   12   12   72                                       
CONECT   14    9   13    5    5                                       
CONECT   15   16    3   73   74                                       
CONECT   16   25   25   15   17                                       
CONECT   17   16   18   18   75                                       
CONECT   18   17   17   19   76                                       
CONECT   19   18   20   20   77                                       
CONECT   20   21   25   19   19                                       
CONECT   21   20   22   22   78                                       
CONECT   22   21   21   23   79                                       
CONECT   23   22   24   24   80                                       
CONECT   24   25   23   23   81                                       
CONECT   25   20   24   16   16                                       
CONECT   26   27    1   82                                            
CONECT   27   26   30   28   83                                       
CONECT   28   34   29   29   27                                       
CONECT   29   28   28                                                 
CONECT   30   27   31   84   85                                       
CONECT   31   32   30   86   87                                       
CONECT   32   31   62   33   33                                       
CONECT   33   32   32                                                 
CONECT   34   28   35   88                                            
CONECT   35   34   40   36   89                                       
CONECT   36   35   37   90   91                                       
CONECT   37   36   38   39   92                                       
CONECT   38   37   93   94   95                                       
CONECT   39   37   96   97   98                                       
CONECT   40   41   42   35   99                                       
CONECT   41   40  100                                                 
CONECT   42   43   40  101  102                                       
CONECT   43   45   44   44   42                                       
CONECT   44   43   43                                                 
CONECT   45   46   43  103                                            
CONECT   46   45   47   49  104                                       
CONECT   47   53   46   48   48                                       
CONECT   48   47   47                                                 
CONECT   49   46   50  105  106                                       
CONECT   50   49   51   52  107                                       
CONECT   51   50  108  109  110                                       
CONECT   52   50  111  112  113                                       
CONECT   53   47   54  114                                            
CONECT   54   53   55  115  116                                       
CONECT   55   56   56   57   54                                       
CONECT   56   55   55   58  117                                       
CONECT   57   55   59   59  118                                       
CONECT   58   60   60   61   56                                       
CONECT   59   60   57   57  119                                       
CONECT   60   58   58   59  120                                       
CONECT   61   62   58  121  122                                       
CONECT   62   32   61  123                                            
CONECT   63    3                                                      
CONECT   64    4                                                      
CONECT   65    4                                                      
CONECT   66    6                                                      
CONECT   67    7                                                      
CONECT   68    8                                                      
CONECT   69   10                                                      
CONECT   70   11                                                      
CONECT   71   12                                                      
CONECT   72   13                                                      
CONECT   73   15                                                      
CONECT   74   15                                                      
CONECT   75   17                                                      
CONECT   76   18                                                      
CONECT   77   19                                                      
CONECT   78   21                                                      
CONECT   79   22                                                      
CONECT   80   23                                                      
CONECT   81   24                                                      
CONECT   82   26                                                      
CONECT   83   27                                                      
CONECT   84   30                                                      
CONECT   85   30                                                      
CONECT   86   31                                                      
CONECT   87   31                                                      
CONECT   88   34                                                      
CONECT   89   35                                                      
CONECT   90   36                                                      
CONECT   91   36                                                      
CONECT   92   37                                                      
CONECT   93   38                                                      
CONECT   94   38                                                      
CONECT   95   38                                                      
CONECT   96   39                                                      
CONECT   97   39                                                      
CONECT   98   39                                                      
CONECT   99   40                                                      
CONECT  100   41                                                      
CONECT  101   42                                                      
CONECT  102   42                                                      
CONECT  103   45                                                      
CONECT  104   46                                                      
CONECT  105   49                                                      
CONECT  106   49                                                      
CONECT  107   50                                                      
CONECT  108   51                                                      
CONECT  109   51                                                      
CONECT  110   51                                                      
CONECT  111   52                                                      
CONECT  112   52                                                      
CONECT  113   52                                                      
CONECT  114   53                                                      
CONECT  115   54                                                      
CONECT  116   54                                                      
CONECT  117   56                                                      
CONECT  118   57                                                      
CONECT  119   59                                                      
CONECT  120   60                                                      
CONECT  121   61                                                      
CONECT  122   61                                                      
CONECT  123   62                                                      
MASTER        0    0    0    0    0    0    0    0  123    0  123    0
END
