COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.358   1.080  12.662  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.230   0.357  12.745  1.00  0.00           N  
HETATM    3  O   UNL     1      -1.821   1.610  13.659  1.00  0.00           O  
HETATM    4  C   UNL     1      -0.286  -0.131  10.445  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.471   0.621  10.326  1.00  0.00           C  
HETATM    6  C   UNL     1       1.843  -1.966  10.682  1.00  0.00           C  
HETATM    7  N   UNL     1       0.125   0.146   8.070  1.00  0.00           N  
HETATM    8  C   UNL     1       0.148  -0.663   6.845  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.008   1.221  11.423  1.00  0.00           C  
HETATM   10  C   UNL     1       1.597  -1.010  11.846  1.00  0.00           C  
HETATM   11  C   UNL     1       0.244  -0.787   9.197  1.00  0.00           C  
HETATM   12  C   UNL     1       1.711  -1.175   9.374  1.00  0.00           C  
HETATM   13  C   UNL     1       0.147   0.257   5.624  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.524  -1.002 -12.574  1.00  0.00           C  
HETATM   15  C   UNL     1       0.314  -0.244  11.646  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.369  -0.334 -12.725  1.00  0.00           N  
HETATM   17  C   UNL     1       0.268   0.239 -11.662  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.261   0.150 -10.426  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.471  -0.546 -10.235  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.099  -1.120 -11.297  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.072  -1.506 -13.541  1.00  0.00           O  
HETATM   22  C   UNL     1       1.565   0.955 -11.943  1.00  0.00           C  
HETATM   23  C   UNL     1       0.378   0.771  -9.212  1.00  0.00           C  
HETATM   24  C   UNL     1       1.845   1.096  -9.483  1.00  0.00           C  
HETATM   25  C   UNL     1       1.926   1.891 -10.792  1.00  0.00           C  
HETATM   26  N   UNL     1       0.290  -0.168  -8.086  1.00  0.00           N  
HETATM   27  C   UNL     1       0.266   0.642  -6.861  1.00  0.00           C  
HETATM   28  C   UNL     1       0.172  -0.586   4.348  1.00  0.00           C  
HETATM   29  C   UNL     1       0.171   0.334   3.127  1.00  0.00           C  
HETATM   30  C   UNL     1       0.196  -0.509   1.851  1.00  0.00           C  
HETATM   31  C   UNL     1       0.195   0.411   0.630  1.00  0.00           C  
HETATM   32  C   UNL     1       0.220  -0.432  -0.645  1.00  0.00           C  
HETATM   33  C   UNL     1       0.219   0.488  -1.867  1.00  0.00           C  
HETATM   34  C   UNL     1       0.243  -0.355  -3.142  1.00  0.00           C  
HETATM   35  C   UNL     1       0.243   0.565  -4.364  1.00  0.00           C  
HETATM   36  C   UNL     1       0.267  -0.278  -5.640  1.00  0.00           C  
HETATM   37  H   UNL     1       0.207   0.259  13.605  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.955   0.720   9.365  1.00  0.00           H  
HETATM   39  H   UNL     1       1.106  -2.768  10.703  1.00  0.00           H  
HETATM   40  H   UNL     1       2.846  -2.386  10.757  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.795   0.555   8.130  1.00  0.00           H  
HETATM   42  H   UNL     1       1.047  -1.280   6.835  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.732  -1.305   6.817  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.915   1.802  11.342  1.00  0.00           H  
HETATM   45  H   UNL     1       2.428  -0.307  11.916  1.00  0.00           H  
HETATM   46  H   UNL     1       1.533  -1.581  12.772  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.340  -1.682   8.985  1.00  0.00           H  
HETATM   48  H   UNL     1       2.031  -1.794   8.536  1.00  0.00           H  
HETATM   49  H   UNL     1       2.326  -0.277   9.424  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.750   0.873   5.634  1.00  0.00           H  
HETATM   51  H   UNL     1       1.028   0.898   5.652  1.00  0.00           H  
HETATM   52  H   UNL     1       0.020  -0.256 -13.610  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.899  -0.624  -9.247  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.026  -1.658 -11.160  1.00  0.00           H  
HETATM   55  H   UNL     1       1.462   1.536 -12.859  1.00  0.00           H  
HETATM   56  H   UNL     1       2.360   0.221 -12.071  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.151   1.688  -8.956  1.00  0.00           H  
HETATM   58  H   UNL     1       2.246   1.693  -8.664  1.00  0.00           H  
HETATM   59  H   UNL     1       2.415   0.172  -9.578  1.00  0.00           H  
HETATM   60  H   UNL     1       1.222   2.723 -10.760  1.00  0.00           H  
HETATM   61  H   UNL     1       2.938   2.270 -10.930  1.00  0.00           H  
HETATM   62  H   UNL     1       1.155  -0.687  -8.073  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.631   1.259  -6.851  1.00  0.00           H  
HETATM   64  H   UNL     1       1.147   1.283  -6.833  1.00  0.00           H  
HETATM   65  H   UNL     1       1.071  -1.203   4.338  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.708  -1.228   4.320  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.727   0.950   3.137  1.00  0.00           H  
HETATM   68  H   UNL     1       1.052   0.975   3.155  1.00  0.00           H  
HETATM   69  H   UNL     1       1.095  -1.126   1.841  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.684  -1.151   1.823  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.703   1.028   0.640  1.00  0.00           H  
HETATM   72  H   UNL     1       1.076   1.052   0.658  1.00  0.00           H  
HETATM   73  H   UNL     1       1.118  -1.049  -0.656  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.660  -1.074  -0.673  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.679   1.105  -1.856  1.00  0.00           H  
HETATM   76  H   UNL     1       1.100   1.129  -1.838  1.00  0.00           H  
HETATM   77  H   UNL     1       1.142  -0.972  -3.153  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.637  -0.997  -3.171  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.655   1.182  -4.353  1.00  0.00           H  
HETATM   80  H   UNL     1       1.124   1.206  -4.336  1.00  0.00           H  
HETATM   81  H   UNL     1       1.166  -0.895  -5.650  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.613  -0.920  -5.668  1.00  0.00           H  
CONECT    1    2    3    3    9                                       
CONECT    2    1   15   37                                            
CONECT    3    1    1                                                 
CONECT    4    5   11   15   15                                       
CONECT    5    4    9    9   38                                       
CONECT    6   10   12   39   40                                       
CONECT    7    8   11   41                                            
CONECT    8    7   13   42   43                                       
CONECT    9    1    5    5   44                                       
CONECT   10    6   15   45   46                                       
CONECT   11    4    7   12   47                                       
CONECT   12    6   11   48   49                                       
CONECT   13    8   28   50   51                                       
CONECT   14   16   20   21   21                                       
CONECT   15    2    4    4   10                                       
CONECT   16   14   17   52                                            
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   23                                       
CONECT   19   18   20   20   53                                       
CONECT   20   14   19   19   54                                       
CONECT   21   14   14                                                 
CONECT   22   17   25   55   56                                       
CONECT   23   18   24   26   57                                       
CONECT   24   23   25   58   59                                       
CONECT   25   22   24   60   61                                       
CONECT   26   23   27   62                                            
CONECT   27   26   36   63   64                                       
CONECT   28   13   29   65   66                                       
CONECT   29   28   30   67   68                                       
CONECT   30   29   31   69   70                                       
CONECT   31   30   32   71   72                                       
CONECT   32   31   33   73   74                                       
CONECT   33   32   34   75   76                                       
CONECT   34   33   35   77   78                                       
CONECT   35   34   36   79   80                                       
CONECT   36   27   35   81   82                                       
CONECT   37    2                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   16                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
