COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      12.646  -1.953   1.774  1.00  0.00           O  
HETATM    2  C   UNL     1      11.680  -1.431   1.241  1.00  0.00           C  
HETATM    3  C   UNL     1      10.452  -2.113   1.182  1.00  0.00           C  
HETATM    4  N   UNL     1      11.787  -0.205   0.705  1.00  0.00           N  
HETATM    5  C   UNL     1      10.724   0.409   0.106  1.00  0.00           C  
HETATM    6  C   UNL     1      10.948   1.796  -0.440  1.00  0.00           C  
HETATM    7  C   UNL     1       9.535  -0.221   0.030  1.00  0.00           C  
HETATM    8  C   UNL     1       9.390  -1.508   0.584  1.00  0.00           C  
HETATM    9  C   UNL     1       8.328   0.384  -0.638  1.00  0.00           C  
HETATM   10  C   UNL     1       8.494   1.895  -0.786  1.00  0.00           C  
HETATM   11  C   UNL     1       9.855   2.166  -1.440  1.00  0.00           C  
HETATM   12  N   UNL     1       7.135   0.107   0.174  1.00  0.00           N  
HETATM   13  C   UNL     1       5.976   0.243  -0.718  1.00  0.00           C  
HETATM   14  C   UNL     1       4.688   0.080   0.091  1.00  0.00           C  
HETATM   15  C   UNL     1       3.481   0.222  -0.838  1.00  0.00           C  
HETATM   16  C   UNL     1       2.193   0.059  -0.029  1.00  0.00           C  
HETATM   17  C   UNL     1       0.985   0.201  -0.958  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.303   0.038  -0.149  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.510   0.180  -1.078  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.798   0.017  -0.269  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.006   0.159  -1.198  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.294  -0.004  -0.389  1.00  0.00           C  
HETATM   23  N   UNL     1      -6.453   0.132  -1.281  1.00  0.00           N  
HETATM   24  C   UNL     1      -7.582   0.076  -0.478  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.283  -1.116  -0.317  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.771  -2.328  -1.048  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.406  -1.146   0.490  1.00  0.00           C  
HETATM   28  C   UNL     1     -10.202  -2.409   0.709  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.884  -3.439  -0.373  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.362  -3.604  -0.452  1.00  0.00           C  
HETATM   31  N   UNL     1      -9.828  -0.057   1.110  1.00  0.00           N  
HETATM   32  C   UNL     1      -9.207   1.118   1.001  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.679   2.259   1.673  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.045   1.226   0.199  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.394   2.461   0.080  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.880   3.546   0.747  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.020   3.442   1.541  1.00  0.00           C  
HETATM   38  H   UNL     1      10.352  -3.099   1.612  1.00  0.00           H  
HETATM   39  H   UNL     1      12.640   0.256   0.744  1.00  0.00           H  
HETATM   40  H   UNL     1      10.940   2.511   0.382  1.00  0.00           H  
HETATM   41  H   UNL     1      11.917   1.833  -0.938  1.00  0.00           H  
HETATM   42  H   UNL     1       8.439  -2.016   0.532  1.00  0.00           H  
HETATM   43  H   UNL     1       8.202  -0.061  -1.625  1.00  0.00           H  
HETATM   44  H   UNL     1       7.698   2.293  -1.416  1.00  0.00           H  
HETATM   45  H   UNL     1       8.457   2.367   0.196  1.00  0.00           H  
HETATM   46  H   UNL     1       9.958   1.560  -2.339  1.00  0.00           H  
HETATM   47  H   UNL     1       9.935   3.223  -1.697  1.00  0.00           H  
HETATM   48  H   UNL     1       7.185  -0.865   0.439  1.00  0.00           H  
HETATM   49  H   UNL     1       5.990   1.228  -1.185  1.00  0.00           H  
HETATM   50  H   UNL     1       6.020  -0.525  -1.490  1.00  0.00           H  
HETATM   51  H   UNL     1       4.674  -0.905   0.557  1.00  0.00           H  
HETATM   52  H   UNL     1       4.644   0.848   0.863  1.00  0.00           H  
HETATM   53  H   UNL     1       3.495   1.207  -1.305  1.00  0.00           H  
HETATM   54  H   UNL     1       3.524  -0.546  -1.610  1.00  0.00           H  
HETATM   55  H   UNL     1       2.178  -0.926   0.437  1.00  0.00           H  
HETATM   56  H   UNL     1       2.149   0.827   0.743  1.00  0.00           H  
HETATM   57  H   UNL     1       0.999   1.186  -1.425  1.00  0.00           H  
HETATM   58  H   UNL     1       1.029  -0.568  -1.730  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.317  -0.947   0.317  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.347   0.806   0.623  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.496   1.165  -1.545  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.467  -0.589  -1.850  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.813  -0.968   0.198  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.842   0.785   0.503  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.992   1.144  -1.665  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.962  -0.610  -1.970  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.308  -0.989   0.078  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.338   0.764   0.383  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.416   1.064  -1.665  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.052  -2.259  -2.099  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.685  -2.364  -0.969  1.00  0.00           H  
HETATM   72  H   UNL     1     -11.266  -2.173   0.678  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.955  -2.826   1.685  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.266  -3.092  -1.333  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.344  -4.394  -0.116  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.117  -4.455  -1.088  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.957  -3.764   0.548  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.562   2.196   2.292  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.509   2.552  -0.532  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.376   4.497   0.658  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.387   4.316   2.060  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2    8    8   38                                       
CONECT    4    2    5   39                                            
CONECT    5    4    6    7    7                                       
CONECT    6    5   11   40   41                                       
CONECT    7    5    5    8    9                                       
CONECT    8    3    3    7   42                                       
CONECT    9    7   10   12   43                                       
CONECT   10    9   11   44   45                                       
CONECT   11    6   10   46   47                                       
CONECT   12    9   13   48                                            
CONECT   13   12   14   49   50                                       
CONECT   14   13   15   51   52                                       
CONECT   15   14   16   53   54                                       
CONECT   16   15   17   55   56                                       
CONECT   17   16   18   57   58                                       
CONECT   18   17   19   59   60                                       
CONECT   19   18   20   61   62                                       
CONECT   20   19   21   63   64                                       
CONECT   21   20   22   65   66                                       
CONECT   22   21   23   67   68                                       
CONECT   23   22   24   69                                            
CONECT   24   23   25   25   34                                       
CONECT   25   24   24   26   27                                       
CONECT   26   25   30   70   71                                       
CONECT   27   25   28   31   31                                       
CONECT   28   27   29   72   73                                       
CONECT   29   28   30   74   75                                       
CONECT   30   26   29   76   77                                       
CONECT   31   27   27   32                                            
CONECT   32   31   33   34   34                                       
CONECT   33   32   37   37   78                                       
CONECT   34   24   32   32   35                                       
CONECT   35   34   36   36   79                                       
CONECT   36   35   35   37   80                                       
CONECT   37   33   33   36   81                                       
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   33                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
MASTER        0    0    0    0    0    0    0    0   81    0   81    0
END
