COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.130  -0.966  -0.267  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.193  -1.898  -0.214  1.00  0.00           C  
HETATM    3  N   UNL     1       0.089  -1.622  -0.199  1.00  0.00           N  
HETATM    4  C   UNL     1       0.511  -0.348  -0.237  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.455   0.687  -0.294  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.823   0.324  -0.308  1.00  0.00           C  
HETATM    7  C   UNL     1       0.662   4.615  -0.414  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.798   0.992   1.947  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.153   2.366  -0.109  1.00  0.00           C  
HETATM   10  C   UNL     1       1.872  -0.019  -0.221  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.043   2.025  -0.334  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.953  -6.194  -0.052  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.526  -5.457   1.160  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.477  -5.549  -1.336  1.00  0.00           C  
HETATM   15  C   UNL     1      10.598   0.002   0.256  1.00  0.00           C  
HETATM   16  C   UNL     1      10.106   0.833   1.463  1.00  0.00           C  
HETATM   17  C   UNL     1       5.928   1.097  -0.181  1.00  0.00           C  
HETATM   18  C   UNL     1       4.502   0.543  -0.190  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.094  -3.990   1.115  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.045  -4.081  -1.382  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.054   1.986  -1.045  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.710   0.689   1.060  1.00  0.00           C  
HETATM   23  C   UNL     1       9.289  -0.619  -0.294  1.00  0.00           C  
HETATM   24  C   UNL     1       8.613   1.093   1.191  1.00  0.00           C  
HETATM   25  C   UNL     1       6.925  -0.062  -0.120  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.533   1.593  -1.002  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.198   0.334   1.042  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.810   1.286  -0.363  1.00  0.00           N  
HETATM   29  O   UNL     1       1.688   3.622  -0.357  1.00  0.00           O  
HETATM   30  O   UNL     1       3.571   1.626  -0.247  1.00  0.00           O  
HETATM   31  C   UNL     1       1.289   2.323  -0.318  1.00  0.00           C  
HETATM   32  C   UNL     1       2.251   1.304  -0.262  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.399   1.172   0.481  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.220   0.889  -0.377  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.618  -3.344  -0.170  1.00  0.00           C  
HETATM   36  N   UNL     1       8.294   0.469  -0.112  1.00  0.00           N  
HETATM   37  N   UNL     1      -6.953   1.414   0.394  1.00  0.00           N  
HETATM   38  H   UNL     1       1.115   5.606  -0.440  1.00  0.00           H  
HETATM   39  H   UNL     1       0.061   4.466  -1.311  1.00  0.00           H  
HETATM   40  H   UNL     1       0.025   4.530   0.467  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.546   1.893   2.506  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.871   0.812   2.012  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.261   0.141   2.368  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.901   3.267   0.450  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.868   2.494  -1.153  1.00  0.00           H  
HETATM   46  H   UNL     1     -10.226   2.186  -0.044  1.00  0.00           H  
HETATM   47  H   UNL     1       2.619  -0.798  -0.178  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.776   2.817  -0.378  1.00  0.00           H  
HETATM   49  H   UNL     1       0.135  -6.135  -0.033  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.260  -7.240  -0.020  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.614  -5.516   1.141  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.153  -5.917   2.075  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.069  -6.074  -2.200  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.565  -5.608  -1.355  1.00  0.00           H  
HETATM   55  H   UNL     1      11.063   0.645  -0.491  1.00  0.00           H  
HETATM   56  H   UNL     1      11.288  -0.777   0.579  1.00  0.00           H  
HETATM   57  H   UNL     1      10.229   0.268   2.387  1.00  0.00           H  
HETATM   58  H   UNL     1      10.650   1.776   1.520  1.00  0.00           H  
HETATM   59  H   UNL     1       6.098   1.675  -1.089  1.00  0.00           H  
HETATM   60  H   UNL     1       6.063   1.739   0.689  1.00  0.00           H  
HETATM   61  H   UNL     1       4.366  -0.099  -1.060  1.00  0.00           H  
HETATM   62  H   UNL     1       4.331  -0.035   0.719  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.502  -3.464   1.978  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.006  -3.930   1.134  1.00  0.00           H  
HETATM   65  H   UNL     1       0.043  -4.022  -1.362  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.418  -3.621  -2.297  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.739   2.103  -2.081  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.912   2.926  -0.512  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.562   1.609   1.626  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.148  -0.120   1.527  1.00  0.00           H  
HETATM   71  H   UNL     1       9.395  -0.870  -1.349  1.00  0.00           H  
HETATM   72  H   UNL     1       9.007  -1.498   0.285  1.00  0.00           H  
HETATM   73  H   UNL     1       8.008   0.641   1.977  1.00  0.00           H  
HETATM   74  H   UNL     1       8.425   2.166   1.145  1.00  0.00           H  
HETATM   75  H   UNL     1       6.754  -0.641   0.789  1.00  0.00           H  
HETATM   76  H   UNL     1       6.789  -0.705  -0.990  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.131   2.378  -1.464  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.676   0.660  -1.546  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.343  -0.593   0.487  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.553   0.205   2.064  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.571   2.226  -0.393  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.651   0.271  -0.077  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.331  -0.042  -0.933  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.706  -3.403  -0.189  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1    3   35                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   10                                       
CONECT    5    4    6    6   11                                       
CONECT    6    1    5    5   28                                       
CONECT    7   29   38   39   40                                       
CONECT    8   33   41   42   43                                       
CONECT    9   33   44   45   46                                       
CONECT   10    4   32   32   47                                       
CONECT   11    5   31   31   48                                       
CONECT   12   13   14   49   50                                       
CONECT   13   12   19   51   52                                       
CONECT   14   12   20   53   54                                       
CONECT   15   16   23   55   56                                       
CONECT   16   15   24   57   58                                       
CONECT   17   18   25   59   60                                       
CONECT   18   17   30   61   62                                       
CONECT   19   13   35   63   64                                       
CONECT   20   14   35   65   66                                       
CONECT   21   26   34   67   68                                       
CONECT   22   27   34   69   70                                       
CONECT   23   15   36   71   72                                       
CONECT   24   16   36   73   74                                       
CONECT   25   17   36   75   76                                       
CONECT   26   21   37   77   78                                       
CONECT   27   22   37   79   80                                       
CONECT   28    6   34   81                                            
CONECT   29    7   31                                                 
CONECT   30   18   32                                                 
CONECT   31   11   11   29   32                                       
CONECT   32   10   10   30   31                                       
CONECT   33    8    9   37   82                                       
CONECT   34   21   22   28   83                                       
CONECT   35    2   19   20   84                                       
CONECT   36   23   24   25                                            
CONECT   37   26   27   33                                            
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   24                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   33                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
