COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.926  -1.275  -1.708  1.00  0.00           C  
HETATM    2  N   UNL     1       3.450  -0.434  -2.810  1.00  0.00           N  
HETATM    3  C   UNL     1       3.893  -0.458  -4.085  1.00  0.00           C  
HETATM    4  N   UNL     1       3.232   0.431  -4.774  1.00  0.00           N  
HETATM    5  C   UNL     1       2.353   1.048  -3.972  1.00  0.00           C  
HETATM    6  C   UNL     1       2.469   0.517  -2.740  1.00  0.00           C  
HETATM    7  C   UNL     1       1.678   0.903  -1.516  1.00  0.00           C  
HETATM    8  C   UNL     1       0.413   0.046  -1.435  1.00  0.00           C  
HETATM    9  N   UNL     1      -0.427   0.300  -2.612  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.012  -0.660  -3.643  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.839  -0.453  -4.885  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.408   0.428  -5.861  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.161   0.623  -7.000  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.360  -0.072  -7.168  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.147   0.124  -8.348  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.771   0.281  -9.285  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.789  -0.961  -6.180  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.024  -1.149  -5.048  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.351   0.397  -0.185  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.235   1.227  -0.229  1.00  0.00           O  
HETATM   21  N   UNL     1      -0.054  -0.210   0.980  1.00  0.00           N  
HETATM   22  C   UNL     1       1.087  -1.133   1.091  1.00  0.00           C  
HETATM   23  C   UNL     1       2.085  -0.537   2.085  1.00  0.00           C  
HETATM   24  C   UNL     1       1.373  -0.050   3.313  1.00  0.00           C  
HETATM   25  C   UNL     1       0.063   0.214   3.362  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.853   0.028   2.190  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.502   0.714   4.621  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.562   2.080   4.880  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.098   2.548   6.071  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.581   1.703   7.023  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.553   0.312   6.829  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.048  -0.571   7.804  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.003  -1.913   7.580  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.473  -2.426   6.398  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.984  -1.597   5.432  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.021  -0.212   5.626  1.00  0.00           C  
HETATM   37  C   UNL     1       2.144   0.144   4.504  1.00  0.00           C  
HETATM   38  N   UNL     1       2.755   0.298   5.449  1.00  0.00           N  
HETATM   39  H   UNL     1       4.753  -0.776  -1.202  1.00  0.00           H  
HETATM   40  H   UNL     1       3.114  -1.441  -1.001  1.00  0.00           H  
HETATM   41  H   UNL     1       4.266  -2.232  -2.103  1.00  0.00           H  
HETATM   42  H   UNL     1       4.666  -1.106  -4.471  1.00  0.00           H  
HETATM   43  H   UNL     1       1.668   1.831  -4.263  1.00  0.00           H  
HETATM   44  H   UNL     1       2.285   0.742  -0.625  1.00  0.00           H  
HETATM   45  H   UNL     1       1.400   1.955  -1.581  1.00  0.00           H  
HETATM   46  H   UNL     1       0.690  -1.007  -1.407  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.371   0.057  -2.352  1.00  0.00           H  
HETATM   48  H   UNL     1       1.041  -0.508  -3.879  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.158  -1.675  -3.274  1.00  0.00           H  
HETATM   50  H   UNL     1       0.518   0.966  -5.729  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.824   1.312  -7.761  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.715  -1.502  -6.304  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.354  -1.836  -4.283  1.00  0.00           H  
HETATM   54  H   UNL     1       0.742  -2.102   1.451  1.00  0.00           H  
HETATM   55  H   UNL     1       1.562  -1.249   0.117  1.00  0.00           H  
HETATM   56  H   UNL     1       2.811  -1.299   2.369  1.00  0.00           H  
HETATM   57  H   UNL     1       2.607   0.296   1.616  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.461   0.923   2.057  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.500  -0.830   2.366  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.189   2.781   4.149  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.132   3.613   6.248  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.991   2.107   7.938  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.461  -0.188   8.725  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.383  -2.591   8.330  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.449  -3.495   6.245  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.576  -2.007   4.521  1.00  0.00           H  
CONECT    1    2   39   40   41                                       
CONECT    2    1    3    6                                            
CONECT    3    2    4    4   42                                       
CONECT    4    3    3    5                                            
CONECT    5    4    6    6   43                                       
CONECT    6    2    5    5    7                                       
CONECT    7    6    8   44   45                                       
CONECT    8    7    9   19   46                                       
CONECT    9    8   10   47                                            
CONECT   10    9   11   48   49                                       
CONECT   11   10   12   12   18                                       
CONECT   12   11   11   13   50                                       
CONECT   13   12   14   14   51                                       
CONECT   14   13   13   15   17                                       
CONECT   15   14   16   16   16                                       
CONECT   16   15   15   15                                            
CONECT   17   14   18   18   52                                       
CONECT   18   11   17   17   53                                       
CONECT   19    8   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   26                                            
CONECT   22   21   23   54   55                                       
CONECT   23   22   24   56   57                                       
CONECT   24   23   25   25   37                                       
CONECT   25   24   24   26   27                                       
CONECT   26   21   25   58   59                                       
CONECT   27   25   28   28   36                                       
CONECT   28   27   27   29   60                                       
CONECT   29   28   30   30   61                                       
CONECT   30   29   29   31   62                                       
CONECT   31   30   32   32   36                                       
CONECT   32   31   31   33   63                                       
CONECT   33   32   34   34   64                                       
CONECT   34   33   33   35   65                                       
CONECT   35   34   36   36   66                                       
CONECT   36   27   31   35   35                                       
CONECT   37   24   38   38   38                                       
CONECT   38   37   37   37                                            
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   35                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
