COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.245  -0.805  -0.193  1.00  0.00           C  
HETATM    2  C   UNL     1       2.182  -2.302  -0.274  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.701   0.829  -0.674  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.819   1.743  -0.351  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.563  -2.517   0.036  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.242   3.437  -1.016  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.850   3.405   0.236  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.388   2.485   1.174  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.096   0.826  -1.876  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.261  -2.052   0.148  1.00  0.00           C  
HETATM   11  C   UNL     1       0.787  -2.794  -0.389  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.619  -1.775   0.574  1.00  0.00           N  
HETATM   13  N   UNL     1      -4.227  -0.057   0.203  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.064  -2.023   1.947  1.00  0.00           C  
HETATM   15  N   UNL     1      -6.240   2.600  -1.272  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.766  -1.357   4.337  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.364  -1.045   2.894  1.00  0.00           C  
HETATM   18  N   UNL     1      -7.677   4.329  -1.985  1.00  0.00           N  
HETATM   19  N   UNL     1      -7.963   2.418   2.434  1.00  0.00           N  
HETATM   20  N   UNL     1      -6.378   1.682   0.851  1.00  0.00           N  
HETATM   21  S   UNL     1      -2.825  -0.393  -1.853  1.00  0.00           S  
HETATM   22  C   UNL     1       3.241  -3.036  -0.815  1.00  0.00           C  
HETATM   23  C   UNL     1       4.524  -2.531  -0.686  1.00  0.00           C  
HETATM   24  C   UNL     1       4.714  -1.327  -0.033  1.00  0.00           C  
HETATM   25  C   UNL     1       6.109  -0.773   0.110  1.00  0.00           C  
HETATM   26  C   UNL     1       6.155   0.646  -0.461  1.00  0.00           C  
HETATM   27  N   UNL     1       7.514   1.186  -0.322  1.00  0.00           N  
HETATM   28  C   UNL     1       7.865   1.370   1.092  1.00  0.00           C  
HETATM   29  C   UNL     1       9.312   1.857   1.197  1.00  0.00           C  
HETATM   30  N   UNL     1       9.457   3.116   0.452  1.00  0.00           N  
HETATM   31  C   UNL     1      10.816   3.656   0.591  1.00  0.00           C  
HETATM   32  C   UNL     1       9.106   2.932  -0.963  1.00  0.00           C  
HETATM   33  C   UNL     1       7.659   2.444  -1.067  1.00  0.00           C  
HETATM   34  N   UNL     1       3.695  -0.656   0.468  1.00  0.00           N  
HETATM   35  C   UNL     1       2.457  -1.097   0.370  1.00  0.00           C  
HETATM   36  C   UNL     1       0.523  -4.000  -1.036  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.776  -4.456  -1.143  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.818  -3.718  -0.615  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.233  -4.222  -0.735  1.00  0.00           C  
HETATM   40  H   UNL     1      -8.665   4.073   0.472  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.341   1.468  -2.709  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.061  -1.116   0.649  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.143  -1.881   2.011  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.814  -3.045   2.231  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.471  -2.377   4.584  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.268  -0.661   5.012  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.846  -1.256   4.443  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.284  -1.146   2.788  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.660  -0.026   2.647  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.250   4.345  -2.855  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.408   4.936  -1.791  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.692   3.014   2.667  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.637   1.775   3.082  1.00  0.00           H  
HETATM   54  H   UNL     1       3.063  -3.974  -1.320  1.00  0.00           H  
HETATM   55  H   UNL     1       5.366  -3.071  -1.092  1.00  0.00           H  
HETATM   56  H   UNL     1       6.384  -0.750   1.164  1.00  0.00           H  
HETATM   57  H   UNL     1       6.809  -1.407  -0.435  1.00  0.00           H  
HETATM   58  H   UNL     1       5.879   0.622  -1.516  1.00  0.00           H  
HETATM   59  H   UNL     1       5.454   1.279   0.083  1.00  0.00           H  
HETATM   60  H   UNL     1       7.199   2.109   1.539  1.00  0.00           H  
HETATM   61  H   UNL     1       7.762   0.422   1.620  1.00  0.00           H  
HETATM   62  H   UNL     1       9.566   2.023   2.244  1.00  0.00           H  
HETATM   63  H   UNL     1       9.980   1.107   0.775  1.00  0.00           H  
HETATM   64  H   UNL     1      11.535   2.935   0.202  1.00  0.00           H  
HETATM   65  H   UNL     1      10.896   4.588   0.031  1.00  0.00           H  
HETATM   66  H   UNL     1      11.026   3.846   1.644  1.00  0.00           H  
HETATM   67  H   UNL     1       9.209   3.880  -1.490  1.00  0.00           H  
HETATM   68  H   UNL     1       9.771   2.193  -1.409  1.00  0.00           H  
HETATM   69  H   UNL     1       7.405   2.279  -2.114  1.00  0.00           H  
HETATM   70  H   UNL     1       6.991   3.195  -0.645  1.00  0.00           H  
HETATM   71  H   UNL     1       1.648  -0.517   0.788  1.00  0.00           H  
HETATM   72  H   UNL     1       1.334  -4.577  -1.454  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.979  -5.389  -1.648  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.473  -4.840   0.130  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.918  -3.376  -0.779  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.331  -4.816  -1.644  1.00  0.00           H  
CONECT    1   13   13   12   21                                       
CONECT    2   11   22   22   35                                       
CONECT    3    4   13    9    9                                       
CONECT    4   20   20   15    3                                       
CONECT    5   38   12   10   10                                       
CONECT    6    7   18   15   15                                       
CONECT    7    8    8    6   40                                       
CONECT    8   19    7    7   20                                       
CONECT    9    3    3   21   41                                       
CONECT   10    5    5   11   42                                       
CONECT   11   36   36   10    2                                       
CONECT   12    5   14    1                                            
CONECT   13    3    1    1                                            
CONECT   14   12   17   43   44                                       
CONECT   15    6    6    4                                            
CONECT   16   17   45   46   47                                       
CONECT   17   14   16   48   49                                       
CONECT   18    6   50   51                                            
CONECT   19    8   52   53                                            
CONECT   20    8    4    4                                            
CONECT   21    9    1                                                 
CONECT   22    2    2   23   54                                       
CONECT   23   22   24   24   55                                       
CONECT   24   23   23   34   25                                       
CONECT   25   24   26   56   57                                       
CONECT   26   25   27   58   59                                       
CONECT   27   26   28   33                                            
CONECT   28   27   29   60   61                                       
CONECT   29   28   30   62   63                                       
CONECT   30   29   32   31                                            
CONECT   31   30   64   65   66                                       
CONECT   32   33   30   67   68                                       
CONECT   33   27   32   69   70                                       
CONECT   34   35   35   24                                            
CONECT   35    2   34   34   71                                       
CONECT   36   37   11   11   72                                       
CONECT   37   38   38   36   73                                       
CONECT   38   39   37   37    5                                       
CONECT   39   38   74   75   76                                       
CONECT   40    7                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
CONECT   76   39                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
