COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.300   1.360   0.540  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.133   2.041   3.354  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.533   0.915  -0.204  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.433  -1.148   0.591  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.441  -2.290   0.819  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.071  -3.378   1.660  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.979  -4.466  -0.077  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.105  -2.990  -0.518  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.771   1.072  -0.504  1.00  0.00           C  
HETATM   10  C   UNL     1       5.606   1.720  -0.769  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.942   4.241   2.488  1.00  0.00           C  
HETATM   12  S   UNL     1      -6.123   0.452  -1.542  1.00  0.00           S  
HETATM   13  C   UNL     1       9.942  -1.607  -0.161  1.00  0.00           C  
HETATM   14  C   UNL     1       7.970  -1.254  -1.576  1.00  0.00           C  
HETATM   15  C   UNL     1       7.337   0.127  -1.779  1.00  0.00           C  
HETATM   16  C   UNL     1       5.141  -0.337  -0.547  1.00  0.00           C  
HETATM   17  O   UNL     1       3.162   1.190  -0.678  1.00  0.00           O  
HETATM   18  C   UNL     1       2.091   1.122   0.135  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.502   2.787   1.055  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.609   2.796   2.111  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.768  -0.054  -0.247  1.00  0.00           C  
HETATM   22  C   UNL     1       6.454   0.456  -0.577  1.00  0.00           C  
HETATM   23  C   UNL     1       4.463   0.961  -0.075  1.00  0.00           C  
HETATM   24  C   UNL     1       7.213   0.428   0.748  1.00  0.00           C  
HETATM   25  C   UNL     1       7.847  -0.956   0.935  1.00  0.00           C  
HETATM   26  N   UNL     1      11.042  -1.879  -0.075  1.00  0.00           N  
HETATM   27  N   UNL     1       8.630  -1.283  -0.264  1.00  0.00           N  
HETATM   28  N   UNL     1       0.854   1.325  -0.361  1.00  0.00           N  
HETATM   29  N   UNL     1      -2.611   0.479   0.477  1.00  0.00           N  
HETATM   30  N   UNL     1      -3.801  -4.585   1.133  1.00  0.00           N  
HETATM   31  O   UNL     1      -4.724  -3.190   2.665  1.00  0.00           O  
HETATM   32  O   UNL     1      -4.114   2.151  -1.172  1.00  0.00           O  
HETATM   33  O   UNL     1      -1.554   0.949  -1.416  1.00  0.00           O  
HETATM   34  O   UNL     1       2.239   0.877   1.316  1.00  0.00           O  
HETATM   35  O   UNL     1      -6.850  -0.552  -0.660  1.00  0.00           O  
HETATM   36  H   UNL     1      -0.124   0.692   1.383  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.189   2.464   3.697  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.880   2.133   4.143  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.992   0.988   3.108  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.309  -1.527   0.064  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.739  -0.734   1.552  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.533  -1.916   1.293  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.359  -5.126  -0.858  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.914  -2.866  -1.237  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.174   1.424   0.445  1.00  0.00           H  
HETATM   46  H   UNL     1       5.968   2.579  -0.203  1.00  0.00           H  
HETATM   47  H   UNL     1       5.403   1.957  -1.813  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.281   4.778   1.603  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.730   4.247   3.241  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.053   4.726   2.890  1.00  0.00           H  
HETATM   51  H   UNL     1       7.195  -2.020  -1.612  1.00  0.00           H  
HETATM   52  H   UNL     1       8.704  -1.439  -2.360  1.00  0.00           H  
HETATM   53  H   UNL     1       8.122   0.878  -1.870  1.00  0.00           H  
HETATM   54  H   UNL     1       6.733   0.121  -2.686  1.00  0.00           H  
HETATM   55  H   UNL     1       4.809  -0.670  -1.531  1.00  0.00           H  
HETATM   56  H   UNL     1       5.128  -1.134   0.196  1.00  0.00           H  
HETATM   57  H   UNL     1       0.426   3.148   1.497  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.786   3.435   0.226  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.499   2.310   1.710  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.440  -0.473  -1.198  1.00  0.00           H  
HETATM   61  H   UNL     1       4.455   1.079   1.009  1.00  0.00           H  
HETATM   62  H   UNL     1       7.994   1.188   0.737  1.00  0.00           H  
HETATM   63  H   UNL     1       6.523   0.627   1.568  1.00  0.00           H  
HETATM   64  H   UNL     1       8.501  -0.943   1.807  1.00  0.00           H  
HETATM   65  H   UNL     1       7.063  -1.701   1.074  1.00  0.00           H  
HETATM   66  H   UNL     1       0.729   1.448  -1.315  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.620   0.517   1.446  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.110  -5.426   1.504  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.378   2.533  -0.674  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.609  -0.973  -1.086  1.00  0.00           H  
HETATM   71  O   UNL     1      -7.083   1.474  -1.774  1.00  0.00           O  
HETATM   72  O   UNL     1      -5.611  -0.329  -2.614  1.00  0.00           O  
HETATM   73  H   UNL     1      -1.940  -4.705   0.146  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.163  -2.623  -0.925  1.00  0.00           H  
CONECT    1   28    3   19   36                                       
CONECT    2   20   37   38   39                                       
CONECT    3    1   29   33   33                                       
CONECT    4    5   21   40   41                                       
CONECT    5    6    4    8   42                                       
CONECT    6   31   31   30    5                                       
CONECT    7   30    8   43   73                                       
CONECT    8    5    7   44   74                                       
CONECT    9   12   21   32   45                                       
CONECT   10   22   23   46   47                                       
CONECT   11   20   48   49   50                                       
CONECT   12    9   35   71   71                                       
CONECT   12   72   72                                                 
CONECT   13   26   26   26   27                                       
CONECT   14   27   15   51   52                                       
CONECT   15   22   14   53   54                                       
CONECT   16   22   23   55   56                                       
CONECT   17   23   18                                                 
CONECT   18   34   34   17   28                                       
CONECT   19    1   20   57   58                                       
CONECT   20   11   19    2   59                                       
CONECT   21    4   29    9   60                                       
CONECT   22   24   10   15   16                                       
CONECT   23   10   16   17   61                                       
CONECT   24   25   22   62   63                                       
CONECT   25   27   24   64   65                                       
CONECT   26   13   13   13                                            
CONECT   27   25   13   14                                            
CONECT   28   18    1   66                                            
CONECT   29    3   21   67                                            
CONECT   30    6    7   68                                            
CONECT   31    6    6                                                 
CONECT   32    9   69                                                 
CONECT   33    3    3                                                 
CONECT   34   18   18                                                 
CONECT   35   12   70                                                 
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   32                                                      
CONECT   70   35                                                      
CONECT   71   12   12                                                 
CONECT   72   12   12                                                 
CONECT   73    7                                                      
CONECT   74    8                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
