COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.852   4.375  -2.113  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.361   3.619  -1.121  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.726   3.504  -1.821  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.208   2.690  -0.774  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.807   1.233   3.535  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.356  -0.097   2.883  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.266   0.200   1.442  1.00  0.00           N  
HETATM    8  N   UNL     1       0.609   3.454  -2.186  1.00  0.00           N  
HETATM    9  C   UNL     1       0.783   1.333   0.095  1.00  0.00           C  
HETATM   10  C   UNL     1       1.797   2.294   0.030  1.00  0.00           C  
HETATM   11  C   UNL     1       3.106   1.907   0.052  1.00  0.00           C  
HETATM   12  C   UNL     1       3.433   0.549   0.139  1.00  0.00           C  
HETATM   13  C   UNL     1       2.418  -0.411   0.204  1.00  0.00           C  
HETATM   14  C   UNL     1       1.109  -0.023   0.182  1.00  0.00           C  
HETATM   15  C   UNL     1       4.847   0.131   0.162  1.00  0.00           C  
HETATM   16  O   UNL     1      -4.274  -0.344  -0.709  1.00  0.00           O  
HETATM   17  C   UNL     1      -4.363  -0.703   0.446  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.580  -2.159   0.768  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.653  -2.964  -0.531  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.040   2.276   2.680  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.055   1.645   1.271  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.737   1.892   0.584  1.00  0.00           C  
HETATM   23  N   UNL     1      -2.543   2.757  -0.430  1.00  0.00           N  
HETATM   24  N   UNL     1      -1.610   1.300   0.882  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.634   1.753   0.078  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.559   4.312  -2.450  1.00  0.00           N  
HETATM   27  O   UNL     1       5.729   0.966   0.105  1.00  0.00           O  
HETATM   28  N   UNL     1       5.162  -1.176   0.246  1.00  0.00           N  
HETATM   29  C   UNL     1       6.493  -1.570   0.268  1.00  0.00           C  
HETATM   30  N   UNL     1       6.904  -2.798   0.346  1.00  0.00           N  
HETATM   31  S   UNL     1       7.830  -0.508   0.187  1.00  0.00           S  
HETATM   32  C   UNL     1       8.209  -2.992   0.355  1.00  0.00           C  
HETATM   33  C   UNL     1       8.936  -1.876   0.278  1.00  0.00           C  
HETATM   34  H   UNL     1      -3.506   5.045  -2.652  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.409   3.690  -0.870  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.884   1.369   3.442  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.498   1.281   4.580  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.382  -0.398   3.270  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.094  -0.879   3.066  1.00  0.00           H  
HETATM   40  H   UNL     1       1.148   2.684  -1.949  1.00  0.00           H  
HETATM   41  H   UNL     1       1.005   4.190  -2.679  1.00  0.00           H  
HETATM   42  H   UNL     1       1.544   3.342  -0.038  1.00  0.00           H  
HETATM   43  H   UNL     1       3.889   2.649   0.001  1.00  0.00           H  
HETATM   44  H   UNL     1       2.670  -1.459   0.271  1.00  0.00           H  
HETATM   45  H   UNL     1       0.326  -0.765   0.233  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.753  -2.525   1.376  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.481  -2.598  -1.139  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.719  -2.849  -1.082  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.560   3.234   2.680  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.018   2.394   3.041  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.868   2.071   0.683  1.00  0.00           H  
HETATM   52  H   UNL     1       4.458  -1.843   0.292  1.00  0.00           H  
HETATM   53  H   UNL     1       8.653  -3.974   0.418  1.00  0.00           H  
HETATM   54  H   UNL     1      10.015  -1.821   0.269  1.00  0.00           H  
HETATM   55  C   UNL     1      -4.874  -4.442  -0.205  1.00  0.00           C  
HETATM   56  N   UNL     1      -4.944  -5.214  -1.452  1.00  0.00           N  
HETATM   57  C   UNL     1      -3.652  -5.200  -2.153  1.00  0.00           C  
HETATM   58  C   UNL     1      -5.388  -6.590  -1.196  1.00  0.00           C  
HETATM   59  H   UNL     1      -5.514  -2.274   1.319  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.046  -4.807   0.403  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.807  -4.557   0.346  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.887  -5.639  -1.513  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.732  -5.779  -3.073  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.380  -4.172  -2.393  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.378  -6.573  -0.740  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.431  -7.140  -2.136  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.686  -7.079  -0.521  1.00  0.00           H  
CONECT    1    2    2   26   34                                       
CONECT    2    1    1   23   35                                       
CONECT    3   26   26    4    8                                       
CONECT    4   23    3   25   25                                       
CONECT    5   20    6   36   37                                       
CONECT    6    7    5   38   39                                       
CONECT    7   17   21    6                                            
CONECT    8    3   40   41                                            
CONECT    9   25   10   10   14                                       
CONECT   10    9    9   11   42                                       
CONECT   11   10   12   12   43                                       
CONECT   12   11   11   13   15                                       
CONECT   13   14   14   12   44                                       
CONECT   14    9   13   13   45                                       
CONECT   15   12   28   27   27                                       
CONECT   16   17   17                                                 
CONECT   17   16   16   18    7                                       
CONECT   18   19   17   46   59                                       
CONECT   19   18   47   48   55                                       
CONECT   20   21    5   49   50                                       
CONECT   21    7   20   22   51                                       
CONECT   22   21   23   24   24                                       
CONECT   23    2   22    4                                            
CONECT   24   22   22   25                                            
CONECT   25    4    4   24    9                                       
CONECT   26    1    3    3                                            
CONECT   27   15   15                                                 
CONECT   28   15   29   52                                            
CONECT   29   28   30   30   31                                       
CONECT   30   29   29   32                                            
CONECT   31   29   33                                                 
CONECT   32   30   33   33   53                                       
CONECT   33   31   32   32   54                                       
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   28                                                      
CONECT   53   32                                                      
CONECT   54   33                                                      
CONECT   55   19   56   60   61                                       
CONECT   56   55   57   58                                            
CONECT   57   56   62   63   64                                       
CONECT   58   56   65   66   67                                       
CONECT   59   18                                                      
CONECT   60   55                                                      
CONECT   61   55                                                      
CONECT   62   57                                                      
CONECT   63   57                                                      
CONECT   64   57                                                      
CONECT   65   58                                                      
CONECT   66   58                                                      
CONECT   67   58                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
