COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.025   2.208   0.380  1.00  0.00           N  
HETATM    2  C   UNL     1       0.045   1.229   0.586  1.00  0.00           C  
HETATM    3  C   UNL     1       1.374   1.862   0.265  1.00  0.00           C  
HETATM    4  O   UNL     1       1.422   3.018  -0.100  1.00  0.00           O  
HETATM    5  C   UNL     1       0.039   0.766   2.045  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.253   0.049   2.339  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.379  -1.296   2.047  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.310   0.735   2.908  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.564  -1.954   2.317  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.495   0.077   3.178  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.623  -1.267   2.881  1.00  0.00           C  
HETATM   12  S   UNL     1      -1.860   2.233  -1.050  1.00  0.00           S  
HETATM   13  O   UNL     1      -2.842   3.252  -0.923  1.00  0.00           O  
HETATM   14  O   UNL     1      -0.885   2.218  -2.084  1.00  0.00           O  
HETATM   15  C   UNL     1      -4.029   0.645  -0.748  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.737   0.710  -1.170  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.096  -0.411  -1.695  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.744  -1.603  -1.801  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.779  -2.924  -1.464  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.068  -2.993  -1.031  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.707  -1.873  -0.501  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.064  -0.677  -0.411  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.729  -0.570  -0.837  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.080  -1.709  -1.377  1.00  0.00           C  
HETATM   25  N   UNL     1       2.509   1.145   0.384  1.00  0.00           N  
HETATM   26  C   UNL     1       3.801   1.761   0.071  1.00  0.00           C  
HETATM   27  C   UNL     1       4.918   0.738   0.287  1.00  0.00           C  
HETATM   28  C   UNL     1       4.763  -0.408  -0.718  1.00  0.00           C  
HETATM   29  C   UNL     1       6.276   1.414   0.078  1.00  0.00           C  
HETATM   30  N   UNL     1       5.914  -1.312  -0.585  1.00  0.00           N  
HETATM   31  C   UNL     1       7.395   0.400   0.325  1.00  0.00           C  
HETATM   32  C   UNL     1       7.268  -0.750  -0.679  1.00  0.00           C  
HETATM   33  C   UNL     1       5.727  -2.658  -0.377  1.00  0.00           C  
HETATM   34  N   UNL     1       6.808  -3.474  -0.141  1.00  0.00           N  
HETATM   35  N   UNL     1       4.524  -3.161  -0.403  1.00  0.00           N  
HETATM   36  H   UNL     1      -1.248   2.838   1.083  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.116   0.371  -0.067  1.00  0.00           H  
HETATM   38  H   UNL     1       0.877   0.090   2.215  1.00  0.00           H  
HETATM   39  H   UNL     1       0.132   1.632   2.701  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.551  -1.833   1.607  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.210   1.785   3.141  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.663  -3.005   2.088  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.321   0.613   3.622  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.549  -1.781   3.092  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.513   1.522  -0.344  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.070  -0.333  -2.022  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.235  -2.463  -2.211  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.297  -3.800  -1.873  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.603  -3.928  -1.100  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.730  -1.954  -0.165  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.572   0.182   0.002  1.00  0.00           H  
HETATM   52  H   UNL     1       2.470   0.221   0.675  1.00  0.00           H  
HETATM   53  H   UNL     1       3.805   2.090  -0.968  1.00  0.00           H  
HETATM   54  H   UNL     1       3.962   2.618   0.725  1.00  0.00           H  
HETATM   55  H   UNL     1       4.860   0.344   1.301  1.00  0.00           H  
HETATM   56  H   UNL     1       3.843  -0.954  -0.509  1.00  0.00           H  
HETATM   57  H   UNL     1       4.730  -0.005  -1.730  1.00  0.00           H  
HETATM   58  H   UNL     1       6.342   1.787  -0.945  1.00  0.00           H  
HETATM   59  H   UNL     1       6.378   2.246   0.775  1.00  0.00           H  
HETATM   60  H   UNL     1       8.362   0.888   0.199  1.00  0.00           H  
HETATM   61  H   UNL     1       7.314   0.009   1.339  1.00  0.00           H  
HETATM   62  H   UNL     1       8.001  -1.522  -0.445  1.00  0.00           H  
HETATM   63  H   UNL     1       7.439  -0.375  -1.688  1.00  0.00           H  
HETATM   64  H   UNL     1       7.692  -3.089  -0.038  1.00  0.00           H  
HETATM   65  H   UNL     1       6.686  -4.434  -0.078  1.00  0.00           H  
HETATM   66  H   UNL     1       4.392  -4.110  -0.256  1.00  0.00           H  
CONECT    1   12    2   36                                            
CONECT    2    1    5    3   37                                       
CONECT    3    2   25    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   38   39                                       
CONECT    6    5    7    8    8                                       
CONECT    7    6    9    9   40                                       
CONECT    8    6    6   10   41                                       
CONECT    9    7    7   11   42                                       
CONECT   10    8   11   11   43                                       
CONECT   11    9   10   10   44                                       
CONECT   12   16    1   14   14                                       
CONECT   12   13   13                                                 
CONECT   13   12   12                                                 
CONECT   14   12   12                                                 
CONECT   15   23   23   16   45                                       
CONECT   16   15   17   17   12                                       
CONECT   17   18   16   16   46                                       
CONECT   18   24   24   17   47                                       
CONECT   19   24   20   20   48                                       
CONECT   20   19   19   21   49                                       
CONECT   21   22   22   20   50                                       
CONECT   22   23   21   21   51                                       
CONECT   23   24   15   15   22                                       
CONECT   24   23   18   18   19                                       
CONECT   25    3   26   52                                            
CONECT   26   25   27   53   54                                       
CONECT   27   26   28   29   55                                       
CONECT   28   27   30   56   57                                       
CONECT   29   27   31   58   59                                       
CONECT   30   28   32   33                                            
CONECT   31   29   32   60   61                                       
CONECT   32   30   31   62   63                                       
CONECT   33   30   34   35   35                                       
CONECT   34   33   64   65                                            
CONECT   35   33   33   66                                            
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   15                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
CONECT   60   31                                                      
CONECT   61   31                                                      
CONECT   62   32                                                      
CONECT   63   32                                                      
CONECT   64   34                                                      
CONECT   65   34                                                      
CONECT   66   35                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
