COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.797  -0.893   2.382  1.00  0.00           C  
HETATM    2  N   UNL     1      -7.595  -1.648   2.020  1.00  0.00           N  
HETATM    3  C   UNL     1      -6.538  -1.009   1.405  1.00  0.00           C  
HETATM    4  N   UNL     1      -6.509   0.245   1.108  1.00  0.00           N  
HETATM    5  S   UNL     1      -5.037  -1.788   0.923  1.00  0.00           S  
HETATM    6  C   UNL     1      -4.427  -0.257   0.300  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.220   0.067  -0.308  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.402   0.725   0.508  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.129   2.046   0.088  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.947   2.356  -0.507  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.977   1.372  -0.718  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.690   1.722  -1.366  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.492   1.623  -0.648  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.502   1.199   0.673  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.669   2.144  -2.692  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.957   2.244  -3.468  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.470   2.471  -3.301  1.00  0.00           C  
HETATM   18  C   UNL     1       0.715   2.383  -2.604  1.00  0.00           C  
HETATM   19  C   UNL     1       0.718   1.957  -1.273  1.00  0.00           C  
HETATM   20  C   UNL     1       1.988   1.857  -0.529  1.00  0.00           C  
HETATM   21  O   UNL     1       2.544   2.867  -0.135  1.00  0.00           O  
HETATM   22  C   UNL     1       2.582   0.545  -0.264  1.00  0.00           C  
HETATM   23  C   UNL     1       2.110  -0.751  -0.768  1.00  0.00           C  
HETATM   24  O   UNL     1       1.148  -0.942  -1.489  1.00  0.00           O  
HETATM   25  N   UNL     1       2.946  -1.690  -0.282  1.00  0.00           N  
HETATM   26  C   UNL     1       2.852  -3.065  -0.523  1.00  0.00           C  
HETATM   27  C   UNL     1       2.924  -3.963   0.534  1.00  0.00           C  
HETATM   28  C   UNL     1       2.830  -5.320   0.292  1.00  0.00           C  
HETATM   29  C   UNL     1       2.667  -5.784  -1.000  1.00  0.00           C  
HETATM   30  C   UNL     1       2.596  -4.892  -2.054  1.00  0.00           C  
HETATM   31  C   UNL     1       2.681  -3.534  -1.819  1.00  0.00           C  
HETATM   32  N   UNL     1       3.922  -1.069   0.503  1.00  0.00           N  
HETATM   33  C   UNL     1       5.008  -1.760   1.202  1.00  0.00           C  
HETATM   34  C   UNL     1       3.712   0.278   0.514  1.00  0.00           C  
HETATM   35  C   UNL     1       4.531   1.277   1.224  1.00  0.00           C  
HETATM   36  C   UNL     1       3.923   2.213   2.067  1.00  0.00           C  
HETATM   37  C   UNL     1       4.696   3.144   2.728  1.00  0.00           C  
HETATM   38  C   UNL     1       6.070   3.154   2.559  1.00  0.00           C  
HETATM   39  C   UNL     1       6.678   2.231   1.727  1.00  0.00           C  
HETATM   40  C   UNL     1       5.919   1.290   1.063  1.00  0.00           C  
HETATM   41  H   UNL     1      -8.530  -0.098   3.078  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.238  -0.459   1.485  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.517  -1.562   2.854  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.542  -2.598   2.212  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.470  -0.696  -0.462  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.869   2.818   0.241  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.756   3.372  -0.821  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.345   1.044   1.127  1.00  0.00           H  
HETATM   49  H   UNL     1       0.335   1.056   1.143  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.377   3.243  -3.347  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.761   2.058  -4.524  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.665   1.505  -3.094  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.464   2.797  -4.331  1.00  0.00           H  
HETATM   54  H   UNL     1       1.646   2.641  -3.089  1.00  0.00           H  
HETATM   55  H   UNL     1       3.052  -3.601   1.543  1.00  0.00           H  
HETATM   56  H   UNL     1       2.886  -6.019   1.114  1.00  0.00           H  
HETATM   57  H   UNL     1       2.595  -6.845  -1.186  1.00  0.00           H  
HETATM   58  H   UNL     1       2.468  -5.258  -3.063  1.00  0.00           H  
HETATM   59  H   UNL     1       2.621  -2.838  -2.642  1.00  0.00           H  
HETATM   60  H   UNL     1       4.987  -2.819   0.948  1.00  0.00           H  
HETATM   61  H   UNL     1       5.964  -1.332   0.900  1.00  0.00           H  
HETATM   62  H   UNL     1       4.881  -1.641   2.278  1.00  0.00           H  
HETATM   63  H   UNL     1       2.852   2.206   2.200  1.00  0.00           H  
HETATM   64  H   UNL     1       4.228   3.868   3.379  1.00  0.00           H  
HETATM   65  H   UNL     1       6.669   3.886   3.079  1.00  0.00           H  
HETATM   66  H   UNL     1       7.751   2.245   1.600  1.00  0.00           H  
HETATM   67  H   UNL     1       6.396   0.570   0.414  1.00  0.00           H  
CONECT    1    2   41   42   43                                       
CONECT    2    1    3   44                                            
CONECT    3    2    4    4    5                                       
CONECT    4    3    3    8                                            
CONECT    5    3    6                                                 
CONECT    6    5    8    7    7                                       
CONECT    7    6    6   11   45                                       
CONECT    8    4    9    9    6                                       
CONECT    9    8    8   10   46                                       
CONECT   10    9   11   11   47                                       
CONECT   11   10   10    7   12                                       
CONECT   12   11   15   15   13                                       
CONECT   13   12   14   19   19                                       
CONECT   14   13   48   49                                            
CONECT   15   16   12   12   17                                       
CONECT   16   15   50   51   52                                       
CONECT   17   15   18   18   53                                       
CONECT   18   17   17   19   54                                       
CONECT   19   13   13   18   20                                       
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   34   34                                       
CONECT   23   24   24   22   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   32   26                                            
CONECT   26   25   31   31   27                                       
CONECT   27   26   28   28   55                                       
CONECT   28   27   27   29   56                                       
CONECT   29   30   30   28   57                                       
CONECT   30   31   29   29   58                                       
CONECT   31   26   26   30   59                                       
CONECT   32   34   25   33                                            
CONECT   33   32   60   61   62                                       
CONECT   34   22   22   35   32                                       
CONECT   35   40   34   36   36                                       
CONECT   36   35   35   37   63                                       
CONECT   37   38   38   36   64                                       
CONECT   38   39   37   37   65                                       
CONECT   39   40   40   38   66                                       
CONECT   40   39   39   35   67                                       
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    7                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   33                                                      
CONECT   61   33                                                      
CONECT   62   33                                                      
CONECT   63   36                                                      
CONECT   64   37                                                      
CONECT   65   38                                                      
CONECT   66   39                                                      
CONECT   67   40                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
