COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -11.197   1.368  -1.380  1.00  0.00           O  
HETATM    2  O   UNL     1     -11.011   2.585   0.631  1.00  0.00           O  
HETATM    3  O   UNL     1       7.125   5.018  -1.401  1.00  0.00           O  
HETATM    4  O   UNL     1       8.104   4.206   0.584  1.00  0.00           O  
HETATM    5  O   UNL     1      -0.306  -4.076   1.316  1.00  0.00           O  
HETATM    6  O   UNL     1       0.823  -3.542  -0.849  1.00  0.00           O  
HETATM    7  O   UNL     1       6.095  -3.566   1.422  1.00  0.00           O  
HETATM    8  O   UNL     1       7.210  -2.999  -0.576  1.00  0.00           O  
HETATM    9  O   UNL     1       3.030  -2.498  -0.022  1.00  0.00           O  
HETATM   10  O   UNL     1     -11.265   0.099   0.606  1.00  0.00           O  
HETATM   11  O   UNL     1       6.108   5.710   0.609  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.305  -4.551  -0.765  1.00  0.00           O  
HETATM   13  O   UNL     1       4.920  -4.000  -0.575  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.169   0.526   0.019  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.809   2.119   0.060  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.055  -0.285   0.037  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.812   0.387   0.016  1.00  0.00           C  
HETATM   18  C   UNL     1      -8.182   2.252   0.068  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.426  -0.137   0.045  1.00  0.00           C  
HETATM   20  C   UNL     1       4.420   3.419   0.050  1.00  0.00           C  
HETATM   21  C   UNL     1       3.573   2.350   0.038  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.416  -1.886  -0.005  1.00  0.00           C  
HETATM   23  C   UNL     1       6.343   1.987   0.026  1.00  0.00           C  
HETATM   24  C   UNL     1       6.024  -0.442   0.002  1.00  0.00           C  
HETATM   25  N   UNL     1      -4.874   0.707   0.035  1.00  0.00           N  
HETATM   26  N   UNL     1      -4.346  -0.470   0.020  1.00  0.00           N  
HETATM   27  N   UNL     1       1.118  -1.029  -0.002  1.00  0.00           N  
HETATM   28  N   UNL     1       1.874   0.016   0.010  1.00  0.00           N  
HETATM   29  C   UNL     1      -6.233   0.846   0.044  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.989  -0.609   0.011  1.00  0.00           C  
HETATM   31  C   UNL     1       3.813  -1.390  -0.008  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.238  -0.891   0.000  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.989   1.128   0.061  1.00  0.00           C  
HETATM   34  C   UNL     1       5.800   3.237   0.041  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.058  -2.025  -0.014  1.00  0.00           C  
HETATM   36  C   UNL     1       5.201  -1.523  -0.005  1.00  0.00           C  
HETATM   37  C   UNL     1       3.224  -0.122   0.008  1.00  0.00           C  
HETATM   38  C   UNL     1       5.500   0.863   0.019  1.00  0.00           C  
HETATM   39  C   UNL     1       4.096   1.053   0.022  1.00  0.00           C  
HETATM   40  S   UNL     1     -10.742   1.307   0.072  1.00  0.00           S  
HETATM   41  S   UNL     1       6.862   4.643   0.050  1.00  0.00           S  
HETATM   42  S   UNL     1      -0.337  -3.633  -0.034  1.00  0.00           S  
HETATM   43  S   UNL     1       5.907  -3.138  -0.026  1.00  0.00           S  
HETATM   44  H   UNL     1     -12.153   1.467  -1.488  1.00  0.00           H  
HETATM   45  H   UNL     1       7.703   5.785  -1.511  1.00  0.00           H  
HETATM   46  H   UNL     1       6.480  -4.447   1.525  1.00  0.00           H  
HETATM   47  H   UNL     1       2.802  -2.807  -0.909  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.003  -5.468  -0.833  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.611   1.511   0.031  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.180   2.998   0.061  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.617  -1.273   0.025  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.179   1.262   0.026  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.628   3.235   0.081  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.062  -1.010   0.039  1.00  0.00           H  
HETATM   55  H   UNL     1       4.015   4.420   0.062  1.00  0.00           H  
HETATM   56  H   UNL     1       2.504   2.504   0.041  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.049  -2.762  -0.011  1.00  0.00           H  
HETATM   58  H   UNL     1       7.416   1.861   0.019  1.00  0.00           H  
HETATM   59  H   UNL     1       7.094  -0.586  -0.004  1.00  0.00           H  
CONECT    1   40   44                                                 
CONECT    2   40   40                                                 
CONECT    3   41   45                                                 
CONECT    4   41   41                                                 
CONECT    5   42   42                                                 
CONECT    6   42   42                                                 
CONECT    7   43   46                                                 
CONECT    8   43   43                                                 
CONECT    9   31   47                                                 
CONECT   10   40   40                                                 
CONECT   11   41   41                                                 
CONECT   12   42   48                                                 
CONECT   13   43   43                                                 
CONECT   14   17   17   30   49                                       
CONECT   15   29   29   18   50                                       
CONECT   16   29   19   19   51                                       
CONECT   17   14   14   32   52                                       
CONECT   18   15   33   33   53                                       
CONECT   19   16   16   33   54                                       
CONECT   20   21   21   34   55                                       
CONECT   21   20   20   39   56                                       
CONECT   22   35   30   30   57                                       
CONECT   23   38   34   34   58                                       
CONECT   24   36   38   38   59                                       
CONECT   25   26   26   29                                            
CONECT   26   25   25   30                                            
CONECT   27   28   28   32                                            
CONECT   28   27   27   37                                            
CONECT   29   15   15   16   25                                       
CONECT   30   14   22   22   26                                       
CONECT   31    9   36   36   37                                       
CONECT   32   17   27   35   35                                       
CONECT   33   18   18   19   40                                       
CONECT   34   20   23   23   41                                       
CONECT   35   22   32   32   42                                       
CONECT   36   24   31   31   43                                       
CONECT   37   28   31   39   39                                       
CONECT   38   23   24   24   39                                       
CONECT   39   21   37   37   38                                       
CONECT   40    1    2    2   10                                       
CONECT   40   10   33                                                 
CONECT   41    3    4    4   11                                       
CONECT   41   11   34                                                 
CONECT   42    5    5    6    6                                       
CONECT   42   12   35                                                 
CONECT   43    7    8    8   13                                       
CONECT   43   13   36                                                 
CONECT   44    1                                                      
CONECT   45    3                                                      
CONECT   46    7                                                      
CONECT   47    9                                                      
CONECT   48   12                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
