COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.602   3.921   0.021  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.736   2.580  -0.028  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.986   3.621   0.545  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.644   4.828   0.839  1.00  0.00           C  
HETATM    5  N   UNL     1      -4.862   1.538  -0.206  1.00  0.00           N  
HETATM    6  N   UNL     1       6.293   0.177  -0.578  1.00  0.00           N  
HETATM    7  C   UNL     1       7.450   0.554  -1.132  1.00  0.00           C  
HETATM    8  C   UNL     1       8.003   0.165  -2.373  1.00  0.00           C  
HETATM    9  C   UNL     1       9.206   0.655  -2.780  1.00  0.00           C  
HETATM   10  C   UNL     1       9.916   1.549  -1.983  1.00  0.00           C  
HETATM   11  O   UNL     1      11.116   2.030  -2.404  1.00  0.00           O  
HETATM   12  C   UNL     1       9.400   1.947  -0.765  1.00  0.00           C  
HETATM   13  C   UNL     1       8.170   1.454  -0.335  1.00  0.00           C  
HETATM   14  S   UNL     1       7.249   1.754   1.137  1.00  0.00           S  
HETATM   15  C   UNL     1       5.985   0.665   0.580  1.00  0.00           C  
HETATM   16  C   UNL     1       4.759   0.357   1.321  1.00  0.00           C  
HETATM   17  C   UNL     1       3.852  -0.496   0.800  1.00  0.00           C  
HETATM   18  C   UNL     1       2.626  -0.805   1.541  1.00  0.00           C  
HETATM   19  N   UNL     1       1.689  -1.614   1.138  1.00  0.00           N  
HETATM   20  S   UNL     1       2.198  -0.146   3.115  1.00  0.00           S  
HETATM   21  C   UNL     1       0.736  -1.033   3.110  1.00  0.00           C  
HETATM   22  C   UNL     1       0.659  -1.757   1.957  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.484  -2.635   1.647  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.406  -2.733   2.433  1.00  0.00           O  
HETATM   25  N   UNL     1      -0.506  -3.331   0.493  1.00  0.00           N  
HETATM   26  S   UNL     1      -1.789  -4.317   0.145  1.00  0.00           S  
HETATM   27  O   UNL     1      -1.532  -4.873  -1.138  1.00  0.00           O  
HETATM   28  O   UNL     1      -2.013  -5.108   1.304  1.00  0.00           O  
HETATM   29  O   UNL     1      -3.013  -3.426  -0.011  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.048  -2.695  -1.238  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.315  -1.838  -1.285  1.00  0.00           C  
HETATM   32  O   UNL     1      -4.231  -0.763  -0.325  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.437  -1.135  -2.655  1.00  0.00           C  
HETATM   34  O   UNL     1      -5.328  -1.854  -3.510  1.00  0.00           O  
HETATM   35  C   UNL     1      -5.020   0.255  -2.313  1.00  0.00           C  
HETATM   36  O   UNL     1      -6.287   0.437  -2.948  1.00  0.00           O  
HETATM   37  C   UNL     1      -5.181   0.227  -0.777  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.642   1.946   0.244  1.00  0.00           C  
HETATM   39  N   UNL     1      -3.717   3.169   0.684  1.00  0.00           N  
HETATM   40  N   UNL     1      -7.029   2.772  -0.270  1.00  0.00           N  
HETATM   41  N   UNL     1      -6.939   4.927   0.561  1.00  0.00           N  
HETATM   42  N   UNL     1      -4.957   5.888   1.404  1.00  0.00           N  
HETATM   43  H   UNL     1      -8.653   4.045  -0.192  1.00  0.00           H  
HETATM   44  H   UNL     1       7.467  -0.527  -3.004  1.00  0.00           H  
HETATM   45  H   UNL     1       9.614   0.347  -3.731  1.00  0.00           H  
HETATM   46  H   UNL     1      11.054   2.846  -2.920  1.00  0.00           H  
HETATM   47  H   UNL     1       9.950   2.641  -0.146  1.00  0.00           H  
HETATM   48  H   UNL     1       4.582   0.811   2.285  1.00  0.00           H  
HETATM   49  H   UNL     1       4.030  -0.951  -0.163  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.006  -1.024   3.895  1.00  0.00           H  
HETATM   51  H   UNL     1       0.231  -3.253  -0.134  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.171  -2.051  -1.302  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.049  -3.392  -2.076  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.195  -2.452  -1.094  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.457  -1.036  -3.123  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.442  -1.457  -4.384  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.328   1.043  -2.610  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.251   0.403  -3.914  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.194  -0.068  -0.505  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.745   1.345   0.236  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.012   5.803   1.603  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.422   6.716   1.602  1.00  0.00           H  
CONECT    1   40   40   41   43                                       
CONECT    2   40    5    3    3                                       
CONECT    3    2    2    4   39                                       
CONECT    4   41   41    3   42                                       
CONECT    5   37    2   38                                            
CONECT    6   15   15    7                                            
CONECT    7   13    6    8    8                                       
CONECT    8    7    7    9   44                                       
CONECT    9   10   10    8   45                                       
CONECT   10   12   11    9    9                                       
CONECT   11   10   46                                                 
CONECT   12   13   13   10   47                                       
CONECT   13   14   12   12    7                                       
CONECT   14   13   15                                                 
CONECT   15   14   16    6    6                                       
CONECT   16   15   17   17   48                                       
CONECT   17   16   16   18   49                                       
CONECT   18   19   19   17   20                                       
CONECT   19   22   18   18                                            
CONECT   20   21   18                                                 
CONECT   21   22   22   20   50                                       
CONECT   22   23   19   21   21                                       
CONECT   23   24   24   25   22                                       
CONECT   24   23   23                                                 
CONECT   25   26   23   51                                            
CONECT   26   28   28   29   25                                       
CONECT   26   27   27                                                 
CONECT   27   26   26                                                 
CONECT   28   26   26                                                 
CONECT   29   26   30                                                 
CONECT   30   29   31   52   53                                       
CONECT   31   32   30   33   54                                       
CONECT   32   37   31                                                 
CONECT   33   35   31   34   55                                       
CONECT   34   33   56                                                 
CONECT   35   37   36   33   57                                       
CONECT   36   35   58                                                 
CONECT   37    5   32   35   59                                       
CONECT   38    5   39   39   60                                       
CONECT   39    3   38   38                                            
CONECT   40    1    1    2                                            
CONECT   41    1    4    4                                            
CONECT   42    4   61   62                                            
CONECT   43    1                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   21                                                      
CONECT   51   25                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   33                                                      
CONECT   56   34                                                      
CONECT   57   35                                                      
CONECT   58   36                                                      
CONECT   59   37                                                      
CONECT   60   38                                                      
CONECT   61   42                                                      
CONECT   62   42                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
