COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.221   1.154  -0.232  1.00  0.00           C  
HETATM    2  C   UNL     1       3.578   1.037   0.466  1.00  0.00           C  
HETATM    3  C   UNL     1       4.185  -0.335   0.159  1.00  0.00           C  
HETATM    4  C   UNL     1       3.207  -1.426   0.606  1.00  0.00           C  
HETATM    5  C   UNL     1       0.862  -2.263   0.389  1.00  0.00           C  
HETATM    6  O   UNL     1       4.464   2.081  -0.019  1.00  0.00           O  
HETATM    7  C   UNL     1       5.345   4.377   0.200  1.00  0.00           C  
HETATM    8  C   UNL     1       4.453   3.247   0.645  1.00  0.00           C  
HETATM    9  O   UNL     1       3.726   3.392   1.600  1.00  0.00           O  
HETATM   10  O   UNL     1       4.426  -0.451  -1.268  1.00  0.00           O  
HETATM   11  C   UNL     1       5.451  -1.229  -1.652  1.00  0.00           C  
HETATM   12  O   UNL     1       6.124  -1.794  -0.823  1.00  0.00           O  
HETATM   13  C   UNL     1       5.762  -1.398  -3.117  1.00  0.00           C  
HETATM   14  O   UNL     1       3.740  -2.730   0.254  1.00  0.00           O  
HETATM   15  C   UNL     1       3.402  -3.760   1.046  1.00  0.00           C  
HETATM   16  O   UNL     1       2.685  -3.578   2.001  1.00  0.00           O  
HETATM   17  C   UNL     1       3.918  -5.143   0.743  1.00  0.00           C  
HETATM   18  C   UNL     1       1.863  -1.214  -0.097  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.374  -2.138  -0.363  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.363  -2.992  -0.056  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.201  -3.817   0.812  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.675  -2.922  -0.794  1.00  0.00           C  
HETATM   23  O   UNL     1       1.370   0.092   0.205  1.00  0.00           O  
HETATM   24  S   UNL     1       1.462   2.748   0.184  1.00  0.00           S  
HETATM   25  O   UNL     1       1.199   2.827   1.579  1.00  0.00           O  
HETATM   26  O   UNL     1       2.119   3.807  -0.499  1.00  0.00           O  
HETATM   27  N   UNL     1      -0.040   2.684  -0.511  1.00  0.00           N  
HETATM   28  C   UNL     1      -1.026   1.709  -0.038  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.412   2.091  -0.559  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.441   1.073  -0.065  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.828   1.455  -0.586  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.857   0.436  -0.092  1.00  0.00           C  
HETATM   33  O   UNL     1      -7.153   0.793  -0.578  1.00  0.00           O  
HETATM   34  S   UNL     1      -8.260  -0.157  -0.146  1.00  0.00           S  
HETATM   35  O   UNL     1      -9.422   0.224  -0.870  1.00  0.00           O  
HETATM   36  O   UNL     1      -7.708  -1.465  -0.194  1.00  0.00           O  
HETATM   37  N   UNL     1      -8.580   0.157   1.449  1.00  0.00           N  
HETATM   38  H   UNL     1       2.360   1.088  -1.311  1.00  0.00           H  
HETATM   39  H   UNL     1       3.445   1.144   1.543  1.00  0.00           H  
HETATM   40  H   UNL     1       5.126  -0.446   0.698  1.00  0.00           H  
HETATM   41  H   UNL     1       3.066  -1.369   1.685  1.00  0.00           H  
HETATM   42  H   UNL     1       1.279  -3.260   0.239  1.00  0.00           H  
HETATM   43  H   UNL     1       0.660  -2.109   1.449  1.00  0.00           H  
HETATM   44  H   UNL     1       5.923   4.062  -0.670  1.00  0.00           H  
HETATM   45  H   UNL     1       4.735   5.241  -0.062  1.00  0.00           H  
HETATM   46  H   UNL     1       6.025   4.644   1.010  1.00  0.00           H  
HETATM   47  H   UNL     1       5.053  -0.817  -3.708  1.00  0.00           H  
HETATM   48  H   UNL     1       6.774  -1.047  -3.316  1.00  0.00           H  
HETATM   49  H   UNL     1       5.682  -2.451  -3.386  1.00  0.00           H  
HETATM   50  H   UNL     1       5.007  -5.138   0.768  1.00  0.00           H  
HETATM   51  H   UNL     1       3.540  -5.843   1.489  1.00  0.00           H  
HETATM   52  H   UNL     1       3.578  -5.449  -0.247  1.00  0.00           H  
HETATM   53  H   UNL     1       1.998  -1.311  -1.175  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.634  -3.569  -1.670  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.480  -3.251  -0.137  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.860  -1.895  -1.109  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.267   3.293  -1.231  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.760   0.717  -0.404  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.036   1.703   1.052  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.678   3.083  -0.192  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.402   2.098  -1.649  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.176   0.081  -0.431  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.452   1.066   1.025  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.094   2.447  -0.219  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.818   1.461  -1.676  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.592  -0.555  -0.458  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.868   0.430   0.998  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.472   0.015   1.801  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.875   0.484   2.030  1.00  0.00           H  
CONECT    1   23    2   24   38                                       
CONECT    2    3    6    1   39                                       
CONECT    3    4   10    2   40                                       
CONECT    4   14   18    3   41                                       
CONECT    5   18   19   42   43                                       
CONECT    6    2    8                                                 
CONECT    7    8   44   45   46                                       
CONECT    8    6    7    9    9                                       
CONECT    9    8    8                                                 
CONECT   10   11    3                                                 
CONECT   11   12   12   13   10                                       
CONECT   12   11   11                                                 
CONECT   13   11   47   48   49                                       
CONECT   14   15    4                                                 
CONECT   15   17   14   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   15   50   51   52                                       
CONECT   18    5    4   23   53                                       
CONECT   19    5   20                                                 
CONECT   20   22   19   21   21                                       
CONECT   21   20   20                                                 
CONECT   22   20   54   55   56                                       
CONECT   23   18    1                                                 
CONECT   24    1   27   26   26                                       
CONECT   24   25   25                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27   28   24   57                                            
CONECT   28   29   27   58   59                                       
CONECT   29   28   30   60   61                                       
CONECT   30   29   31   62   63                                       
CONECT   31   30   32   64   65                                       
CONECT   32   31   33   66   67                                       
CONECT   33   32   34                                                 
CONECT   34   33   37   35   35                                       
CONECT   34   36   36                                                 
CONECT   35   34   34                                                 
CONECT   36   34   34                                                 
CONECT   37   34   68   69                                            
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
