COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.723   2.056   3.677  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.369   1.544   2.779  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.877   0.460   2.153  1.00  0.00           N  
HETATM    4  C   UNL     1      -2.619   2.100   2.427  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.136   3.312   3.159  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.355   1.546   1.430  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.822   0.373   0.743  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.523  -0.264  -0.304  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.840   0.244  -0.755  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.850   0.513   0.168  1.00  0.00           C  
HETATM   11  N   UNL     1      -7.021   0.965  -0.233  1.00  0.00           N  
HETATM   12  C   UNL     1      -7.285   1.180  -1.507  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.088   0.468  -2.113  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.336   0.938  -2.484  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.655   1.190  -3.935  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.578  -0.147   1.134  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.079  -1.273   0.466  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.771  -1.831  -0.512  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.949  -1.379  -0.901  1.00  0.00           C  
HETATM   20  N   UNL     1       0.150  -1.805   0.835  1.00  0.00           N  
HETATM   21  C   UNL     1       0.676  -2.983   0.139  1.00  0.00           C  
HETATM   22  C   UNL     1       2.203  -3.003   0.251  1.00  0.00           C  
HETATM   23  C   UNL     1       2.742  -4.267  -0.424  1.00  0.00           C  
HETATM   24  N   UNL     1       2.170  -5.453   0.226  1.00  0.00           N  
HETATM   25  C   UNL     1       0.708  -5.479   0.090  1.00  0.00           C  
HETATM   26  C   UNL     1       0.108  -4.252   0.781  1.00  0.00           C  
HETATM   27  O   UNL     1       2.744  -1.849  -0.394  1.00  0.00           O  
HETATM   28  C   UNL     1       3.972  -1.388   0.173  1.00  0.00           C  
HETATM   29  C   UNL     1       4.457  -0.156  -0.593  1.00  0.00           C  
HETATM   30  C   UNL     1       5.828   0.258  -0.065  1.00  0.00           C  
HETATM   31  C   UNL     1       6.441   1.321  -0.979  1.00  0.00           C  
HETATM   32  S   UNL     1       5.402   2.810  -0.934  1.00  0.00           S  
HETATM   33  O   UNL     1       5.819   3.687  -1.971  1.00  0.00           O  
HETATM   34  O   UNL     1       5.351   3.289   0.403  1.00  0.00           O  
HETATM   35  C   UNL     1       3.778   2.125  -1.371  1.00  0.00           C  
HETATM   36  C   UNL     1       3.448   0.975  -0.415  1.00  0.00           C  
HETATM   37  H   UNL     1      -0.017   0.100   2.422  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.414   3.612   3.918  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.281   4.129   2.452  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.086   3.071   3.635  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.312   1.963   1.152  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.672   0.348   1.220  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.258   1.551  -1.793  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.326   0.275  -2.855  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.391   2.215  -4.193  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.085   0.500  -4.557  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.721   1.035  -4.104  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.468  -1.876  -1.707  1.00  0.00           H  
HETATM   49  H   UNL     1       0.660  -1.398   1.552  1.00  0.00           H  
HETATM   50  H   UNL     1       0.388  -2.944  -0.911  1.00  0.00           H  
HETATM   51  H   UNL     1       2.491  -3.001   1.303  1.00  0.00           H  
HETATM   52  H   UNL     1       2.466  -4.261  -1.478  1.00  0.00           H  
HETATM   53  H   UNL     1       3.828  -4.292  -0.333  1.00  0.00           H  
HETATM   54  H   UNL     1       2.444  -5.501   1.196  1.00  0.00           H  
HETATM   55  H   UNL     1       0.441  -5.468  -0.967  1.00  0.00           H  
HETATM   56  H   UNL     1       0.316  -6.384   0.554  1.00  0.00           H  
HETATM   57  H   UNL     1       0.363  -4.270   1.840  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.976  -4.263   0.666  1.00  0.00           H  
HETATM   59  H   UNL     1       3.814  -1.127   1.219  1.00  0.00           H  
HETATM   60  H   UNL     1       4.722  -2.176   0.105  1.00  0.00           H  
HETATM   61  H   UNL     1       4.539  -0.400  -1.652  1.00  0.00           H  
HETATM   62  H   UNL     1       5.720   0.663   0.941  1.00  0.00           H  
HETATM   63  H   UNL     1       6.481  -0.614  -0.034  1.00  0.00           H  
HETATM   64  H   UNL     1       7.445   1.566  -0.631  1.00  0.00           H  
HETATM   65  H   UNL     1       6.492   0.940  -1.999  1.00  0.00           H  
HETATM   66  H   UNL     1       3.018   2.901  -1.282  1.00  0.00           H  
HETATM   67  H   UNL     1       3.802   1.753  -2.395  1.00  0.00           H  
HETATM   68  H   UNL     1       2.446   0.604  -0.628  1.00  0.00           H  
HETATM   69  H   UNL     1       3.488   1.337   0.613  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    4    1    1                                       
CONECT    3   16    2   37                                            
CONECT    4    6    6    2    5                                       
CONECT    5    4   38   39   40                                       
CONECT    6    7    4    4   41                                       
CONECT    7    8    8   16    6                                       
CONECT    8   19    9    7    7                                       
CONECT    9   10    8   13   13                                       
CONECT   10   11   11    9   42                                       
CONECT   11   10   10   12                                            
CONECT   12   11   14   14   43                                       
CONECT   13    9    9   14   44                                       
CONECT   14   12   12   13   15                                       
CONECT   15   14   45   46   47                                       
CONECT   16   17   17    7    3                                       
CONECT   17   18   20   16   16                                       
CONECT   18   19   19   17                                            
CONECT   19   18   18    8   48                                       
CONECT   20   21   17   49                                            
CONECT   21   26   20   22   50                                       
CONECT   22   21   23   27   51                                       
CONECT   23   24   22   52   53                                       
CONECT   24   25   23   54                                            
CONECT   25   26   24   55   56                                       
CONECT   26   21   25   57   58                                       
CONECT   27   22   28                                                 
CONECT   28   27   29   59   60                                       
CONECT   29   28   36   30   61                                       
CONECT   30   29   31   62   63                                       
CONECT   31   30   32   64   65                                       
CONECT   32   35   33   33   31                                       
CONECT   32   34   34                                                 
CONECT   33   32   32                                                 
CONECT   34   32   32                                                 
CONECT   35   36   32   66   67                                       
CONECT   36   29   35   68   69                                       
CONECT   37    3                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42   10                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   36                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
