COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.391  -2.578   0.558  1.00  0.00           C  
HETATM    2  C   UNL     1       1.372  -1.090   0.320  1.00  0.00           C  
HETATM    3  C   UNL     1       2.120  -3.457  -0.359  1.00  0.00           C  
HETATM    4  O   UNL     1       0.803  -3.048   1.509  1.00  0.00           O  
HETATM    5  N   UNL     1       0.315  -0.479   1.129  1.00  0.00           N  
HETATM    6  C   UNL     1       2.725  -0.493   0.714  1.00  0.00           C  
HETATM    7  C   UNL     1       2.750   0.994   0.356  1.00  0.00           C  
HETATM    8  C   UNL     1       4.103   1.591   0.750  1.00  0.00           C  
HETATM    9  N   UNL     1       4.126   3.015   0.408  1.00  0.00           N  
HETATM   10  C   UNL     1       5.247   3.767   0.671  1.00  0.00           C  
HETATM   11  N   UNL     1       6.346   3.181   1.255  1.00  0.00           N  
HETATM   12  N   UNL     1       5.268   5.034   0.367  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.950  -0.439   0.666  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.213  -0.908  -0.421  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.038   0.189   1.499  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.312   0.108   0.780  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.641   1.061  -0.139  1.00  0.00           C  
HETATM   18  N   UNL     1      -4.779   1.011  -0.797  1.00  0.00           N  
HETATM   19  C   UNL     1      -5.659   0.032  -0.593  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.391  -0.952   0.318  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.168  -0.905   1.032  1.00  0.00           C  
HETATM   22  N   UNL     1      -6.308  -1.987   0.542  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.700   2.169  -0.403  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.222   2.950   0.651  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.343   3.982   0.397  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.934   4.244  -0.898  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.403   3.473  -1.948  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.287   2.442  -1.709  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.953   3.766  -3.356  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.893  -1.764   1.853  1.00  0.00           O  
HETATM   31  N   UNL     1       2.815  -3.147  -1.450  1.00  0.00           N  
HETATM   32  C   UNL     1       3.402  -4.086  -2.137  1.00  0.00           C  
HETATM   33  C   UNL     1       3.290  -5.389  -1.740  1.00  0.00           C  
HETATM   34  S   UNL     1       2.306  -5.233  -0.317  1.00  0.00           S  
HETATM   35  H   UNL     1       1.182  -0.893  -0.735  1.00  0.00           H  
HETATM   36  H   UNL     1       0.525  -0.104   1.999  1.00  0.00           H  
HETATM   37  H   UNL     1       2.876  -0.612   1.787  1.00  0.00           H  
HETATM   38  H   UNL     1       3.520  -1.010   0.176  1.00  0.00           H  
HETATM   39  H   UNL     1       2.599   1.113  -0.717  1.00  0.00           H  
HETATM   40  H   UNL     1       1.955   1.510   0.894  1.00  0.00           H  
HETATM   41  H   UNL     1       4.253   1.472   1.823  1.00  0.00           H  
HETATM   42  H   UNL     1       4.898   1.075   0.212  1.00  0.00           H  
HETATM   43  H   UNL     1       3.351   3.428  -0.004  1.00  0.00           H  
HETATM   44  H   UNL     1       7.137   3.712   1.440  1.00  0.00           H  
HETATM   45  H   UNL     1       6.330   2.238   1.481  1.00  0.00           H  
HETATM   46  H   UNL     1       6.059   5.564   0.552  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.793   1.234   1.688  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.121  -0.342   2.447  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.585   0.015  -1.148  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.142  -2.010   0.048  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.109  -2.680   1.190  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.540   2.746   1.663  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.973   4.587   1.211  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.245   5.053  -1.092  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.653   1.842  -2.529  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.053   3.192  -3.576  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.741   3.488  -4.055  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.738   4.830  -3.455  1.00  0.00           H  
HETATM   59  H   UNL     1       3.971  -3.836  -3.020  1.00  0.00           H  
HETATM   60  H   UNL     1       3.704  -6.279  -2.190  1.00  0.00           H  
CONECT    1    2    3    4    4                                       
CONECT    2    1    5    6   35                                       
CONECT    3    1   31   31   34                                       
CONECT    4    1    1                                                 
CONECT    5    2   13   36                                            
CONECT    6    2    7   37   38                                       
CONECT    7    6    8   39   40                                       
CONECT    8    7    9   41   42                                       
CONECT    9    8   10   43                                            
CONECT   10    9   11   12   12                                       
CONECT   11   10   44   45                                            
CONECT   12   10   10   46                                            
CONECT   13    5   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   47   48                                       
CONECT   16   15   17   21                                            
CONECT   17   16   18   18   23                                       
CONECT   18   17   17   19                                            
CONECT   19   18   20   20   49                                       
CONECT   20   19   19   21   22                                       
CONECT   21   16   20   30   30                                       
CONECT   22   20   50   51                                            
CONECT   23   17   24   24   28                                       
CONECT   24   23   23   25   52                                       
CONECT   25   24   26   26   53                                       
CONECT   26   25   25   27   54                                       
CONECT   27   26   28   28   29                                       
CONECT   28   23   27   27   55                                       
CONECT   29   27   56   57   58                                       
CONECT   30   21   21                                                 
CONECT   31    3    3   32                                            
CONECT   32   31   33   33   59                                       
CONECT   33   32   32   34   60                                       
CONECT   34    3   33                                                 
CONECT   35    2                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   19                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
