COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.444   0.825  -3.610  1.00  0.00           C  
HETATM    2  C   UNL     1       3.478   0.398  -4.401  1.00  0.00           C  
HETATM    3  C   UNL     1       3.348  -0.722  -5.215  1.00  0.00           C  
HETATM    4  O   UNL     1       4.385  -1.129  -5.994  1.00  0.00           O  
HETATM    5  C   UNL     1       2.150  -1.419  -5.225  1.00  0.00           C  
HETATM    6  C   UNL     1       1.106  -0.994  -4.430  1.00  0.00           C  
HETATM    7  S   UNL     1      -0.542  -1.590  -4.161  1.00  0.00           S  
HETATM    8  C   UNL     1      -1.096  -0.382  -2.975  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.411  -0.284  -2.314  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.969  -1.406  -1.694  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.197  -1.310  -1.078  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.881  -0.100  -1.073  1.00  0.00           C  
HETATM   13  O   UNL     1      -6.092  -0.010  -0.464  1.00  0.00           O  
HETATM   14  C   UNL     1      -4.333   1.015  -1.693  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.103   0.930  -2.307  1.00  0.00           C  
HETATM   16  C   UNL     1       1.211   0.135  -3.598  1.00  0.00           C  
HETATM   17  C   UNL     1       0.005   0.449  -2.826  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.033   1.600  -1.923  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.392   2.687  -2.338  1.00  0.00           O  
HETATM   20  C   UNL     1       0.362   1.442  -0.509  1.00  0.00           C  
HETATM   21  C   UNL     1       0.431   2.559   0.326  1.00  0.00           C  
HETATM   22  C   UNL     1       0.800   2.408   1.645  1.00  0.00           C  
HETATM   23  C   UNL     1       1.103   1.147   2.143  1.00  0.00           C  
HETATM   24  C   UNL     1       1.034   0.033   1.315  1.00  0.00           C  
HETATM   25  C   UNL     1       0.661   0.175  -0.002  1.00  0.00           C  
HETATM   26  O   UNL     1       1.466   1.002   3.443  1.00  0.00           O  
HETATM   27  C   UNL     1       1.828  -0.368   3.621  1.00  0.00           C  
HETATM   28  C   UNL     1       2.308  -0.587   5.057  1.00  0.00           C  
HETATM   29  N   UNL     1       1.230  -0.240   5.992  1.00  0.00           N  
HETATM   30  C   UNL     1       1.752  -0.471   7.343  1.00  0.00           C  
HETATM   31  C   UNL     1       0.677  -0.137   8.378  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.530  -1.055   8.165  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.012  -0.915   6.718  1.00  0.00           C  
HETATM   34  C   UNL     1       0.151  -1.209   5.769  1.00  0.00           C  
HETATM   35  H   UNL     1       2.573   1.698  -2.987  1.00  0.00           H  
HETATM   36  H   UNL     1       4.411   0.942  -4.393  1.00  0.00           H  
HETATM   37  H   UNL     1       4.292  -0.677  -6.843  1.00  0.00           H  
HETATM   38  H   UNL     1       2.035  -2.291  -5.851  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.437  -2.346  -1.697  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.628  -2.176  -0.598  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.922   0.163   0.471  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.869   1.953  -1.687  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.676   1.799  -2.784  1.00  0.00           H  
HETATM   44  H   UNL     1       0.197   3.540  -0.060  1.00  0.00           H  
HETATM   45  H   UNL     1       0.854   3.271   2.292  1.00  0.00           H  
HETATM   46  H   UNL     1       1.270  -0.945   1.706  1.00  0.00           H  
HETATM   47  H   UNL     1       0.608  -0.690  -0.646  1.00  0.00           H  
HETATM   48  H   UNL     1       0.962  -1.000   3.427  1.00  0.00           H  
HETATM   49  H   UNL     1       2.629  -0.625   2.927  1.00  0.00           H  
HETATM   50  H   UNL     1       2.584  -1.633   5.192  1.00  0.00           H  
HETATM   51  H   UNL     1       3.175   0.045   5.251  1.00  0.00           H  
HETATM   52  H   UNL     1       2.042  -1.517   7.445  1.00  0.00           H  
HETATM   53  H   UNL     1       2.624   0.162   7.507  1.00  0.00           H  
HETATM   54  H   UNL     1       1.077  -0.287   9.381  1.00  0.00           H  
HETATM   55  H   UNL     1       0.369   0.902   8.260  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.239  -2.089   8.355  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.331  -0.769   8.846  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.820  -1.623   6.533  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.371   0.099   6.550  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.194  -1.136   4.738  1.00  0.00           H  
HETATM   61  H   UNL     1       0.525  -2.216   5.955  1.00  0.00           H  
CONECT    1    2    2   16   35                                       
CONECT    2    1    1    3   36                                       
CONECT    3    2    4    5    5                                       
CONECT    4    3   37                                                 
CONECT    5    3    3    6   38                                       
CONECT    6    5    7   16   16                                       
CONECT    7    6    8                                                 
CONECT    8    7    9   17   17                                       
CONECT    9    8   10   15   15                                       
CONECT   10    9   11   11   39                                       
CONECT   11   10   10   12   40                                       
CONECT   12   11   13   14   14                                       
CONECT   13   12   41                                                 
CONECT   14   12   12   15   42                                       
CONECT   15    9    9   14   43                                       
CONECT   16    1    6    6   17                                       
CONECT   17    8    8   16   18                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   21   25                                       
CONECT   21   20   20   22   44                                       
CONECT   22   21   23   23   45                                       
CONECT   23   22   22   24   26                                       
CONECT   24   23   25   25   46                                       
CONECT   25   20   24   24   47                                       
CONECT   26   23   27                                                 
CONECT   27   26   28   48   49                                       
CONECT   28   27   29   50   51                                       
CONECT   29   28   30   34                                            
CONECT   30   29   31   52   53                                       
CONECT   31   30   32   54   55                                       
CONECT   32   31   33   56   57                                       
CONECT   33   32   34   58   59                                       
CONECT   34   29   33   60   61                                       
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
CONECT   57   32                                                      
CONECT   58   33                                                      
CONECT   59   33                                                      
CONECT   60   34                                                      
CONECT   61   34                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
