COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.015   0.279  -8.073  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.485   1.330  -8.684  1.00  0.00           N  
HETATM    3  N   UNL     1       0.341  -0.837  -8.798  1.00  0.00           N  
HETATM    4  C   UNL     1       0.136   0.284  -6.602  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.224   1.415  -5.867  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.083   1.417  -4.497  1.00  0.00           C  
HETATM    7  C   UNL     1       0.418   0.295  -3.846  1.00  0.00           C  
HETATM    8  N   UNL     1       0.560   0.300  -2.461  1.00  0.00           N  
HETATM    9  C   UNL     1       1.088  -0.881  -1.774  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.191  -0.098   4.249  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.241   0.139   5.737  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.453   1.414   6.226  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.499   1.633   7.590  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.332   0.576   8.465  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.080  -0.918   6.612  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.121  -0.699   7.976  1.00  0.00           C  
HETATM   17  C   UNL     1       1.105  -0.632  -0.288  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.057  -0.480   1.811  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.072  -0.709   0.441  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.276  -1.017  -0.202  1.00  0.00           N  
HETATM   21  S   UNL     1      -2.688  -0.312   0.298  1.00  0.00           S  
HETATM   22  C   UNL     1      -2.367   1.458   0.074  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.634  -0.796  -0.644  1.00  0.00           O  
HETATM   24  O   UNL     1      -2.745  -0.664   1.674  1.00  0.00           O  
HETATM   25  C   UNL     1       1.135  -0.180   2.448  1.00  0.00           C  
HETATM   26  O   UNL     1       1.153   0.044   3.789  1.00  0.00           O  
HETATM   27  C   UNL     1       2.295  -0.328   0.346  1.00  0.00           C  
HETATM   28  C   UNL     1       2.314  -0.099   1.712  1.00  0.00           C  
HETATM   29  O   UNL     1       3.486   0.199   2.336  1.00  0.00           O  
HETATM   30  C   UNL     1       4.500   0.202   1.329  1.00  0.00           C  
HETATM   31  C   UNL     1       0.783  -0.830  -4.577  1.00  0.00           C  
HETATM   32  C   UNL     1       0.639  -0.840  -5.947  1.00  0.00           C  
HETATM   33  H   UNL     1      -0.584   1.326  -9.649  1.00  0.00           H  
HETATM   34  H   UNL     1       0.242  -0.841  -9.763  1.00  0.00           H  
HETATM   35  H   UNL     1       0.691  -1.619  -8.344  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.614   2.286  -6.371  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.362   2.291  -3.927  1.00  0.00           H  
HETATM   38  H   UNL     1       0.309   1.086  -1.950  1.00  0.00           H  
HETATM   39  H   UNL     1       2.102  -1.080  -2.121  1.00  0.00           H  
HETATM   40  H   UNL     1       0.454  -1.741  -1.991  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.827   0.628   3.744  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.545  -1.105   4.030  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.583   2.240   5.542  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.664   2.629   7.972  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.367   0.746   9.531  1.00  0.00           H  
HETATM   46  H   UNL     1       0.085  -1.915   6.229  1.00  0.00           H  
HETATM   47  H   UNL     1       0.009  -1.525   8.660  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.973  -0.539   2.379  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.283  -1.645  -0.942  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.245   2.028   0.378  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.513   1.753   0.684  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.149   1.658  -0.974  1.00  0.00           H  
HETATM   53  H   UNL     1       3.211  -0.269  -0.223  1.00  0.00           H  
HETATM   54  H   UNL     1       5.462   0.438   1.784  1.00  0.00           H  
HETATM   55  H   UNL     1       4.551  -0.780   0.862  1.00  0.00           H  
HETATM   56  H   UNL     1       4.261   0.952   0.575  1.00  0.00           H  
HETATM   57  H   UNL     1       1.172  -1.701  -4.070  1.00  0.00           H  
HETATM   58  H   UNL     1       0.918  -1.716  -6.514  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1   33                                            
CONECT    3    1   34   35                                            
CONECT    4    1    5    5   32                                       
CONECT    5    4    4    6   36                                       
CONECT    6    5    7    7   37                                       
CONECT    7    6    6    8   31                                       
CONECT    8    7    9   38                                            
CONECT    9    8   17   39   40                                       
CONECT   10   11   26   41   42                                       
CONECT   11   10   12   12   15                                       
CONECT   12   11   11   13   43                                       
CONECT   13   12   14   14   44                                       
CONECT   14   13   13   16   45                                       
CONECT   15   11   16   16   46                                       
CONECT   16   14   15   15   47                                       
CONECT   17    9   19   19   27                                       
CONECT   18   19   25   25   48                                       
CONECT   19   17   17   18   20                                       
CONECT   20   19   21   49                                            
CONECT   21   20   22   23   23                                       
CONECT   21   24   24                                                 
CONECT   22   21   50   51   52                                       
CONECT   23   21   21                                                 
CONECT   24   21   21                                                 
CONECT   25   18   18   26   28                                       
CONECT   26   10   25                                                 
CONECT   27   17   28   28   53                                       
CONECT   28   25   27   27   29                                       
CONECT   29   28   30                                                 
CONECT   30   29   54   55   56                                       
CONECT   31    7   32   32   57                                       
CONECT   32    4   31   31   58                                       
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   18                                                      
CONECT   49   20                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   27                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
