COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.340  -4.445   1.086  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.338  -5.821   1.230  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.418  -6.574   0.522  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.547  -6.002  -0.286  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.511  -4.696  -0.456  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.404  -3.866   0.222  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.367  -2.402   0.026  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.475  -1.866  -0.796  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.515  -0.388  -1.090  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.826  -0.186  -2.470  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.171   0.221  -0.783  1.00  0.00           C  
HETATM   12  S   UNL     1      -0.778   0.064  -1.763  1.00  0.00           S  
HETATM   13  C   UNL     1       0.143   1.046  -0.626  1.00  0.00           C  
HETATM   14  C   UNL     1       1.595   1.425  -0.756  1.00  0.00           C  
HETATM   15  C   UNL     1       2.462   0.363  -0.076  1.00  0.00           C  
HETATM   16  O   UNL     1       3.840   0.723  -0.200  1.00  0.00           O  
HETATM   17  P   UNL     1       5.037  -0.170   0.402  1.00  0.00           P  
HETATM   18  O   UNL     1       4.932  -0.194   2.009  1.00  0.00           O  
HETATM   19  O   UNL     1       4.933  -1.551  -0.120  1.00  0.00           O  
HETATM   20  O   UNL     1       6.451   0.464  -0.034  1.00  0.00           O  
HETATM   21  P   UNL     1       7.952  -0.111  -0.129  1.00  0.00           P  
HETATM   22  O   UNL     1       7.931  -1.442  -0.775  1.00  0.00           O  
HETATM   23  O   UNL     1       8.857   0.896  -1.001  1.00  0.00           O  
HETATM   24  O   UNL     1       8.571  -0.243   1.352  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.675   1.395   0.372  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.226   2.244   1.534  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.906   0.942   0.254  1.00  0.00           N1+
HETATM   28  C   UNL     1      -2.930   1.239   1.259  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.724   2.444   0.825  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.113   3.670   0.652  1.00  0.00           C  
HETATM   31  N   UNL     1      -3.843   4.709   0.270  1.00  0.00           N  
HETATM   32  C   UNL     1      -5.137   4.586   0.055  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.926   5.795  -0.378  1.00  0.00           C  
HETATM   34  N   UNL     1      -5.761   3.436   0.207  1.00  0.00           N  
HETATM   35  C   UNL     1      -5.096   2.348   0.583  1.00  0.00           C  
HETATM   36  N   UNL     1      -5.756   1.140   0.743  1.00  0.00           N  
HETATM   37  H   UNL     1      -6.050  -3.833   1.624  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.045  -6.302   1.889  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.414  -7.648   0.633  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.783  -4.264  -1.127  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.066  -1.769   0.552  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.721  -2.488  -1.255  1.00  0.00           H  
HETATM   43  H   UNL     1       1.861   1.489  -1.811  1.00  0.00           H  
HETATM   44  H   UNL     1       1.763   2.391  -0.280  1.00  0.00           H  
HETATM   45  H   UNL     1       2.197   0.299   0.979  1.00  0.00           H  
HETATM   46  H   UNL     1       2.295  -0.603  -0.553  1.00  0.00           H  
HETATM   47  H   UNL     1       4.993   0.678   2.420  1.00  0.00           H  
HETATM   48  H   UNL     1       9.777   0.612  -1.100  1.00  0.00           H  
HETATM   49  H   UNL     1       8.615   0.594   1.836  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.307   3.297   1.267  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.858   2.039   2.398  1.00  0.00           H  
HETATM   52  H   UNL     1       0.810   2.009   1.777  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.596   0.383   1.363  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.450   1.445   2.216  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.053   3.782   0.826  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.930   5.856  -1.467  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.950   5.711  -0.015  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.467   6.695   0.033  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.677   1.048   0.454  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.296   0.385   1.143  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.278   0.085  -0.473  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.187  -0.581  -3.079  1.00  0.00           H  
CONECT    1    6   37    2    2                                       
CONECT    2    1    1    3   38                                       
CONECT    3    2    4    4   39                                       
CONECT    4    3    3    5                                            
CONECT    5    4   40    6    6                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6   41    8    8                                       
CONECT    8    7    7    9   42                                       
CONECT    9    8   11   10   61                                       
CONECT   10    9   62                                                 
CONECT   11    9   27   27   12                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   25   25                                       
CONECT   14   13   15   43   44                                       
CONECT   15   14   16   45   46                                       
CONECT   16   15   17                                                 
CONECT   17   16   18   19   19                                       
CONECT   17   20                                                      
CONECT   18   17   47                                                 
CONECT   19   17   17                                                 
CONECT   20   17   21                                                 
CONECT   21   20   24   23   22                                       
CONECT   21   22                                                      
CONECT   22   21   21                                                 
CONECT   23   21   48                                                 
CONECT   24   21   49                                                 
CONECT   25   13   13   26   27                                       
CONECT   26   25   50   51   52                                       
CONECT   27   11   11   25   28                                       
CONECT   28   27   53   54   29                                       
CONECT   29   28   30   35   35                                       
CONECT   30   29   55   31   31                                       
CONECT   31   30   30   32                                            
CONECT   32   31   33   34   34                                       
CONECT   33   32   56   57   58                                       
CONECT   34   32   32   35                                            
CONECT   35   34   29   29   36                                       
CONECT   36   35   59   60                                            
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   18                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   30                                                      
CONECT   56   33                                                      
CONECT   57   33                                                      
CONECT   58   33                                                      
CONECT   59   36                                                      
CONECT   60   36                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
