COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.174   0.809  -0.805  1.00  0.00           C  
HETATM    2  C   UNL     1       5.821   1.152  -0.641  1.00  0.00           C  
HETATM    3  C   UNL     1       4.120   2.712  -0.809  1.00  0.00           C  
HETATM    4  C   UNL     1       3.176   1.819  -0.318  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.341   0.797   2.210  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.265   0.882   0.721  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.216   0.024  -0.073  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.492  -0.363  -2.062  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.562  -1.946  -0.267  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.778   0.631  -0.149  1.00  0.00           C  
HETATM   11  O   UNL     1      -5.630  -0.429  -0.364  1.00  0.00           O  
HETATM   12  C   UNL     1      -5.847   0.471   0.419  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.690  -1.160   0.461  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.961  -1.549  -1.530  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.620   0.424  -1.333  1.00  0.00           C  
HETATM   16  N   UNL     1      -4.819   1.104   1.018  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.551   0.737   0.748  1.00  0.00           C  
HETATM   18  S   UNL     1      -3.245  -0.534  -0.357  1.00  0.00           S  
HETATM   19  N   UNL     1      -2.523   1.370   1.348  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.211   0.932   1.136  1.00  0.00           C  
HETATM   21  C   UNL     1       0.955   0.368   2.000  1.00  0.00           C  
HETATM   22  C   UNL     1       0.517   0.198  -0.357  1.00  0.00           C  
HETATM   23  C   UNL     1       1.387   0.068   0.716  1.00  0.00           C  
HETATM   24  O   UNL     1       2.661  -0.357   0.510  1.00  0.00           O  
HETATM   25  C   UNL     1       3.561   0.536   0.029  1.00  0.00           C  
HETATM   26  N   UNL     1       5.380   2.376  -0.956  1.00  0.00           N  
HETATM   27  C   UNL     1       4.920   0.185  -0.134  1.00  0.00           C  
HETATM   28  C   UNL     1       5.385  -1.097   0.196  1.00  0.00           C  
HETATM   29  C   UNL     1       6.704  -1.401   0.025  1.00  0.00           C  
HETATM   30  O   UNL     1       7.155  -2.644   0.345  1.00  0.00           O  
HETATM   31  C   UNL     1       6.194  -3.572   0.851  1.00  0.00           C  
HETATM   32  C   UNL     1       7.599  -0.447  -0.481  1.00  0.00           C  
HETATM   33  O   UNL     1       8.908  -0.774  -0.642  1.00  0.00           O  
HETATM   34  C   UNL     1       9.770   0.240  -1.162  1.00  0.00           C  
HETATM   35  H   UNL     1       7.874   1.535  -1.190  1.00  0.00           H  
HETATM   36  H   UNL     1       3.808   3.711  -1.076  1.00  0.00           H  
HETATM   37  H   UNL     1       2.146   2.125  -0.208  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.677   1.031   3.210  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.406   1.928   0.449  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.461   0.753   1.785  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.804  -0.053  -3.048  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.929  -2.873   0.148  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.453   0.735  -0.985  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.378  -1.470   1.448  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.639  -2.167  -2.101  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.253   1.351  -1.749  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.993   1.824   1.645  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.694   2.130   1.927  1.00  0.00           H  
HETATM   49  H   UNL     1       1.632   0.267   2.835  1.00  0.00           H  
HETATM   50  H   UNL     1       0.854  -0.036  -1.356  1.00  0.00           H  
HETATM   51  H   UNL     1       4.702  -1.839   0.583  1.00  0.00           H  
HETATM   52  H   UNL     1       6.685  -4.522   1.066  1.00  0.00           H  
HETATM   53  H   UNL     1       5.753  -3.176   1.766  1.00  0.00           H  
HETATM   54  H   UNL     1       5.412  -3.727   0.108  1.00  0.00           H  
HETATM   55  H   UNL     1       9.421   0.544  -2.148  1.00  0.00           H  
HETATM   56  H   UNL     1       9.764   1.100  -0.493  1.00  0.00           H  
HETATM   57  H   UNL     1      10.785  -0.152  -1.240  1.00  0.00           H  
CONECT    1   32   32    2   35                                       
CONECT    2   27   27    1   26                                       
CONECT    3    4   26   26   36                                       
CONECT    4   25   25    3   37                                       
CONECT    5   20   20   21   38                                       
CONECT    6   12    7   39   40                                       
CONECT    7    6   13   13   15                                       
CONECT    8   15   15   14   41                                       
CONECT    9   13   14   14   42                                       
CONECT   10   22   22   20   43                                       
CONECT   11   12   12                                                 
CONECT   12   16   11   11    6                                       
CONECT   13    7    7    9   44                                       
CONECT   14    9    9    8   45                                       
CONECT   15    7    8    8   46                                       
CONECT   16   17   12   47                                            
CONECT   17   18   18   19   16                                       
CONECT   18   17   17                                                 
CONECT   19   20   17   48                                            
CONECT   20   10   19    5    5                                       
CONECT   21   23   23    5   49                                       
CONECT   22   10   10   23   50                                       
CONECT   23   22   24   21   21                                       
CONECT   24   25   23                                                 
CONECT   25   24   27    4    4                                       
CONECT   26    2    3    3                                            
CONECT   27   28   25    2    2                                       
CONECT   28   29   29   27   51                                       
CONECT   29   30   28   28   32                                       
CONECT   30   31   29                                                 
CONECT   31   30   52   53   54                                       
CONECT   32   29   33    1    1                                       
CONECT   33   32   34                                                 
CONECT   34   33   55   56   57                                       
CONECT   35    1                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   19                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   28                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
CONECT   54   31                                                      
CONECT   55   34                                                      
CONECT   56   34                                                      
CONECT   57   34                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
