COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.307   1.180   0.356  1.00  0.00           C  
HETATM    2  C   UNL     1       6.885   1.875  -0.776  1.00  0.00           C  
HETATM    3  C   UNL     1       5.661   1.580  -1.359  1.00  0.00           C  
HETATM    4  C   UNL     1       4.856   0.599  -0.822  1.00  0.00           C  
HETATM    5  C   UNL     1       5.273  -0.101   0.313  1.00  0.00           C  
HETATM    6  C   UNL     1       6.505   0.195   0.900  1.00  0.00           C  
HETATM    7  C   UNL     1       4.412  -1.153   0.890  1.00  0.00           C  
HETATM    8  N   UNL     1       3.223  -1.437   0.323  1.00  0.00           N  
HETATM    9  C   UNL     1       2.369  -2.480   0.896  1.00  0.00           C  
HETATM   10  C   UNL     1       1.107  -2.601   0.081  1.00  0.00           C  
HETATM   11  C   UNL     1       1.059  -3.473  -0.992  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.096  -3.590  -1.745  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.207  -2.835  -1.432  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.165  -1.952  -0.351  1.00  0.00           C  
HETATM   15  C   UNL     1       0.001  -1.844   0.409  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.352  -1.140  -0.009  1.00  0.00           C  
HETATM   17  O   UNL     1      -2.312  -0.372   0.933  1.00  0.00           O  
HETATM   18  O   UNL     1       8.510   1.467   0.922  1.00  0.00           O  
HETATM   19  C   UNL     1       8.881   0.711   2.077  1.00  0.00           C  
HETATM   20  O   UNL     1       7.675   2.843  -1.310  1.00  0.00           O  
HETATM   21  C   UNL     1       7.181   3.516  -2.470  1.00  0.00           C  
HETATM   22  O   UNL     1       4.776  -1.762   1.878  1.00  0.00           O  
HETATM   23  C   UNL     1      -6.689   0.276  -0.624  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.334   1.019   0.441  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.239   2.009   1.134  1.00  0.00           C  
HETATM   26  N   UNL     1      -8.626   1.743   0.717  1.00  0.00           N  
HETATM   27  C   UNL     1      -8.729   1.668  -0.747  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.076   0.373  -1.242  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.477  -1.250  -0.742  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.592  -0.487  -0.421  1.00  0.00           C  
HETATM   31  S   UNL     1      -4.672   0.637   0.864  1.00  0.00           S  
HETATM   32  N   UNL     1      -5.719  -0.516  -1.057  1.00  0.00           N  
HETATM   33  C   UNL     1      -9.541   2.757   1.258  1.00  0.00           C  
HETATM   34  H   UNL     1       5.337   2.122  -2.236  1.00  0.00           H  
HETATM   35  H   UNL     1       3.904   0.372  -1.278  1.00  0.00           H  
HETATM   36  H   UNL     1       6.833  -0.348   1.774  1.00  0.00           H  
HETATM   37  H   UNL     1       2.933  -0.951  -0.465  1.00  0.00           H  
HETATM   38  H   UNL     1       2.901  -3.432   0.885  1.00  0.00           H  
HETATM   39  H   UNL     1       2.115  -2.218   1.923  1.00  0.00           H  
HETATM   40  H   UNL     1       1.926  -4.066  -1.242  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.127  -4.273  -2.582  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.107  -2.926  -2.021  1.00  0.00           H  
HETATM   43  H   UNL     1       0.040  -1.164   1.247  1.00  0.00           H  
HETATM   44  H   UNL     1       8.142   0.865   2.864  1.00  0.00           H  
HETATM   45  H   UNL     1       8.923  -0.347   1.820  1.00  0.00           H  
HETATM   46  H   UNL     1       9.859   1.040   2.427  1.00  0.00           H  
HETATM   47  H   UNL     1       6.237   4.006  -2.232  1.00  0.00           H  
HETATM   48  H   UNL     1       7.907   4.262  -2.793  1.00  0.00           H  
HETATM   49  H   UNL     1       7.024   2.792  -3.270  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.152   1.890   2.214  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.959   3.023   0.850  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.779   1.679  -1.038  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.220   2.523  -1.191  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.995   0.395  -2.329  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.677  -0.483  -0.934  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.509  -1.863  -1.493  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.292   3.732   0.838  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.567   2.499   0.994  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.443   2.793   2.343  1.00  0.00           H  
CONECT    1    2    2    6   18                                       
CONECT    2    3   20    1    1                                       
CONECT    3    4    4    2   34                                       
CONECT    4    3    3    5   35                                       
CONECT    5    4    7    6    6                                       
CONECT    6    5    5    1   36                                       
CONECT    7   22   22    5    8                                       
CONECT    8    7    9   37                                            
CONECT    9   10    8   38   39                                       
CONECT   10   11   11   15    9                                       
CONECT   11   12   10   10   40                                       
CONECT   12   13   13   11   41                                       
CONECT   13   12   12   14   42                                       
CONECT   14   13   16   15   15                                       
CONECT   15   14   14   10   43                                       
CONECT   16   17   17   14   29                                       
CONECT   17   16   16                                                 
CONECT   18    1   19                                                 
CONECT   19   18   44   45   46                                       
CONECT   20   21    2                                                 
CONECT   21   20   47   48   49                                       
CONECT   22    7    7                                                 
CONECT   23   24   24   32   28                                       
CONECT   24   31   25   23   23                                       
CONECT   25   24   26   50   51                                       
CONECT   26   25   27   33                                            
CONECT   27   28   26   52   53                                       
CONECT   28   23   27   54   55                                       
CONECT   29   16   30   56                                            
CONECT   30   31   29   32   32                                       
CONECT   31   30   24                                                 
CONECT   32   30   30   23                                            
CONECT   33   26   57   58   59                                       
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   15                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   33                                                      
CONECT   58   33                                                      
CONECT   59   33                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
