COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      12.076   0.830   1.859  1.00  0.00           N  
HETATM    2  C   UNL     1      10.795   1.034   1.987  1.00  0.00           C  
HETATM    3  N   UNL     1      10.299   1.589   3.143  1.00  0.00           N  
HETATM    4  N   UNL     1       9.939   0.695   0.966  1.00  0.00           N  
HETATM    5  C   UNL     1       8.500   0.924   1.110  1.00  0.00           C  
HETATM    6  C   UNL     1       7.780   0.463  -0.159  1.00  0.00           C  
HETATM    7  C   UNL     1       6.277   0.702  -0.009  1.00  0.00           C  
HETATM    8  C   UNL     1       5.557   0.241  -1.278  1.00  0.00           C  
HETATM    9  N   UNL     1       5.973   1.080  -2.409  1.00  0.00           N  
HETATM   10  C   UNL     1       4.068   0.362  -1.083  1.00  0.00           C  
HETATM   11  N   UNL     1       3.272  -0.629  -0.882  1.00  0.00           N  
HETATM   12  C   UNL     1       1.984  -0.350  -0.729  1.00  0.00           C  
HETATM   13  S   UNL     1       3.202   1.835  -1.093  1.00  0.00           S  
HETATM   14  C   UNL     1       1.695   0.968  -0.810  1.00  0.00           C  
HETATM   15  C   UNL     1       0.958  -1.386  -0.492  1.00  0.00           C  
HETATM   16  O   UNL     1       1.189  -2.707  -0.397  1.00  0.00           O  
HETATM   17  C   UNL     1       0.010  -3.320  -0.173  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.210  -4.800   0.001  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.943  -2.352  -0.134  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.325  -1.166  -0.334  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.390  -2.558   0.088  1.00  0.00           C  
HETATM   22  S   UNL     1      -3.167  -4.116   0.347  1.00  0.00           S  
HETATM   23  C   UNL     1      -4.730  -3.315   0.487  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.539  -1.987   0.332  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.284  -1.616   0.127  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.650  -1.016   0.393  1.00  0.00           C  
HETATM   27  O   UNL     1      -6.942  -1.319   0.608  1.00  0.00           O  
HETATM   28  C   UNL     1      -7.648  -0.172   0.599  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.135  -0.036   0.800  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.767   0.839   0.375  1.00  0.00           C  
HETATM   31  N   UNL     1      -5.535   0.283   0.251  1.00  0.00           N  
HETATM   32  C   UNL     1       5.867   0.345  -3.677  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.092   2.277   0.283  1.00  0.00           C  
HETATM   34  O   UNL     1      -6.211   3.268   0.061  1.00  0.00           O  
HETATM   35  N   UNL     1      -8.290   2.802   0.398  1.00  0.00           N  
HETATM   36  C   UNL     1      -8.190   4.134   0.258  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.896   4.430   0.047  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.317   5.806  -0.165  1.00  0.00           C  
HETATM   39  H   UNL     1      12.680   1.070   2.579  1.00  0.00           H  
HETATM   40  H   UNL     1      10.903   1.828   3.864  1.00  0.00           H  
HETATM   41  H   UNL     1       9.346   1.740   3.239  1.00  0.00           H  
HETATM   42  H   UNL     1      10.289   0.304   0.150  1.00  0.00           H  
HETATM   43  H   UNL     1       8.126   0.361   1.965  1.00  0.00           H  
HETATM   44  H   UNL     1       8.315   1.987   1.266  1.00  0.00           H  
HETATM   45  H   UNL     1       8.154   1.026  -1.014  1.00  0.00           H  
HETATM   46  H   UNL     1       7.965  -0.600  -0.316  1.00  0.00           H  
HETATM   47  H   UNL     1       5.903   0.139   0.846  1.00  0.00           H  
HETATM   48  H   UNL     1       6.092   1.765   0.147  1.00  0.00           H  
HETATM   49  H   UNL     1       5.813  -0.799  -1.483  1.00  0.00           H  
HETATM   50  H   UNL     1       6.909   1.433  -2.273  1.00  0.00           H  
HETATM   51  H   UNL     1       0.714   1.411  -0.715  1.00  0.00           H  
HETATM   52  H   UNL     1       0.743  -5.322  -0.082  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.645  -4.990   0.982  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.889  -5.160  -0.773  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.678  -3.802   0.666  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.572  -1.021   0.958  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.328   0.591   1.671  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.581   0.423  -0.082  1.00  0.00           H  
HETATM   59  H   UNL     1       6.254   0.962  -4.488  1.00  0.00           H  
HETATM   60  H   UNL     1       6.446  -0.576  -3.613  1.00  0.00           H  
HETATM   61  H   UNL     1       4.821   0.105  -3.871  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.005   4.841   0.303  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.035   6.233   0.797  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.437   5.735  -0.804  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.062   6.443  -0.641  1.00  0.00           H  
CONECT    1    2    2   39                                            
CONECT    2    4    1    1    3                                       
CONECT    3    2   40   41                                            
CONECT    4    5    2   42                                            
CONECT    5    6    4   43   44                                       
CONECT    6    7    5   45   46                                       
CONECT    7    8    6   47   48                                       
CONECT    8    9   10    7   49                                       
CONECT    9   32    8   50                                            
CONECT   10   11   11    8   13                                       
CONECT   11   12   10   10                                            
CONECT   12   15   11   14   14                                       
CONECT   13   10   14                                                 
CONECT   14   12   12   13   51                                       
CONECT   15   16   20   20   12                                       
CONECT   16   17   15                                                 
CONECT   17   18   16   19   19                                       
CONECT   18   17   52   53   54                                       
CONECT   19   17   17   21   20                                       
CONECT   20   19   15   15                                            
CONECT   21   25   25   19   22                                       
CONECT   22   21   23                                                 
CONECT   23   24   24   22   55                                       
CONECT   24   26   25   23   23                                       
CONECT   25   24   21   21                                            
CONECT   26   27   31   31   24                                       
CONECT   27   28   26                                                 
CONECT   28   29   27   30   30                                       
CONECT   29   28   56   57   58                                       
CONECT   30   28   28   33   31                                       
CONECT   31   30   26   26                                            
CONECT   32    9   59   60   61                                       
CONECT   33   35   35   30   34                                       
CONECT   34   37   33                                                 
CONECT   35   36   33   33                                            
CONECT   36   35   37   37   62                                       
CONECT   37   36   36   38   34                                       
CONECT   38   37   63   64   65                                       
CONECT   39    1                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   14                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   23                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   29                                                      
CONECT   59   32                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
CONECT   62   36                                                      
CONECT   63   38                                                      
CONECT   64   38                                                      
CONECT   65   38                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
