COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.470  -0.458  -1.033  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.826  -0.714  -1.051  1.00  0.00           C  
HETATM    3  C   UNL     1       3.936   0.311   0.209  1.00  0.00           C  
HETATM    4  C   UNL     1       0.477  -0.750   1.281  1.00  0.00           C  
HETATM    5  C   UNL     1       1.834  -0.498   1.298  1.00  0.00           C  
HETATM    6  C   UNL     1       1.720   0.323  -0.953  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.267  -0.470   0.136  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.739   1.887   0.315  1.00  0.00           C  
HETATM    9  O   UNL     1      -5.475   3.076  -0.251  1.00  0.00           O  
HETATM   10  O   UNL     1      -5.076   1.502   1.249  1.00  0.00           O  
HETATM   11  C   UNL     1      -6.861   1.032  -0.215  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.181   1.797  -0.101  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.095   3.088  -0.916  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.321   0.929  -0.639  1.00  0.00           C  
HETATM   15  N   UNL     1      -6.943  -0.204   0.566  1.00  0.00           N  
HETATM   16  S   UNL     1      -6.178  -1.573   0.032  1.00  0.00           S  
HETATM   17  O   UNL     1      -6.417  -2.574   1.013  1.00  0.00           O  
HETATM   18  O   UNL     1      -6.534  -1.724  -1.335  1.00  0.00           O  
HETATM   19  C   UNL     1      -4.447  -1.248   0.063  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.713  -1.529   1.202  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.357  -1.276   1.232  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.726  -0.738   0.112  1.00  0.00           C  
HETATM   23  C   UNL     1       2.454   0.038   0.184  1.00  0.00           C  
HETATM   24  C   UNL     1       0.364   0.064  -0.985  1.00  0.00           C  
HETATM   25  S   UNL     1       4.829  -1.153  -0.370  1.00  0.00           S  
HETATM   26  C   UNL     1       6.487  -0.570  -0.241  1.00  0.00           C  
HETATM   27  N   UNL     1       6.712   0.651   0.199  1.00  0.00           N  
HETATM   28  C   UNL     1       7.950   1.136   0.313  1.00  0.00           C  
HETATM   29  C   UNL     1       8.431   2.490   0.790  1.00  0.00           C  
HETATM   30  C   UNL     1       9.887   2.599   0.288  1.00  0.00           C  
HETATM   31  C   UNL     1      10.306   1.116   0.183  1.00  0.00           C  
HETATM   32  C   UNL     1       9.016   0.358  -0.031  1.00  0.00           C  
HETATM   33  C   UNL     1       8.786  -0.948  -0.502  1.00  0.00           C  
HETATM   34  N   UNL     1       7.515  -1.392  -0.593  1.00  0.00           N  
HETATM   35  O   UNL     1       9.719  -1.668  -0.817  1.00  0.00           O  
HETATM   36  H   UNL     1      -1.985  -0.045  -1.905  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.403  -0.497  -1.938  1.00  0.00           H  
HETATM   38  H   UNL     1       4.161   1.155  -0.443  1.00  0.00           H  
HETATM   39  H   UNL     1       4.245   0.546   1.227  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.007  -1.168   2.151  1.00  0.00           H  
HETATM   41  H   UNL     1       2.412  -0.719   2.183  1.00  0.00           H  
HETATM   42  H   UNL     1       2.210   0.741  -1.820  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.746   3.588   0.124  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.670   0.790  -1.261  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.372   2.039   0.945  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.905   2.846  -1.962  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.036   3.633  -0.835  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.283   3.707  -0.533  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.382   0.009  -0.058  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.262   1.473  -0.558  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.131   0.687  -1.685  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.446  -0.222   1.395  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.203  -1.946   2.069  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.785  -1.495   2.122  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.207   0.283  -1.875  1.00  0.00           H  
HETATM   56  H   UNL     1       7.821   3.282   0.356  1.00  0.00           H  
HETATM   57  H   UNL     1       9.926   3.083  -0.688  1.00  0.00           H  
HETATM   58  H   UNL     1      10.975   0.971  -0.666  1.00  0.00           H  
HETATM   59  H   UNL     1       8.401   2.540   1.878  1.00  0.00           H  
HETATM   60  H   UNL     1      10.509   3.128   1.010  1.00  0.00           H  
HETATM   61  H   UNL     1      10.789   0.793   1.105  1.00  0.00           H  
HETATM   62  H   UNL     1       7.334  -2.291  -0.911  1.00  0.00           H  
CONECT    1    2    2   22   36                                       
CONECT    2   19    1    1   37                                       
CONECT    3   23   25   38   39                                       
CONECT    4    7    7    5   40                                       
CONECT    5    4   23   23   41                                       
CONECT    6   24   24   23   42                                       
CONECT    7   22    4    4   24                                       
CONECT    8   11   10   10    9                                       
CONECT    9    8   43                                                 
CONECT   10    8    8                                                 
CONECT   11   12   15    8   44                                       
CONECT   12   14   13   11   45                                       
CONECT   13   12   46   47   48                                       
CONECT   14   12   49   50   51                                       
CONECT   15   11   16   52                                            
CONECT   16   15   17   17   18                                       
CONECT   16   18   19                                                 
CONECT   17   16   16                                                 
CONECT   18   16   16                                                 
CONECT   19   16   20   20    2                                       
CONECT   20   19   19   21   53                                       
CONECT   21   20   22   22   54                                       
CONECT   22   21   21    1    7                                       
CONECT   23    5    5    6    3                                       
CONECT   24    7    6    6   55                                       
CONECT   25    3   26                                                 
CONECT   26   25   27   27   34                                       
CONECT   27   26   26   28                                            
CONECT   28   27   29   32   32                                       
CONECT   29   28   30   56   59                                       
CONECT   30   29   31   57   60                                       
CONECT   31   32   30   58   61                                       
CONECT   32   28   28   33   31                                       
CONECT   33   34   32   35   35                                       
CONECT   34   26   33   62                                            
CONECT   35   33   33                                                 
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   24                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   29                                                      
CONECT   60   30                                                      
CONECT   61   31                                                      
CONECT   62   34                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
