COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.829   2.403   1.111  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.842   1.588  -0.156  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.019   1.412  -0.852  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.032   0.661  -2.020  1.00  0.00           C  
HETATM    5  O   UNL     1      -6.194   0.490  -2.703  1.00  0.00           O  
HETATM    6  C   UNL     1      -3.860   0.083  -2.493  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.679   0.253  -1.804  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.660   1.013  -0.630  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.398   1.202   0.108  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.785   0.229   0.799  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.298  -1.149   0.905  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.690  -2.181   0.184  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.173  -3.467   0.287  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.262  -3.739   1.105  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.734  -5.009   1.204  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.868  -2.717   1.824  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.389  -1.429   1.732  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.044  -0.322   2.518  1.00  0.00           C  
HETATM   19  C   UNL     1       0.517   0.714   1.470  1.00  0.00           C  
HETATM   20  S   UNL     1      -0.028   2.433   1.926  1.00  0.00           S  
HETATM   21  O   UNL     1       1.113   3.265   2.086  1.00  0.00           O  
HETATM   22  C   UNL     1      -0.631   2.540   0.166  1.00  0.00           C  
HETATM   23  C   UNL     1       0.693   2.160  -0.582  1.00  0.00           C  
HETATM   24  C   UNL     1       1.390   1.047   0.212  1.00  0.00           C  
HETATM   25  S   UNL     1       1.559  -0.431  -0.826  1.00  0.00           S  
HETATM   26  O   UNL     1       2.062  -1.520  -0.064  1.00  0.00           O  
HETATM   27  O   UNL     1       0.420  -0.586  -1.661  1.00  0.00           O  
HETATM   28  O   UNL     1       2.688  -0.093  -1.788  1.00  0.00           O  
HETATM   29  C   UNL     1       3.925  -0.134  -1.226  1.00  0.00           C  
HETATM   30  C   UNL     1       4.652  -1.316  -1.234  1.00  0.00           C  
HETATM   31  C   UNL     1       5.909  -1.357  -0.662  1.00  0.00           C  
HETATM   32  C   UNL     1       6.444  -0.218  -0.080  1.00  0.00           C  
HETATM   33  O   UNL     1       7.681  -0.259   0.483  1.00  0.00           O  
HETATM   34  C   UNL     1       5.718   0.963  -0.073  1.00  0.00           C  
HETATM   35  C   UNL     1       4.463   1.007  -0.649  1.00  0.00           C  
HETATM   36  H   UNL     1      -4.144   1.780   1.948  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.821   2.775   1.294  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.514   3.246   1.008  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.932   1.860  -0.489  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.361   1.169  -3.371  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.875  -0.501  -3.401  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.768  -0.197  -2.172  1.00  0.00           H  
HETATM   43  H   UNL     1       0.156  -1.970  -0.453  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.705  -4.265  -0.271  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.324  -5.528   1.909  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.715  -2.934   2.459  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.908   0.052   1.968  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.368  -0.706   3.485  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.331   0.488   2.669  1.00  0.00           H  
HETATM   50  H   UNL     1       0.949   0.090   2.253  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.161   3.442  -0.139  1.00  0.00           H  
HETATM   52  H   UNL     1       0.460   1.804  -1.586  1.00  0.00           H  
HETATM   53  H   UNL     1       1.344   3.032  -0.644  1.00  0.00           H  
HETATM   54  H   UNL     1       2.376   1.386   0.531  1.00  0.00           H  
HETATM   55  H   UNL     1       4.235  -2.203  -1.687  1.00  0.00           H  
HETATM   56  H   UNL     1       6.475  -2.277  -0.669  1.00  0.00           H  
HETATM   57  H   UNL     1       8.399  -0.045  -0.128  1.00  0.00           H  
HETATM   58  H   UNL     1       6.136   1.852   0.376  1.00  0.00           H  
HETATM   59  H   UNL     1       3.897   1.927  -0.643  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    1    8    8    3                                       
CONECT    3    2    4    4   39                                       
CONECT    4    3    3    6    5                                       
CONECT    5    4   40                                                 
CONECT    6    7    7    4   41                                       
CONECT    7    8    6    6   42                                       
CONECT    8    9    2    2    7                                       
CONECT    9   10   10   22    8                                       
CONECT   10   19   11    9    9                                       
CONECT   11   10   17   17   12                                       
CONECT   12   11   13   13   43                                       
CONECT   13   12   12   14   44                                       
CONECT   14   16   16   13   15                                       
CONECT   15   14   45                                                 
CONECT   16   17   14   14   46                                       
CONECT   17   18   11   11   16                                       
CONECT   18   17   47   48   49                                       
CONECT   19   24   10   20   50                                       
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   23   20    9   51                                       
CONECT   23   24   22   52   53                                       
CONECT   24   25   23   19   54                                       
CONECT   25   28   26   26   27                                       
CONECT   25   27   24                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   29   25                                                 
CONECT   29   35   28   30   30                                       
CONECT   30   29   29   31   55                                       
CONECT   31   32   32   30   56                                       
CONECT   32   34   33   31   31                                       
CONECT   33   32   57                                                 
CONECT   34   35   35   32   58                                       
CONECT   35   34   34   29   59                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    3                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   22                                                      
CONECT   52   23                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
CONECT   57   33                                                      
CONECT   58   34                                                      
CONECT   59   35                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
