COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.824  -2.006   1.173  1.00  0.00           C  
HETATM    2  C   UNL     1       6.774  -0.342  -0.003  1.00  0.00           C  
HETATM    3  C   UNL     1       5.539   0.237  -0.583  1.00  0.00           C  
HETATM    4  C   UNL     1       1.966  -0.269  -0.086  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.638   0.317   0.100  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.073   0.389   0.126  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.897  -1.946   0.259  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.399  -4.553  -0.512  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.128  -5.975  -0.932  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.413  -2.425  -0.930  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.385   2.767  -0.213  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.468   5.387  -0.698  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.128  -2.769   1.061  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.879  -4.072   0.675  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.179  -6.852  -0.401  1.00  0.00           N  
HETATM   16  C   UNL     1      -5.160  -3.727  -1.318  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.169  -0.524   0.680  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.414   1.846   0.446  1.00  0.00           C  
HETATM   19  S   UNL     1      -3.789   4.494   0.166  1.00  0.00           S  
HETATM   20  O   UNL     1      -5.030   4.815  -0.449  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.635   4.699   1.564  1.00  0.00           O  
HETATM   22  N   UNL     1      -2.790   0.041   0.742  1.00  0.00           N  
HETATM   23  O   UNL     1      -1.663   0.853  -0.988  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.318  -0.041   0.733  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.179   0.689   2.070  1.00  0.00           C  
HETATM   26  C   UNL     1       1.102   0.231   2.771  1.00  0.00           C  
HETATM   27  C   UNL     1       1.305   1.050   4.047  1.00  0.00           C  
HETATM   28  C   UNL     1       0.984  -1.252   3.129  1.00  0.00           C  
HETATM   29  N   UNL     1       0.775   0.358  -0.157  1.00  0.00           N  
HETATM   30  O   UNL     1       2.104  -1.226   0.646  1.00  0.00           O  
HETATM   31  C   UNL     1       3.126   0.219  -0.915  1.00  0.00           C  
HETATM   32  C   UNL     1       2.897  -0.155  -2.381  1.00  0.00           C  
HETATM   33  C   UNL     1       1.690   0.615  -2.921  1.00  0.00           C  
HETATM   34  C   UNL     1       2.013   2.109  -2.959  1.00  0.00           C  
HETATM   35  C   UNL     1       1.365   0.127  -4.335  1.00  0.00           C  
HETATM   36  N   UNL     1       4.363  -0.405  -0.440  1.00  0.00           N  
HETATM   37  O   UNL     1       5.587   1.290  -1.187  1.00  0.00           O  
HETATM   38  N   UNL     1       6.724  -1.494   0.659  1.00  0.00           N  
HETATM   39  C   UNL     1       9.034  -1.342   1.029  1.00  0.00           C  
HETATM   40  N   UNL     1       9.088  -0.194   0.377  1.00  0.00           N  
HETATM   41  C   UNL     1       7.990   0.326  -0.141  1.00  0.00           C  
HETATM   42  H   UNL     1       7.783  -2.942   1.710  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.004   0.261  -0.954  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.119  -6.036  -2.020  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.160  -6.290  -0.543  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.014  -1.782  -1.556  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.391   2.534   0.169  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.404   2.618  -1.293  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.513   5.161  -1.764  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.595   6.459  -0.548  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.501   5.077  -0.302  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.722  -2.393   1.988  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.285  -4.718   1.305  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.019  -7.812  -0.669  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.251  -6.764   0.602  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.563  -4.102  -2.248  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.178  -0.462   1.768  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.136  -0.208   0.290  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.408   2.079   0.064  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.395   1.995   1.526  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.770  -0.387   1.612  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.275  -1.117   0.900  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.132   1.764   1.894  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.039   0.461   2.700  1.00  0.00           H  
HETATM   65  H   UNL     1       1.952   0.377   2.105  1.00  0.00           H  
HETATM   66  H   UNL     1       2.218   0.723   4.546  1.00  0.00           H  
HETATM   67  H   UNL     1       1.389   2.106   3.792  1.00  0.00           H  
HETATM   68  H   UNL     1       0.455   0.903   4.713  1.00  0.00           H  
HETATM   69  H   UNL     1       0.839  -1.835   2.220  1.00  0.00           H  
HETATM   70  H   UNL     1       1.896  -1.578   3.629  1.00  0.00           H  
HETATM   71  H   UNL     1       0.133  -1.398   3.795  1.00  0.00           H  
HETATM   72  H   UNL     1       0.642   1.074  -0.798  1.00  0.00           H  
HETATM   73  H   UNL     1       3.207   1.302  -0.825  1.00  0.00           H  
HETATM   74  H   UNL     1       3.782   0.102  -2.964  1.00  0.00           H  
HETATM   75  H   UNL     1       2.709  -1.226  -2.458  1.00  0.00           H  
HETATM   76  H   UNL     1       0.831   0.445  -2.272  1.00  0.00           H  
HETATM   77  H   UNL     1       1.130   2.665  -3.274  1.00  0.00           H  
HETATM   78  H   UNL     1       2.316   2.441  -1.966  1.00  0.00           H  
HETATM   79  H   UNL     1       2.825   2.288  -3.665  1.00  0.00           H  
HETATM   80  H   UNL     1       1.135  -0.938  -4.308  1.00  0.00           H  
HETATM   81  H   UNL     1       0.505   0.675  -4.720  1.00  0.00           H  
HETATM   82  H   UNL     1       2.224   0.297  -4.984  1.00  0.00           H  
HETATM   83  H   UNL     1       4.335  -1.280  -0.021  1.00  0.00           H  
HETATM   84  H   UNL     1       9.934  -1.764   1.452  1.00  0.00           H  
HETATM   85  H   UNL     1       8.035   1.264  -0.674  1.00  0.00           H  
CONECT    1   39   38   38   42                                       
CONECT    2   41   41   38    3                                       
CONECT    3    2   37   37   36                                       
CONECT    4   31   30   30   29                                       
CONECT    5   24   23   23   22                                       
CONECT    6   22   18   17   43                                       
CONECT    7   10   13   13   17                                       
CONECT    8    9   16   14   14                                       
CONECT    9   15    8   44   45                                       
CONECT   10   16   16    7   46                                       
CONECT   11   18   19   47   48                                       
CONECT   12   19   49   50   51                                       
CONECT   13    7    7   14   52                                       
CONECT   14    8    8   13   53                                       
CONECT   15    9   54   55                                            
CONECT   16   10   10    8   56                                       
CONECT   17    6    7   57   58                                       
CONECT   18    6   11   59   60                                       
CONECT   19   12   11   20   20                                       
CONECT   19   21   21                                                 
CONECT   20   19   19                                                 
CONECT   21   19   19                                                 
CONECT   22    5    6   61                                            
CONECT   23    5    5                                                 
CONECT   24   29   25    5   62                                       
CONECT   25   26   24   63   64                                       
CONECT   26   28   27   25   65                                       
CONECT   27   26   66   67   68                                       
CONECT   28   26   69   70   71                                       
CONECT   29    4   24   72                                            
CONECT   30    4    4                                                 
CONECT   31   36   32    4   73                                       
CONECT   32   33   31   74   75                                       
CONECT   33   34   35   32   76                                       
CONECT   34   33   77   78   79                                       
CONECT   35   33   80   81   82                                       
CONECT   36    3   31   83                                            
CONECT   37    3    3                                                 
CONECT   38    1    1    2                                            
CONECT   39   40   40    1   84                                       
CONECT   40   39   39   41                                            
CONECT   41   40    2    2   85                                       
CONECT   42    1                                                      
CONECT   43    6                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   22                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   39                                                      
CONECT   85   41                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
