COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.346  -0.135   3.487  1.00  0.00           C  
HETATM    2  O   UNL     1       5.191  -0.463   2.104  1.00  0.00           O  
HETATM    3  C   UNL     1       4.372   0.336   1.369  1.00  0.00           C  
HETATM    4  C   UNL     1       4.176   0.074   0.019  1.00  0.00           C  
HETATM    5 CL   UNL     1       4.977  -1.273  -0.729  1.00  0.00          Cl  
HETATM    6  C   UNL     1       3.344   0.885  -0.728  1.00  0.00           C  
HETATM    7  C   UNL     1       3.728   1.408   1.968  1.00  0.00           C  
HETATM    8  C   UNL     1       2.891   2.216   1.223  1.00  0.00           C  
HETATM    9  C   UNL     1       2.704   1.962  -0.129  1.00  0.00           C  
HETATM   10  N   UNL     1       1.855   2.781  -0.885  1.00  0.00           N  
HETATM   11  C   UNL     1       2.404   3.544  -1.832  1.00  0.00           C  
HETATM   12  O   UNL     1       3.609   3.520  -1.962  1.00  0.00           O  
HETATM   13  C   UNL     1       1.608   4.431  -2.745  1.00  0.00           C  
HETATM   14  C   UNL     1       0.212   4.661  -2.162  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.377   3.302  -1.763  1.00  0.00           C  
HETATM   16  C   UNL     1       0.428   2.742  -0.592  1.00  0.00           C  
HETATM   17  C   UNL     1       0.005   1.319  -0.332  1.00  0.00           C  
HETATM   18  N   UNL     1       0.341   0.297  -1.063  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.209  -0.833  -0.548  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.175  -2.177  -0.925  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.861  -3.116  -0.169  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.829  -4.548  -0.562  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.333  -5.123  -1.693  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.048  -4.426  -2.821  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.063  -6.433  -1.600  1.00  0.00           O  
HETATM   26  N   UNL     1      -0.476  -6.699  -0.578  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.262  -5.642   0.149  1.00  0.00           C  
HETATM   28  C   UNL     1       0.443  -5.588   1.480  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.581  -2.720   0.962  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.619  -1.407   1.335  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.938  -0.451   0.591  1.00  0.00           C  
HETATM   32  N   UNL     1      -0.778   0.916   0.704  1.00  0.00           N  
HETATM   33  C   UNL     1      -1.349   1.774   1.745  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.516   2.625   1.185  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.072   0.929   2.827  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.458   0.673   2.197  1.00  0.00           C  
HETATM   37  N   UNL     1      -3.680   1.721   1.191  1.00  0.00           N  
HETATM   38  S   UNL     1      -5.017   1.863   0.225  1.00  0.00           S  
HETATM   39  O   UNL     1      -6.076   1.335   1.011  1.00  0.00           O  
HETATM   40  O   UNL     1      -5.014   3.226  -0.180  1.00  0.00           O  
HETATM   41  C   UNL     1      -4.672   0.779  -1.188  1.00  0.00           C  
HETATM   42  H   UNL     1       4.376  -0.176   3.981  1.00  0.00           H  
HETATM   43  H   UNL     1       6.023  -0.849   3.955  1.00  0.00           H  
HETATM   44  H   UNL     1       5.758   0.870   3.577  1.00  0.00           H  
HETATM   45  H   UNL     1       3.192   0.681  -1.778  1.00  0.00           H  
HETATM   46  H   UNL     1       3.881   1.611   3.017  1.00  0.00           H  
HETATM   47  H   UNL     1       2.393   3.053   1.689  1.00  0.00           H  
HETATM   48  H   UNL     1       2.117   5.389  -2.854  1.00  0.00           H  
HETATM   49  H   UNL     1       1.518   3.957  -3.722  1.00  0.00           H  
HETATM   50  H   UNL     1       0.284   5.302  -1.284  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.428   5.132  -2.909  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.418   3.428  -1.466  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.314   2.615  -2.606  1.00  0.00           H  
HETATM   54  H   UNL     1       0.233   3.341   0.298  1.00  0.00           H  
HETATM   55  H   UNL     1       0.381  -2.483  -1.798  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.322  -4.107  -3.569  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.763  -5.111  -3.277  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.576  -3.555  -2.433  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.282  -5.727   2.281  1.00  0.00           H  
HETATM   60  H   UNL     1       1.192  -6.378   1.527  1.00  0.00           H  
HETATM   61  H   UNL     1       0.929  -4.619   1.594  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.112  -3.458   1.545  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.178  -1.110   2.210  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.582   2.407   2.192  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.701   3.486   1.829  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.293   2.951   0.169  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.547  -0.011   2.998  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.166   1.491   3.757  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.473  -0.308   1.721  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.229   0.723   2.965  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.444  -0.224  -0.829  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.545   0.743  -1.840  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.819   1.168  -1.745  1.00  0.00           H  
CONECT    1    2   42   43   44                                       
CONECT    2    3    1                                                 
CONECT    3    7    7    4    2                                       
CONECT    4    6    6    3    5                                       
CONECT    5    4                                                      
CONECT    6    9    4    4   45                                       
CONECT    7    8    3    3   46                                       
CONECT    8    9    9    7   47                                       
CONECT    9   10    8    8    6                                       
CONECT   10   11   16    9                                            
CONECT   11   13   12   12   10                                       
CONECT   12   11   11                                                 
CONECT   13   14   11   48   49                                       
CONECT   14   15   13   50   51                                       
CONECT   15   14   16   52   53                                       
CONECT   16   15   10   17   54                                       
CONECT   17   16   32   18   18                                       
CONECT   18   17   17   19                                            
CONECT   19   18   31   31   20                                       
CONECT   20   19   21   21   55                                       
CONECT   21   20   20   29   22                                       
CONECT   22   21   23   23   27                                       
CONECT   23   24   22   22   25                                       
CONECT   24   23   56   57   58                                       
CONECT   25   23   26                                                 
CONECT   26   25   27   27                                            
CONECT   27   22   26   26   28                                       
CONECT   28   27   59   60   61                                       
CONECT   29   30   30   21   62                                       
CONECT   30   31   29   29   63                                       
CONECT   31   32   19   19   30                                       
CONECT   32   33   17   31                                            
CONECT   33   34   32   35   64                                       
CONECT   34   37   33   65   66                                       
CONECT   35   33   36   67   68                                       
CONECT   36   37   35   69   70                                       
CONECT   37   34   38   36                                            
CONECT   38   41   40   40   37                                       
CONECT   38   39   39                                                 
CONECT   39   38   38                                                 
CONECT   40   38   38                                                 
CONECT   41   38   71   72   73                                       
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   20                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
CONECT   71   41                                                      
CONECT   72   41                                                      
CONECT   73   41                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
