COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.020  -0.371  -4.771  1.00  0.00           O  
HETATM    2  C   UNL     1       1.650   0.464  -3.672  1.00  0.00           C  
HETATM    3  C   UNL     1       2.182  -0.136  -2.366  1.00  0.00           C  
HETATM    4  C   UNL     1       1.458  -1.461  -2.107  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.052  -1.221  -2.145  1.00  0.00           C  
HETATM    6  O   UNL     1      -0.433  -0.743  -3.434  1.00  0.00           O  
HETATM    7  C   UNL     1       0.124   0.559  -3.592  1.00  0.00           C  
HETATM    8  O   UNL     1       1.936   0.767  -1.287  1.00  0.00           O  
HETATM    9  O   UNL     1       1.830  -1.966  -0.823  1.00  0.00           O  
HETATM   10  S   UNL     1      -0.512   1.306  -5.118  1.00  0.00           S  
HETATM   11  C   UNL     1      -2.288   1.304  -4.752  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.429  -0.183  -1.086  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.936   0.073  -1.136  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.313   1.111  -0.077  1.00  0.00           C  
HETATM   15 CL   UNL     1      -2.819  -1.464  -0.811  1.00  0.00          Cl  
HETATM   16  N   UNL     1      -0.063  -0.685   0.241  1.00  0.00           N  
HETATM   17  C   UNL     1       0.278   0.178   1.217  1.00  0.00           C  
HETATM   18  O   UNL     1       0.283   1.371   0.997  1.00  0.00           O  
HETATM   19  C   UNL     1       0.654  -0.337   2.582  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.600  -0.434   3.470  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.309   0.482   4.681  1.00  0.00           C  
HETATM   22  C   UNL     1       1.237   0.571   4.690  1.00  0.00           C  
HETATM   23  N   UNL     1       1.582   0.605   3.243  1.00  0.00           N  
HETATM   24  C   UNL     1       2.928   0.033   3.115  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.823  -0.152   5.975  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.467   0.748   7.160  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.980   0.113   8.454  1.00  0.00           C  
HETATM   28  H   UNL     1       1.660   0.040  -5.569  1.00  0.00           H  
HETATM   29  H   UNL     1       2.070   1.460  -3.813  1.00  0.00           H  
HETATM   30  H   UNL     1       3.253  -0.316  -2.456  1.00  0.00           H  
HETATM   31  H   UNL     1       1.732  -2.183  -2.877  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.573  -2.156  -1.937  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.155   1.180  -2.741  1.00  0.00           H  
HETATM   34  H   UNL     1       2.400   1.588  -1.500  1.00  0.00           H  
HETATM   35  H   UNL     1       2.788  -2.097  -0.842  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.833   1.733  -5.593  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.624   0.280  -4.586  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.476   1.897  -3.857  1.00  0.00           H  
HETATM   39  H   UNL     1       0.104   0.746  -1.282  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.208   0.446  -2.124  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.387   1.294  -0.113  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.041   0.738   0.909  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.779   2.041  -0.274  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.068  -1.638   0.417  1.00  0.00           H  
HETATM   45  H   UNL     1       1.122  -1.317   2.492  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.750  -1.461   3.801  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.476  -0.078   2.927  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.752   1.467   4.533  1.00  0.00           H  
HETATM   49  H   UNL     1       1.571   1.482   5.187  1.00  0.00           H  
HETATM   50  H   UNL     1       1.667  -0.308   5.167  1.00  0.00           H  
HETATM   51  H   UNL     1       3.652   0.695   3.590  1.00  0.00           H  
HETATM   52  H   UNL     1       2.956  -0.942   3.601  1.00  0.00           H  
HETATM   53  H   UNL     1       3.177  -0.079   2.060  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.359  -1.129   6.109  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.905  -0.267   5.918  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.930   1.725   7.025  1.00  0.00           H  
HETATM   57  H   UNL     1       0.615   0.863   7.216  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.727   0.755   9.298  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.062  -0.001   8.398  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.517  -0.863   8.588  1.00  0.00           H  
CONECT    1    2   28                                                 
CONECT    2    1    3    7   29                                       
CONECT    3    2    4    8   30                                       
CONECT    4    3    5    9   31                                       
CONECT    5    4    6   12   32                                       
CONECT    6    5    7                                                 
CONECT    7    2    6   10   33                                       
CONECT    8    3   34                                                 
CONECT    9    4   35                                                 
CONECT   10    7   11                                                 
CONECT   11   10   36   37   38                                       
CONECT   12    5   13   16   39                                       
CONECT   13   12   14   15   40                                       
CONECT   14   13   41   42   43                                       
CONECT   15   13                                                      
CONECT   16   12   17   44                                            
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   23   45                                       
CONECT   20   19   21   46   47                                       
CONECT   21   20   22   25   48                                       
CONECT   22   21   23   49   50                                       
CONECT   23   19   22   24                                            
CONECT   24   23   51   52   53                                       
CONECT   25   21   26   54   55                                       
CONECT   26   25   27   56   57                                       
CONECT   27   26   58   59   60                                       
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
