COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.073   3.236   0.058  1.00  0.00           C  
HETATM    2  C   UNL     1       2.803   3.872  -1.126  1.00  0.00           C  
HETATM    3  C   UNL     1       0.671   1.297   0.430  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.530   1.740  -0.408  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.133   0.974  -0.308  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.262   0.226   0.853  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.501  -0.253   1.232  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.248   1.245  -1.087  1.00  0.00           C  
HETATM    9  N   UNL     1      -7.872  -0.472   0.834  1.00  0.00           N  
HETATM   10  C   UNL     1       7.383   0.026   1.102  1.00  0.00           C  
HETATM   11  C   UNL     1       7.533  -1.202   0.482  1.00  0.00           C  
HETATM   12  C   UNL     1       6.629  -1.602  -0.487  1.00  0.00           C  
HETATM   13  C   UNL     1       5.577  -0.775  -0.834  1.00  0.00           C  
HETATM   14  C   UNL     1       5.428   0.452  -0.214  1.00  0.00           C  
HETATM   15  C   UNL     1       6.331   0.852   0.754  1.00  0.00           C  
HETATM   16  C   UNL     1       4.282   1.354  -0.593  1.00  0.00           C  
HETATM   17  C   UNL     1       3.075   1.045   0.296  1.00  0.00           C  
HETATM   18  N   UNL     1       1.908   1.796  -0.184  1.00  0.00           N  
HETATM   19  C   UNL     1       2.889   3.448   1.335  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.808   1.128   0.168  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.913   1.446  -0.680  1.00  0.00           O  
HETATM   22  C   UNL     1      -6.617   0.013   0.450  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.488   0.767  -0.709  1.00  0.00           C  
HETATM   24  S   UNL     1      -8.536  -1.766   0.042  1.00  0.00           S  
HETATM   25  C   UNL     1      -7.418  -3.146   0.412  1.00  0.00           C  
HETATM   26  O   UNL     1      -9.793  -1.959   0.678  1.00  0.00           O  
HETATM   27  O   UNL     1      -8.457  -1.415  -1.332  1.00  0.00           O  
HETATM   28  O   UNL     1      -0.630   3.165  -0.382  1.00  0.00           O  
HETATM   29 CL   UNL     1       6.817  -3.142  -1.266  1.00  0.00          Cl  
HETATM   30 CL   UNL     1       8.855  -2.239   0.919  1.00  0.00          Cl  
HETATM   31  H   UNL     1       1.093   3.700   0.172  1.00  0.00           H  
HETATM   32  H   UNL     1       2.274   3.636  -2.049  1.00  0.00           H  
HETATM   33  H   UNL     1       2.837   4.954  -0.993  1.00  0.00           H  
HETATM   34  H   UNL     1       3.819   3.481  -1.179  1.00  0.00           H  
HETATM   35  H   UNL     1       0.578   1.700   1.439  1.00  0.00           H  
HETATM   36  H   UNL     1       0.701   0.208   0.475  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.398   1.404  -1.437  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.394   0.019   1.461  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.601  -0.836   2.136  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.148   1.831  -1.988  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.353  -0.051   1.563  1.00  0.00           H  
HETATM   42  H   UNL     1       8.085   0.337   1.862  1.00  0.00           H  
HETATM   43  H   UNL     1       4.872  -1.086  -1.591  1.00  0.00           H  
HETATM   44  H   UNL     1       6.211   1.808   1.241  1.00  0.00           H  
HETATM   45  H   UNL     1       4.577   2.394  -0.456  1.00  0.00           H  
HETATM   46  H   UNL     1       4.017   1.185  -1.637  1.00  0.00           H  
HETATM   47  H   UNL     1       2.860  -0.023   0.259  1.00  0.00           H  
HETATM   48  H   UNL     1       3.297   1.335   1.323  1.00  0.00           H  
HETATM   49  H   UNL     1       3.011   4.516   1.515  1.00  0.00           H  
HETATM   50  H   UNL     1       2.369   2.994   2.178  1.00  0.00           H  
HETATM   51  H   UNL     1       3.869   2.984   1.220  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.697   0.046   0.231  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.987   1.533   1.164  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.355   0.974  -1.318  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.447  -3.361   1.480  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.732  -4.028  -0.145  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.402  -2.877   0.123  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.748   3.535   0.503  1.00  0.00           H  
CONECT    1   18   19    2   31                                       
CONECT    2    1   32   33   34                                       
CONECT    3    4   18   35   36                                       
CONECT    4   28   20    3   37                                       
CONECT    5    6   21    8    8                                       
CONECT    6    7    7    5   38                                       
CONECT    7    6    6   22   39                                       
CONECT    8    5    5   23   40                                       
CONECT    9   22   24   41                                            
CONECT   10   11   11   15   42                                       
CONECT   11   12   30   10   10                                       
CONECT   12   29   13   13   11                                       
CONECT   13   12   12   14   43                                       
CONECT   14   13   16   15   15                                       
CONECT   15   14   14   10   44                                       
CONECT   16   14   17   45   46                                       
CONECT   17   16   18   47   48                                       
CONECT   18   17    3    1                                            
CONECT   19    1   49   50   51                                       
CONECT   20   21    4   52   53                                       
CONECT   21    5   20                                                 
CONECT   22    7    9   23   23                                       
CONECT   23   22   22    8   54                                       
CONECT   24    9   27   27   26                                       
CONECT   24   26   25                                                 
CONECT   25   24   55   56   57                                       
CONECT   26   24   24                                                 
CONECT   27   24   24                                                 
CONECT   28    4   58                                                 
CONECT   29   12                                                      
CONECT   30   11                                                      
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   23                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   28                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
