COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.012  -0.959  -0.471  1.00  0.00           N  
HETATM    2  N   UNL     1       4.417   1.698   2.111  1.00  0.00           N  
HETATM    3  C   UNL     1       0.345  -1.037  -1.032  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.039  -0.641  -1.531  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.168  -2.370  -0.102  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.812  -3.016   0.034  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.747  -4.273   0.619  1.00  0.00           C  
HETATM    8  C   UNL     1       1.623  -4.304   0.320  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.466   0.260  -0.617  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.835   1.364  -0.507  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.831   2.381   0.733  1.00  0.00           C  
HETATM   12  C   UNL     1       4.473   2.974   1.812  1.00  0.00           C  
HETATM   13  C   UNL     1       3.734   3.480   0.731  1.00  0.00           C  
HETATM   14  C   UNL     1       3.766   4.838   0.378  1.00  0.00           C  
HETATM   15  C   UNL     1       2.240   4.394  -1.420  1.00  0.00           C  
HETATM   16  C   UNL     1       2.931   2.585  -0.023  1.00  0.00           C  
HETATM   17  N   UNL     1      -4.361   3.291   1.223  1.00  0.00           N  
HETATM   18  C   UNL     1      -5.439   1.200   0.097  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.651   0.571   0.788  1.00  0.00           C  
HETATM   20  S   UNL     1      -2.888   0.229   0.278  1.00  0.00           S  
HETATM   21  O   UNL     1      -3.075  -0.254   1.601  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.151   1.418   0.030  1.00  0.00           O  
HETATM   23  C   UNL     1       0.342  -2.401  -0.402  1.00  0.00           C  
HETATM   24  C   UNL     1       1.560  -3.052  -0.259  1.00  0.00           C  
HETATM   25 CL   UNL     1       3.153  -5.107   0.492  1.00  0.00          Cl  
HETATM   26  C   UNL     1       0.465  -4.916   0.764  1.00  0.00           C  
HETATM   27  C   UNL     1       1.350  -1.007  -2.203  1.00  0.00           C  
HETATM   28  C   UNL     1       0.881  -0.054  -3.304  1.00  0.00           C  
HETATM   29  C   UNL     1       0.868  -0.009  -0.058  1.00  0.00           C  
HETATM   30  O   UNL     1       0.231   0.469   0.857  1.00  0.00           O  
HETATM   31  N   UNL     1       2.145   0.297  -0.352  1.00  0.00           N  
HETATM   32  C   UNL     1       2.623  -0.469  -1.510  1.00  0.00           C  
HETATM   33  C   UNL     1       2.915   1.224   0.353  1.00  0.00           C  
HETATM   34  C   UNL     1       2.185   3.069  -1.106  1.00  0.00           C  
HETATM   35  C   UNL     1       3.028   5.274  -0.680  1.00  0.00           C  
HETATM   36  C   UNL     1       3.679   0.832   1.432  1.00  0.00           C  
HETATM   37  H   UNL     1      -1.281  -1.203  -2.433  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.063   0.428  -1.744  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.699  -2.439   0.848  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.738  -2.886  -0.874  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.652  -4.750   0.964  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.887  -0.745  -0.646  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.300   0.614  -1.635  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.303   2.346  -0.434  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.060   0.802  -1.413  1.00  0.00           H  
HETATM   46  H   UNL     1       5.091   3.638   2.399  1.00  0.00           H  
HETATM   47  H   UNL     1       4.372   5.533   0.941  1.00  0.00           H  
HETATM   48  H   UNL     1       1.665   4.767  -2.254  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.997   1.031   1.714  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.754  -0.513   0.734  1.00  0.00           H  
HETATM   51  H   UNL     1       2.466  -2.576  -0.604  1.00  0.00           H  
HETATM   52  H   UNL     1       0.508  -5.894   1.220  1.00  0.00           H  
HETATM   53  H   UNL     1       1.516  -2.008  -2.601  1.00  0.00           H  
HETATM   54  H   UNL     1       0.788   0.953  -2.897  1.00  0.00           H  
HETATM   55  H   UNL     1       1.607  -0.051  -4.117  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.087  -0.384  -3.682  1.00  0.00           H  
HETATM   57  H   UNL     1       3.251  -1.296  -1.181  1.00  0.00           H  
HETATM   58  H   UNL     1       3.177   0.180  -2.188  1.00  0.00           H  
HETATM   59  H   UNL     1       1.570   2.397  -1.686  1.00  0.00           H  
HETATM   60  H   UNL     1       3.053   6.320  -0.951  1.00  0.00           H  
HETATM   61  H   UNL     1       3.677  -0.206   1.730  1.00  0.00           H  
CONECT    1    4   20    5                                            
CONECT    2   12   36   36                                            
CONECT    3   27   29    4   23                                       
CONECT    4    3    1   37   38                                       
CONECT    5    1    6   39   40                                       
CONECT    6   23    5    7    7                                       
CONECT    7    6    6   26   41                                       
CONECT    8   24   25   26   26                                       
CONECT    9   18   20   42   43                                       
CONECT   10   19   18   44   45                                       
CONECT   11   18   17   17   17                                       
CONECT   12   13   13    2   46                                       
CONECT   13   14   12   12   16                                       
CONECT   14   35   35   13   47                                       
CONECT   15   35   34   34   48                                       
CONECT   16   13   34   33   33                                       
CONECT   17   11   11   11                                            
CONECT   18   10   19    9   11                                       
CONECT   19   10   18   49   50                                       
CONECT   20   21   21    9    1                                       
CONECT   20   22   22                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23    3   24   24    6                                       
CONECT   24   23   23    8   51                                       
CONECT   25    8                                                      
CONECT   26    8    8    7   52                                       
CONECT   27   32   28    3   53                                       
CONECT   28   27   54   55   56                                       
CONECT   29   31    3   30   30                                       
CONECT   30   29   29                                                 
CONECT   31   33   32   29                                            
CONECT   32   31   27   57   58                                       
CONECT   33   16   16   36   31                                       
CONECT   34   15   15   16   59                                       
CONECT   35   14   14   15   60                                       
CONECT   36    2    2   33   61                                       
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   12                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   24                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   28                                                      
CONECT   57   32                                                      
CONECT   58   32                                                      
CONECT   59   34                                                      
CONECT   60   35                                                      
CONECT   61   36                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
