COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0      -7.610   0.053   0.248  1.00  0.00           C  
HETATM    2  C   UNK A   0      -6.182   4.838   1.265  1.00  0.00           C  
HETATM    3  C   UNK A   0      -6.096   4.202   0.040  1.00  0.00           C  
HETATM    4  C   UNK A   0      -6.233   2.831  -0.040  1.00  0.00           C  
HETATM    5  C   UNK A   0      -6.138   2.139  -1.376  1.00  0.00           C  
HETATM    6  C   UNK A   0      -4.871   0.434  -2.550  1.00  0.00           C  
HETATM    7  C   UNK A   0      -3.673  -0.498  -2.371  1.00  0.00           C  
HETATM    8  C   UNK A   0      -2.411   0.310  -2.206  1.00  0.00           C  
HETATM    9  C   UNK A   0      -2.448   1.652  -1.885  1.00  0.00           C  
HETATM   10  C   UNK A   0      -3.750   2.386  -1.690  1.00  0.00           C  
HETATM   11  C   UNK A   0      -1.264   2.362  -1.737  1.00  0.00           C  
HETATM   12  C   UNK A   0      -7.743  -1.319   0.176  1.00  0.00           C  
HETATM   13  C   UNK A   0      -0.047   1.740  -1.909  1.00  0.00           C  
HETATM   14  C   UNK A   0      -0.004   0.384  -2.236  1.00  0.00           C  
HETATM   15  C   UNK A   0      -1.195  -0.326  -2.382  1.00  0.00           C  
HETATM   16  C   UNK A   0       1.295  -0.295  -2.426  1.00  0.00           C  
HETATM   17  C   UNK A   0       1.835   0.200  -0.102  1.00  0.00           C  
HETATM   18  C   UNK A   0       1.106  -0.776   0.786  1.00  0.00           C  
HETATM   19  C   UNK A   0      -0.260  -0.943   0.655  1.00  0.00           C  
HETATM   20  C   UNK A   0      -0.928  -1.842   1.466  1.00  0.00           C  
HETATM   21  C   UNK A   0      -0.229  -2.573   2.408  1.00  0.00           C  
HETATM   22  C   UNK A   0      -0.957  -3.553   3.292  1.00  0.00           C  
HETATM   23  C   UNK A   0      -6.886  -2.138   0.891  1.00  0.00           C  
HETATM   24  C   UNK A   0       1.137  -2.407   2.539  1.00  0.00           C  
HETATM   25  C   UNK A   0       1.804  -1.508   1.729  1.00  0.00           C  
HETATM   26  C   UNK A   0       3.260  -1.174  -1.523  1.00  0.00           C  
HETATM   27  C   UNK A   1       5.323  -2.116  -0.632  1.00  0.00           C  
HETATM   28  C   UNK A   1       5.006  -3.569  -0.391  1.00  0.00           C  
HETATM   29  C   UNK A   1       6.367  -1.646   0.383  1.00  0.00           C  
HETATM   30  C   UNK A   1       7.983   0.469   1.372  1.00  0.00           C  
HETATM   31  C   UNK A   1       8.408   1.910   1.262  1.00  0.00           C  
HETATM   32  C   UNK A   1       9.474   2.257   0.453  1.00  0.00           C  
HETATM   33  C   UNK A   1       9.861   3.579   0.348  1.00  0.00           C  
HETATM   34  C   UNK A   0      -5.891  -1.586   1.680  1.00  0.00           C  
HETATM   35  C   UNK A   1       9.182   4.556   1.051  1.00  0.00           C  
HETATM   36  C   UNK A   1       8.115   4.210   1.860  1.00  0.00           C  
HETATM   37  C   UNK A   1       7.729   2.887   1.965  1.00  0.00           C  
HETATM   38  C   UNK A   0      -5.750  -0.215   1.758  1.00  0.00           C  
HETATM   39  C   UNK A   0      -6.607   0.613   1.036  1.00  0.00           C  
HETATM   40  C   UNK A   0      -6.459   2.088   1.116  1.00  0.00           C  
HETATM   41  C   UNK A   0      -6.545   2.733   2.348  1.00  0.00           C  
HETATM   42  C   UNK A   0      -6.400   4.104   2.417  1.00  0.00           C  
HETATM   43  N   UNK A   0      -4.851   1.438  -1.474  1.00  0.00           N  
HETATM   44  N   UNK A   0       2.138  -0.440  -1.384  1.00  0.00           N  
HETATM   45  N   UNK A   1       4.103  -1.318  -0.481  1.00  0.00           N  
HETATM   46  O   UNK A   0       1.602  -0.723  -3.521  1.00  0.00           O  
HETATM   47  O   UNK A   0       3.512  -1.704  -2.587  1.00  0.00           O  
HETATM   48  O   UNK A   1       5.978  -4.491  -0.476  1.00  0.00           O  
HETATM   49  O   UNK A   1       3.877  -3.905  -0.122  1.00  0.00           O  
HETATM   50  S   UNK A   1       6.749   0.103   0.094  1.00  0.00           S  
HETATM   51 CL   UNK A   0      -7.060  -3.862   0.798  1.00  0.00          Cl  
HETATM   52  H   UNK A   0      -8.279   0.691  -0.310  1.00  0.00           H  
HETATM   53  H   UNK A   0      -6.074   5.911   1.323  1.00  0.00           H  
HETATM   54  H   UNK A   0      -5.921   4.780  -0.856  1.00  0.00           H  
HETATM   55  H   UNK A   0      -6.952   1.421  -1.472  1.00  0.00           H  
HETATM   56  H   UNK A   0      -6.211   2.879  -2.174  1.00  0.00           H  
HETATM   57  H   UNK A   0      -4.807   0.932  -3.517  1.00  0.00           H  
HETATM   58  H   UNK A   0      -5.795  -0.142  -2.496  1.00  0.00           H  
HETATM   59  H   UNK A   0      -3.825  -1.117  -1.487  1.00  0.00           H  
HETATM   60  H   UNK A   0      -3.579  -1.138  -3.249  1.00  0.00           H  
HETATM   61  H   UNK A   0      -3.666   3.043  -0.825  1.00  0.00           H  
HETATM   62  H   UNK A   0      -3.961   2.985  -2.576  1.00  0.00           H  
HETATM   63  H   UNK A   0      -1.297   3.412  -1.484  1.00  0.00           H  
HETATM   64  H   UNK A   0      -8.518  -1.754  -0.438  1.00  0.00           H  
HETATM   65  H   UNK A   0       0.869   2.299  -1.791  1.00  0.00           H  
HETATM   66  H   UNK A   0      -1.169  -1.376  -2.635  1.00  0.00           H  
HETATM   67  H   UNK A   0       1.207   1.075  -0.271  1.00  0.00           H  
HETATM   68  H   UNK A   0       2.763   0.506   0.380  1.00  0.00           H  
HETATM   69  H   UNK A   0      -0.806  -0.371  -0.081  1.00  0.00           H  
HETATM   70  H   UNK A   0      -1.995  -1.972   1.363  1.00  0.00           H  
HETATM   71  H   UNK A   0      -0.975  -4.531   2.812  1.00  0.00           H  
HETATM   72  H   UNK A   0      -0.444  -3.628   4.251  1.00  0.00           H  
HETATM   73  H   UNK A   0      -1.979  -3.208   3.453  1.00  0.00           H  
HETATM   74  H   UNK A   0       1.682  -2.979   3.275  1.00  0.00           H  
HETATM   75  H   UNK A   0       2.872  -1.380   1.828  1.00  0.00           H  
HETATM   76  H   UNK A   1       5.716  -1.992  -1.641  1.00  0.00           H  
HETATM   77  H   UNK A   1       5.975  -1.770   1.392  1.00  0.00           H  
HETATM   78  H   UNK A   1       7.275  -2.240   0.271  1.00  0.00           H  
HETATM   79  H   UNK A   1       8.850  -0.177   1.235  1.00  0.00           H  
HETATM   80  H   UNK A   1       7.550   0.292   2.356  1.00  0.00           H  
HETATM   81  H   UNK A   1      10.005   1.493  -0.097  1.00  0.00           H  
HETATM   82  H   UNK A   1      10.695   3.850  -0.284  1.00  0.00           H  
HETATM   83  H   UNK A   0      -5.227  -2.229   2.239  1.00  0.00           H  
HETATM   84  H   UNK A   1       9.484   5.590   0.970  1.00  0.00           H  
HETATM   85  H   UNK A   1       7.584   4.973   2.409  1.00  0.00           H  
HETATM   86  H   UNK A   1       6.893   2.617   2.594  1.00  0.00           H  
HETATM   87  H   UNK A   0      -4.973   0.214   2.374  1.00  0.00           H  
HETATM   88  H   UNK A   0      -6.716   2.161   3.248  1.00  0.00           H  
HETATM   89  H   UNK A   0      -6.467   4.606   3.371  1.00  0.00           H  
HETATM   90  H   UNK A   1       3.902  -0.895   0.368  1.00  0.00           H  
HETATM   91  H   UNK A   1       5.727  -5.411  -0.314  1.00  0.00           H  
CONECT    1   39   39   12   52                                       
CONECT    2   42    3    3   53                                       
CONECT    3    2    2    4   54                                       
CONECT    4   40   40    3    5                                       
CONECT    5   43    4   55   56                                       
CONECT    6    7   43   57   58                                       
CONECT    7    8    6   59   60                                       
CONECT    8   15   15    9    7                                       
CONECT    9   11   11    8   10                                       
CONECT   10    9   43   61   62                                       
CONECT   11   13    9    9   63                                       
CONECT   12   23   23    1   64                                       
CONECT   13   14   14   11   65                                       
CONECT   14   16   13   13   15                                       
CONECT   15   14    8    8   66                                       
CONECT   16   46   46   44   14                                       
CONECT   17   18   44   67   68                                       
CONECT   18   19   19   25   17                                       
CONECT   19   20   18   18   69                                       
CONECT   20   21   21   19   70                                       
CONECT   21   22   20   20   24                                       
CONECT   22   21   71   72   73                                       
CONECT   23   34   51   12   12                                       
CONECT   24   21   25   25   74                                       
CONECT   25   24   24   18   75                                       
CONECT   26   45   47   47   44                                       
CONECT   27   29   28   45   76                                       
CONECT   28   27   49   49   48                                       
CONECT   29   50   27   77   78                                       
CONECT   30   31   50   79   80                                       
CONECT   31   32   32   37   30                                       
CONECT   32   33   31   31   81                                       
CONECT   33   35   35   32   82                                       
CONECT   34   38   38   23   83                                       
CONECT   35   33   33   36   84                                       
CONECT   36   35   37   37   85                                       
CONECT   37   36   36   31   86                                       
CONECT   38   34   34   39   87                                       
CONECT   39   38   40    1    1                                       
CONECT   40   41   39    4    4                                       
CONECT   41   42   42   40   88                                       
CONECT   42   41   41    2   89                                       
CONECT   43   10    6    5                                            
CONECT   44   26   16   17                                            
CONECT   45   27   26   90                                            
CONECT   46   16   16                                                 
CONECT   47   26   26                                                 
CONECT   48   28   91                                                 
CONECT   49   28   28                                                 
CONECT   50   30   29                                                 
CONECT   51   23                                                      
CONECT   52    1                                                      
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    5                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   15                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   22                                                      
CONECT   72   22                                                      
CONECT   73   22                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   27                                                      
CONECT   77   29                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   30                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   37                                                      
CONECT   87   38                                                      
CONECT   88   41                                                      
CONECT   89   42                                                      
CONECT   90   45                                                      
CONECT   91   48                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
