COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.312   1.389   2.770  1.00  0.00           C  
HETATM    2  C   UNL     1       1.365   0.953   1.304  1.00  0.00           C  
HETATM    3  N   UNL     1       2.762   0.801   0.890  1.00  0.00           N  
HETATM    4  C   UNL     1       3.458   1.872   0.462  1.00  0.00           C  
HETATM    5  C   UNL     1       4.868   1.719   0.044  1.00  0.00           C  
HETATM    6  C   UNL     1       5.553   2.798  -0.517  1.00  0.00           C  
HETATM    7  C   UNL     1       4.856   4.121  -0.698  1.00  0.00           C  
HETATM    8  C   UNL     1       6.870   2.652  -0.906  1.00  0.00           C  
HETATM    9  C   UNL     1       7.514   1.441  -0.742  1.00  0.00           C  
HETATM   10  C   UNL     1       6.840   0.360  -0.185  1.00  0.00           C  
HETATM   11  N   UNL     1       7.495  -0.863  -0.022  1.00  0.00           N  
HETATM   12  C   UNL     1       8.893  -1.007  -0.437  1.00  0.00           C  
HETATM   13  C   UNL     1       9.638  -2.148   0.278  1.00  0.00           C  
HETATM   14  N   UNL     1      10.226  -2.460  -1.043  1.00  0.00           N  
HETATM   15  C   UNL     1       9.075  -1.825  -1.728  1.00  0.00           C  
HETATM   16  C   UNL     1       5.519   0.497   0.214  1.00  0.00           C  
HETATM   17  O   UNL     1       2.927   2.965   0.419  1.00  0.00           O  
HETATM   18  C   UNL     1       0.648  -0.363   1.146  1.00  0.00           C  
HETATM   19  C   UNL     1       1.285  -1.542   1.491  1.00  0.00           C  
HETATM   20  C   UNL     1       0.634  -2.755   1.348  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.656  -2.795   0.861  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.305  -1.610   0.512  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.688  -1.646  -0.009  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.424  -2.761  -0.186  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.691  -2.542  -0.688  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.309  -0.767  -1.465  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.522  -0.003  -0.847  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.498   1.531  -1.010  1.00  0.00           C  
HETATM   29  C   UNL     1     -10.704   0.796  -0.171  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.632  -0.259   0.202  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.994  -1.262  -0.920  1.00  0.00           C  
HETATM   32  N   UNL     1      -7.226  -0.488  -0.352  1.00  0.00           N  
HETATM   33  C   UNL     1      -9.884   2.041  -0.581  1.00  0.00           C  
HETATM   34  O   UNL     1     -11.531   1.090   0.957  1.00  0.00           O  
HETATM   35  S   UNL     1      -3.630  -0.239  -0.488  1.00  0.00           S  
HETATM   36  C   UNL     1      -0.645  -0.389   0.664  1.00  0.00           C  
HETATM   37  H   UNL     1       1.830   2.341   2.884  1.00  0.00           H  
HETATM   38  H   UNL     1       0.272   1.502   3.078  1.00  0.00           H  
HETATM   39  H   UNL     1       1.795   0.635   3.391  1.00  0.00           H  
HETATM   40  H   UNL     1       0.881   1.707   0.683  1.00  0.00           H  
HETATM   41  H   UNL     1       3.185  -0.071   0.924  1.00  0.00           H  
HETATM   42  H   UNL     1       4.896   4.683   0.235  1.00  0.00           H  
HETATM   43  H   UNL     1       5.352   4.689  -1.486  1.00  0.00           H  
HETATM   44  H   UNL     1       3.816   3.949  -0.975  1.00  0.00           H  
HETATM   45  H   UNL     1       7.398   3.488  -1.340  1.00  0.00           H  
HETATM   46  H   UNL     1       8.544   1.333  -1.048  1.00  0.00           H  
HETATM   47  H   UNL     1       7.025  -1.617   0.367  1.00  0.00           H  
HETATM   48  H   UNL     1       9.435  -0.061  -0.438  1.00  0.00           H  
HETATM   49  H   UNL     1      10.366  -1.804   1.013  1.00  0.00           H  
HETATM   50  H   UNL     1       8.981  -2.928   0.664  1.00  0.00           H  
HETATM   51  H   UNL     1      10.240  -3.455  -1.208  1.00  0.00           H  
HETATM   52  H   UNL     1       8.252  -2.511  -1.932  1.00  0.00           H  
HETATM   53  H   UNL     1       9.355  -1.227  -2.595  1.00  0.00           H  
HETATM   54  H   UNL     1       4.995  -0.340   0.651  1.00  0.00           H  
HETATM   55  H   UNL     1       2.295  -1.516   1.872  1.00  0.00           H  
HETATM   56  H   UNL     1       1.137  -3.671   1.618  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.163  -3.743   0.750  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.052  -3.748   0.045  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.386  -3.346  -0.878  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.145   0.145  -2.038  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.744  -1.529  -2.112  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.772  -0.484  -1.792  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.727   1.962  -0.372  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.309   1.792  -2.052  1.00  0.00           H  
HETATM   65  H   UNL     1     -11.311   0.446  -1.006  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.033  -1.268   0.105  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.256  -0.087   1.211  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.818   0.168   0.297  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.786   2.719   0.267  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.370   2.550  -1.413  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.182   1.786   0.796  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.143   0.532   0.399  1.00  0.00           H  
CONECT    1    2   37   38   39                                       
CONECT    2    1    3   18   40                                       
CONECT    3    2    4   41                                            
CONECT    4    3    5   17   17                                       
CONECT    5    4    6    6   16                                       
CONECT    6    7    5    5    8                                       
CONECT    7    6   42   43   44                                       
CONECT    8    6    9    9   45                                       
CONECT    9    8    8   10   46                                       
CONECT   10   16   16    9   11                                       
CONECT   11   10   12   47                                            
CONECT   12   15   13   11   48                                       
CONECT   13   14   12   49   50                                       
CONECT   14   15   13   51                                            
CONECT   15   14   12   52   53                                       
CONECT   16    5   10   10   54                                       
CONECT   17    4    4                                                 
CONECT   18    2   19   19   36                                       
CONECT   19   18   18   20   55                                       
CONECT   20   19   21   21   56                                       
CONECT   21   20   20   22   57                                       
CONECT   22   36   36   21   23                                       
CONECT   23   22   35   24   24                                       
CONECT   24   23   23   25   58                                       
CONECT   25   24   31   31   59                                       
CONECT   26   32   31   60   61                                       
CONECT   27   28   30   32   62                                       
CONECT   28   33   27   63   64                                       
CONECT   29   34   33   30   65                                       
CONECT   30   29   27   66   67                                       
CONECT   31   35   26   25   25                                       
CONECT   32   27   26   68                                            
CONECT   33   29   28   69   70                                       
CONECT   34   29   71                                                 
CONECT   35   23   31                                                 
CONECT   36   18   22   22   72                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   36                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
