COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.602   1.697  -1.612  1.00  0.00           C  
HETATM    2  C   UNL     1       2.338   1.217   0.167  1.00  0.00           C  
HETATM    3  C   UNL     1       2.184   2.093  -1.063  1.00  0.00           C  
HETATM    4  N   UNL     1      -7.704   0.517  -0.801  1.00  0.00           N  
HETATM    5  C   UNL     1       5.963   1.919   1.078  1.00  0.00           C  
HETATM    6  C   UNL     1       3.719   1.155   0.665  1.00  0.00           C  
HETATM    7  O   UNL     1       4.085   3.394   1.556  1.00  0.00           O  
HETATM    8  O   UNL     1       4.989  -2.560  -0.018  1.00  0.00           O  
HETATM    9  C   UNL     1       6.012   0.626   0.214  1.00  0.00           C  
HETATM   10  C   UNL     1       4.490   2.328   1.164  1.00  0.00           C  
HETATM   11  C   UNL     1       3.176   1.729  -2.166  1.00  0.00           C  
HETATM   12  C   UNL     1       4.701   0.651  -0.519  1.00  0.00           C  
HETATM   13  C   UNL     1       3.937  -0.611  -0.872  1.00  0.00           C  
HETATM   14  C   UNL     1       4.036  -1.532   0.320  1.00  0.00           C  
HETATM   15  C   UNL     1       2.788  -2.198   0.697  1.00  0.00           C  
HETATM   16  C   UNL     1       1.822  -1.099   1.223  1.00  0.00           C  
HETATM   17  C   UNL     1       1.447  -0.024   0.194  1.00  0.00           C  
HETATM   18  C   UNL     1       1.640   2.081   1.239  1.00  0.00           C  
HETATM   19  C   UNL     1       0.766   2.055  -1.623  1.00  0.00           C  
HETATM   20  C   UNL     1       4.676  -1.286  -2.052  1.00  0.00           C  
HETATM   21  C   UNL     1       3.069  -3.188   1.840  1.00  0.00           C  
HETATM   22  C   UNL     1       2.169  -2.947  -0.449  1.00  0.00           C  
HETATM   23  C   UNL     1       1.978  -4.240  -0.359  1.00  0.00           C  
HETATM   24  O   UNL     1       0.097   0.419   0.572  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.935  -0.291   0.089  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.730  -1.247  -0.622  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.348   0.103   0.433  1.00  0.00           C  
HETATM   28  S   UNL     1      -3.507  -1.042  -0.365  1.00  0.00           S  
HETATM   29  C   UNL     1      -5.126  -0.414   0.159  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.344   0.984  -0.426  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.774   1.443  -0.100  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.027   1.171   1.401  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.569  -0.272   1.455  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.594  -0.742  -0.018  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.224  -1.359  -0.338  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.079   1.035  -0.776  1.00  0.00           C  
HETATM   37  H   UNL     1       5.303   1.463  -2.414  1.00  0.00           H  
HETATM   38  H   UNL     1       4.853   2.678  -1.202  1.00  0.00           H  
HETATM   39  H   UNL     1       2.396   3.133  -0.758  1.00  0.00           H  
HETATM   40  H   UNL     1       6.354   1.722   2.074  1.00  0.00           H  
HETATM   41  H   UNL     1       6.538   2.711   0.597  1.00  0.00           H  
HETATM   42  H   UNL     1       3.753   0.414   1.444  1.00  0.00           H  
HETATM   43  H   UNL     1       5.130  -3.211   0.683  1.00  0.00           H  
HETATM   44  H   UNL     1       6.850   0.669  -0.487  1.00  0.00           H  
HETATM   45  H   UNL     1       6.103  -0.255   0.849  1.00  0.00           H  
HETATM   46  H   UNL     1       3.121   2.490  -2.954  1.00  0.00           H  
HETATM   47  H   UNL     1       2.912   0.769  -2.602  1.00  0.00           H  
HETATM   48  H   UNL     1       2.935  -0.400  -1.176  1.00  0.00           H  
HETATM   49  H   UNL     1       4.448  -1.010   1.177  1.00  0.00           H  
HETATM   50  H   UNL     1       0.900  -1.590   1.562  1.00  0.00           H  
HETATM   51  H   UNL     1       2.277  -0.624   2.096  1.00  0.00           H  
HETATM   52  H   UNL     1       1.360  -0.458  -0.794  1.00  0.00           H  
HETATM   53  H   UNL     1       0.602   2.249   0.952  1.00  0.00           H  
HETATM   54  H   UNL     1       1.674   1.566   2.199  1.00  0.00           H  
HETATM   55  H   UNL     1       2.153   3.039   1.323  1.00  0.00           H  
HETATM   56  H   UNL     1       0.067   2.409  -0.865  1.00  0.00           H  
HETATM   57  H   UNL     1       0.705   2.697  -2.501  1.00  0.00           H  
HETATM   58  H   UNL     1       0.512   1.033  -1.902  1.00  0.00           H  
HETATM   59  H   UNL     1       5.695  -1.528  -1.752  1.00  0.00           H  
HETATM   60  H   UNL     1       4.153  -2.200  -2.333  1.00  0.00           H  
HETATM   61  H   UNL     1       4.700  -0.605  -2.902  1.00  0.00           H  
HETATM   62  H   UNL     1       3.469  -2.648   2.698  1.00  0.00           H  
HETATM   63  H   UNL     1       2.142  -3.687   2.124  1.00  0.00           H  
HETATM   64  H   UNL     1       3.794  -3.931   1.508  1.00  0.00           H  
HETATM   65  H   UNL     1       1.882  -2.419  -1.346  1.00  0.00           H  
HETATM   66  H   UNL     1       2.266  -4.767   0.538  1.00  0.00           H  
HETATM   67  H   UNL     1       1.534  -4.778  -1.183  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.483   0.063   1.514  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.538   1.117   0.081  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.159  -0.360   1.247  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.629   1.679   0.013  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.208   0.953  -1.507  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.944   2.484  -0.374  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.096   1.248   1.962  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.767   1.869   1.793  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.905  -0.905   2.044  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.575  -0.284   1.874  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.419  -1.426  -0.219  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.127  -1.496  -1.415  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.131  -2.322   0.164  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.373   1.237   0.254  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.131   1.956  -1.357  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.753   0.295  -1.208  1.00  0.00           H  
CONECT    1   11   12   37   38                                       
CONECT    2    3    6   17   18                                       
CONECT    3    2   11   19   39                                       
CONECT    4   34   31   36                                            
CONECT    5    9   10   40   41                                       
CONECT    6    2   12   10   42                                       
CONECT    7   10   10                                                 
CONECT    8   14   43                                                 
CONECT    9    5   12   44   45                                       
CONECT   10    5    6    7    7                                       
CONECT   11    1    3   46   47                                       
CONECT   12    1    6    9   13                                       
CONECT   13   12   20   14   48                                       
CONECT   14    8   13   15   49                                       
CONECT   15   14   22   16   21                                       
CONECT   16   15   17   50   51                                       
CONECT   17    2   16   24   52                                       
CONECT   18    2   53   54   55                                       
CONECT   19    3   56   57   58                                       
CONECT   20   13   59   60   61                                       
CONECT   21   15   62   63   64                                       
CONECT   22   15   23   23   65                                       
CONECT   23   22   22   66   67                                       
CONECT   24   17   25                                                 
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   68   69                                       
CONECT   28   27   29                                                 
CONECT   29   28   35   30   70                                       
CONECT   30   29   31   71   72                                       
CONECT   31    4   30   32   73                                       
CONECT   32   31   33   74   75                                       
CONECT   33   32   34   76   77                                       
CONECT   34    4   33   35   78                                       
CONECT   35   29   34   79   80                                       
CONECT   36    4   81   82   83                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    3                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
