COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.568   1.845  -0.394  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.980   1.302   0.751  1.00  0.00           C  
HETATM    3  C   UNL     1       0.958   2.429  -2.129  1.00  0.00           C  
HETATM    4  C   UNL     1       1.586   1.032  -2.143  1.00  0.00           C  
HETATM    5  C   UNL     1       3.095   1.155  -1.920  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.720  -4.164  -2.252  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.611  -2.950  -1.327  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.568  -3.120  -0.145  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.175  -2.830  -0.809  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.057  -1.580   0.067  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.179   0.838   0.046  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.702   0.998   0.298  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.919   1.691  -0.613  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.136   0.447   1.429  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.775   0.596   1.669  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.457  -0.901   3.933  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.536   1.468   0.993  1.00  0.00           C  
HETATM   18  C   UNL     1       0.658   2.310   0.350  1.00  0.00           C  
HETATM   19  C   UNL     1       1.279   3.111  -0.797  1.00  0.00           C  
HETATM   20  C   UNL     1       2.797   3.173  -0.613  1.00  0.00           C  
HETATM   21  C   UNL     1       4.704   1.823  -0.338  1.00  0.00           C  
HETATM   22  C   UNL     1       6.620   2.988   0.195  1.00  0.00           C  
HETATM   23  C   UNL     1       6.781   0.696   0.013  1.00  0.00           C  
HETATM   24  C   UNL     1       6.922  -1.761  -0.190  1.00  0.00           C  
HETATM   25  C   UNL     1       7.959  -2.847  -0.064  1.00  0.00           C  
HETATM   26  C   UNL     1       8.696  -3.231  -1.169  1.00  0.00           C  
HETATM   27  C   UNL     1       9.646  -4.228  -1.054  1.00  0.00           C  
HETATM   28  C   UNL     1       9.861  -4.841   0.166  1.00  0.00           C  
HETATM   29  C   UNL     1       9.125  -4.456   1.271  1.00  0.00           C  
HETATM   30  C   UNL     1       8.178  -3.456   1.158  1.00  0.00           C  
HETATM   31  C   UNL     1       5.425   0.633  -0.292  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.804  -0.465  -1.189  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.974  -1.681  -2.102  1.00  0.00           C  
HETATM   34  N   UNL     1      -7.413  -0.393  -0.721  1.00  0.00           N  
HETATM   35  N   UNL     1      -0.778   2.145   0.109  1.00  0.00           N  
HETATM   36  N   UNL     1       3.350   1.813  -0.632  1.00  0.00           N  
HETATM   37  N   UNL     1       5.333   2.970  -0.090  1.00  0.00           N  
HETATM   38  N   UNL     1       7.337   1.884   0.248  1.00  0.00           N  
HETATM   39  N   UNL     1       7.544  -0.460   0.071  1.00  0.00           N  
HETATM   40  O   UNL     1       0.743   4.436  -0.798  1.00  0.00           O  
HETATM   41  O   UNL     1      -1.029   0.993   1.991  1.00  0.00           O  
HETATM   42  S   UNL     1      -3.048  -0.107   3.112  1.00  0.00           S  
HETATM   43  H   UNL     1      -2.964   2.389  -1.105  1.00  0.00           H  
HETATM   44  H   UNL     1       1.367   3.020  -2.949  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.122   2.345  -2.245  1.00  0.00           H  
HETATM   46  H   UNL     1       1.149   0.429  -1.347  1.00  0.00           H  
HETATM   47  H   UNL     1       1.397   0.558  -3.105  1.00  0.00           H  
HETATM   48  H   UNL     1       3.543   0.161  -1.915  1.00  0.00           H  
HETATM   49  H   UNL     1       3.534   1.746  -2.723  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.456  -5.066  -1.701  1.00  0.00           H  
HETATM   51  H   UNL     1      -9.743  -4.249  -2.620  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.040  -4.041  -3.095  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.306  -4.023   0.407  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.489  -2.255   0.514  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.590  -3.204  -0.514  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.925  -3.712  -0.220  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.489  -2.750  -1.653  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.732  -1.668   0.918  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.032  -1.483   0.425  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.706   0.778   0.998  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.546   1.694  -0.520  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.372   2.112  -1.499  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.751  -0.098   2.129  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.211  -0.149   4.168  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.887  -1.653   3.272  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.120  -1.377   4.854  1.00  0.00           H  
HETATM   67  H   UNL     1       1.132   1.330   0.407  1.00  0.00           H  
HETATM   68  H   UNL     1       0.810   2.842   1.289  1.00  0.00           H  
HETATM   69  H   UNL     1       3.237   3.756  -1.422  1.00  0.00           H  
HETATM   70  H   UNL     1       3.028   3.645   0.342  1.00  0.00           H  
HETATM   71  H   UNL     1       7.100   3.935   0.391  1.00  0.00           H  
HETATM   72  H   UNL     1       6.507  -1.770  -1.197  1.00  0.00           H  
HETATM   73  H   UNL     1       6.125  -1.934   0.533  1.00  0.00           H  
HETATM   74  H   UNL     1       8.528  -2.752  -2.123  1.00  0.00           H  
HETATM   75  H   UNL     1      10.221  -4.528  -1.918  1.00  0.00           H  
HETATM   76  H   UNL     1      10.604  -5.620   0.256  1.00  0.00           H  
HETATM   77  H   UNL     1       9.293  -4.935   2.225  1.00  0.00           H  
HETATM   78  H   UNL     1       7.606  -3.153   2.022  1.00  0.00           H  
HETATM   79  H   UNL     1       4.945  -0.314  -0.488  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.047   0.442  -1.743  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.471  -0.558  -0.332  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.316  -1.582  -2.966  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.009  -1.742  -2.437  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.182   2.524  -0.687  1.00  0.00           H  
HETATM   85  H   UNL     1       8.488  -0.408   0.285  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.216   4.472  -0.913  1.00  0.00           H  
CONECT    1   13    2    2   43                                       
CONECT    2    1    1   15   17                                       
CONECT    3    4   19   44   45                                       
CONECT    4    5    3   46   47                                       
CONECT    5    4   36   48   49                                       
CONECT    6    7   50   51   52                                       
CONECT    7    8   33    6    9                                       
CONECT    8    7   53   54   55                                       
CONECT    9    7   10   56   57                                       
CONECT   10   34    9   58   59                                       
CONECT   11   34   12   60   61                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12    1   62                                       
CONECT   14   12   15   15   63                                       
CONECT   15   14   14    2   42                                       
CONECT   16   42   64   65   66                                       
CONECT   17    2   41   41   35                                       
CONECT   18   35   19   67   68                                       
CONECT   19    3   20   18   40                                       
CONECT   20   36   19   69   70                                       
CONECT   21   31   36   37   37                                       
CONECT   22   38   38   37   71                                       
CONECT   23   39   31   31   38                                       
CONECT   24   25   39   72   73                                       
CONECT   25   26   24   30   30                                       
CONECT   26   27   27   25   74                                       
CONECT   27   26   26   28   75                                       
CONECT   28   27   29   29   76                                       
CONECT   29   28   28   30   77                                       
CONECT   30   25   25   29   78                                       
CONECT   31   23   23   21   79                                       
CONECT   32   33   34   80   81                                       
CONECT   33   32    7   82   83                                       
CONECT   34   32   11   10                                            
CONECT   35   17   18   84                                            
CONECT   36    5   21   20                                            
CONECT   37   21   21   22                                            
CONECT   38   23   22   22                                            
CONECT   39   24   23   85                                            
CONECT   40   19   86                                                 
CONECT   41   17   17                                                 
CONECT   42   15   16                                                 
CONECT   43    1                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    8                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   11                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   22                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   35                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
