COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.745  -1.126  -1.347  1.00  0.00           O  
HETATM    2  C   UNL     1      -7.479  -0.973  -0.394  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.689  -1.856  -0.225  1.00  0.00           C  
HETATM    4  N   UNL     1      -7.211  -0.017   0.517  1.00  0.00           N  
HETATM    5  C   UNL     1      -6.035   0.734   0.416  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.529   1.072  -0.832  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.368   1.814  -0.928  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.373   1.149   1.565  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.213   1.891   1.463  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.709   2.221   0.218  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.443   3.031   0.110  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.238   2.089   0.064  1.00  0.00           C  
HETATM   13  S   UNL     1       0.283   3.062  -0.065  1.00  0.00           S  
HETATM   14  C   UNL     1       1.474   1.764  -0.097  1.00  0.00           C  
HETATM   15  N   UNL     1       1.077   0.502  -0.035  1.00  0.00           N  
HETATM   16  C   UNL     1       1.939  -0.502  -0.060  1.00  0.00           C  
HETATM   17  C   UNL     1       3.314  -0.271  -0.153  1.00  0.00           C  
HETATM   18  C   UNL     1       3.774   1.022  -0.224  1.00  0.00           C  
HETATM   19  C   UNL     1       5.242   1.334  -0.338  1.00  0.00           C  
HETATM   20  C   UNL     1       6.062   0.106   0.064  1.00  0.00           C  
HETATM   21  C   UNL     1       7.529   0.322  -0.313  1.00  0.00           C  
HETATM   22  C   UNL     1       5.947  -0.117   1.574  1.00  0.00           C  
HETATM   23  O   UNL     1       5.545  -1.034  -0.631  1.00  0.00           O  
HETATM   24  C   UNL     1       4.259  -1.443  -0.166  1.00  0.00           C  
HETATM   25  C   UNL     1       2.843   2.072  -0.195  1.00  0.00           C  
HETATM   26  C   UNL     1       3.279   3.434  -0.269  1.00  0.00           C  
HETATM   27  N   UNL     1       3.625   4.514  -0.328  1.00  0.00           N  
HETATM   28  N   UNL     1       1.471  -1.804   0.009  1.00  0.00           N  
HETATM   29  C   UNL     1       0.669  -2.136  -1.180  1.00  0.00           C  
HETATM   30  C   UNL     1       0.321  -3.625  -1.139  1.00  0.00           C  
HETATM   31  C   UNL     1       1.559  -4.455  -1.480  1.00  0.00           C  
HETATM   32  O   UNL     1      -0.231  -4.002   0.105  1.00  0.00           O  
HETATM   33  C   UNL     1       0.251  -3.475   1.322  1.00  0.00           C  
HETATM   34  C   UNL     1       1.430  -4.293   1.856  1.00  0.00           C  
HETATM   35  C   UNL     1       0.652  -2.006   1.214  1.00  0.00           C  
HETATM   36  H   UNL     1      -8.417  -2.737   0.356  1.00  0.00           H  
HETATM   37  H   UNL     1      -9.472  -1.305   0.295  1.00  0.00           H  
HETATM   38  H   UNL     1      -9.052  -2.166  -1.205  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.832   0.150   1.242  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.043   0.754  -1.727  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.974   2.077  -1.899  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.766   0.891   2.538  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.698   2.214   2.356  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.471   3.629  -0.801  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.358   3.689   0.974  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.210   1.491   0.975  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.323   1.431  -0.800  1.00  0.00           H  
HETATM   48  H   UNL     1       5.476   1.605  -1.367  1.00  0.00           H  
HETATM   49  H   UNL     1       5.488   2.166   0.322  1.00  0.00           H  
HETATM   50  H   UNL     1       8.110  -0.557  -0.031  1.00  0.00           H  
HETATM   51  H   UNL     1       7.608   0.481  -1.388  1.00  0.00           H  
HETATM   52  H   UNL     1       7.914   1.196   0.213  1.00  0.00           H  
HETATM   53  H   UNL     1       4.902  -0.277   1.839  1.00  0.00           H  
HETATM   54  H   UNL     1       6.532  -0.992   1.857  1.00  0.00           H  
HETATM   55  H   UNL     1       6.325   0.760   2.100  1.00  0.00           H  
HETATM   56  H   UNL     1       4.351  -1.844   0.843  1.00  0.00           H  
HETATM   57  H   UNL     1       3.865  -2.216  -0.825  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.245  -1.544  -1.179  1.00  0.00           H  
HETATM   59  H   UNL     1       1.246  -1.919  -2.079  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.432  -3.813  -1.926  1.00  0.00           H  
HETATM   61  H   UNL     1       2.346  -4.249  -0.754  1.00  0.00           H  
HETATM   62  H   UNL     1       1.306  -5.515  -1.449  1.00  0.00           H  
HETATM   63  H   UNL     1       1.909  -4.194  -2.478  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.559  -3.544   2.073  1.00  0.00           H  
HETATM   65  H   UNL     1       2.241  -4.280   1.128  1.00  0.00           H  
HETATM   66  H   UNL     1       1.778  -3.861   2.794  1.00  0.00           H  
HETATM   67  H   UNL     1       1.111  -5.322   2.026  1.00  0.00           H  
HETATM   68  H   UNL     1       1.226  -1.715   2.094  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.244  -1.386   1.149  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1    4                                       
CONECT    3    2   36   37   38                                       
CONECT    4    2    5   39                                            
CONECT    5    4    8    8    6                                       
CONECT    6    5    7    7   40                                       
CONECT    7    6    6   10   41                                       
CONECT    8    5    5    9   42                                       
CONECT    9    8   10   10   43                                       
CONECT   10    9    9    7   11                                       
CONECT   11   10   12   44   45                                       
CONECT   12   11   13   46   47                                       
CONECT   13   12   14                                                 
CONECT   14   15   15   25   13                                       
CONECT   15   16   14   14                                            
CONECT   16   28   17   17   15                                       
CONECT   17   24   16   16   18                                       
CONECT   18   17   25   25   19                                       
CONECT   19   20   18   48   49                                       
CONECT   20   23   21   22   19                                       
CONECT   21   20   50   51   52                                       
CONECT   22   20   53   54   55                                       
CONECT   23   24   20                                                 
CONECT   24   17   23   56   57                                       
CONECT   25   14   18   18   26                                       
CONECT   26   25   27   27   27                                       
CONECT   27   26   26   26                                            
CONECT   28   29   35   16                                            
CONECT   29   30   28   58   59                                       
CONECT   30   31   32   29   60                                       
CONECT   31   30   61   62   63                                       
CONECT   32   30   33                                                 
CONECT   33   32   34   35   64                                       
CONECT   34   33   65   66   67                                       
CONECT   35   33   28   68   69                                       
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   24                                                      
CONECT   57   24                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
CONECT   60   30                                                      
CONECT   61   31                                                      
CONECT   62   31                                                      
CONECT   63   31                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
