COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.495   2.473   2.130  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.162   4.291   0.790  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.310   2.145   0.144  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.635   2.650  -0.148  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.427   3.911   0.380  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.441   0.520   0.150  1.00  0.00           N  
HETATM    7  O   UNL     1      -3.754   2.807  -1.248  1.00  0.00           O  
HETATM    8  C   UNL     1      -7.580   1.766  -0.267  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.104   0.219  -1.121  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.247   1.145   0.156  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.565   1.455   1.464  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.876   2.907   1.903  1.00  0.00           C  
HETATM   13  C   UNL     1       0.336   3.221   2.820  1.00  0.00           C  
HETATM   14  C   UNL     1       1.580   0.551   0.521  1.00  0.00           C  
HETATM   15  C   UNL     1       3.087   0.552   0.533  1.00  0.00           C  
HETATM   16  C   UNL     1       6.268   0.080  -0.125  1.00  0.00           C  
HETATM   17  C   UNL     1       7.556   0.534  -0.761  1.00  0.00           C  
HETATM   18  C   UNL     1       7.931   1.863  -0.692  1.00  0.00           C  
HETATM   19  C   UNL     1       9.113   2.279  -1.276  1.00  0.00           C  
HETATM   20  C   UNL     1       9.920   1.367  -1.929  1.00  0.00           C  
HETATM   21  C   UNL     1       9.545   0.038  -1.998  1.00  0.00           C  
HETATM   22  C   UNL     1       8.367  -0.380  -1.408  1.00  0.00           C  
HETATM   23  C   UNL     1       3.587   0.055   1.890  1.00  0.00           C  
HETATM   24  C   UNL     1       3.224  -1.422   2.058  1.00  0.00           C  
HETATM   25  C   UNL     1       4.038  -2.020   3.207  1.00  0.00           C  
HETATM   26  C   UNL     1       3.675  -3.497   3.375  1.00  0.00           C  
HETATM   27  C   UNL     1       2.182  -3.623   3.687  1.00  0.00           C  
HETATM   28  C   UNL     1       1.368  -3.025   2.538  1.00  0.00           C  
HETATM   29  C   UNL     1       1.731  -1.548   2.371  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.631  -1.193  -1.091  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.626  -1.955  -2.245  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.107  -3.248  -2.223  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.598  -3.786  -1.035  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.116  -5.174  -1.005  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.601  -3.013   0.126  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.113  -1.723   0.093  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.104   3.411   0.674  1.00  0.00           C  
HETATM   38  N   UNL     1       0.900   1.415   1.301  1.00  0.00           N  
HETATM   39  N   UNL     1       3.584  -0.333  -0.524  1.00  0.00           N  
HETATM   40  N   UNL     1      -5.112  -5.894  -2.090  1.00  0.00           N  
HETATM   41  N   UNL     1      -5.601  -5.703   0.171  1.00  0.00           N  
HETATM   42  O   UNL     1      -5.270   1.278   0.028  1.00  0.00           O  
HETATM   43  O   UNL     1       4.694   1.392  -1.834  1.00  0.00           O  
HETATM   44  O   UNL     1       5.129  -1.002  -2.281  1.00  0.00           O  
HETATM   45  O   UNL     1       0.979  -0.226  -0.191  1.00  0.00           O  
HETATM   46  O   UNL     1      -0.721   1.458  -0.891  1.00  0.00           O  
HETATM   47  P   UNL     1      -4.487   1.379  -1.375  1.00  0.00           P  
HETATM   48  S   UNL     1       4.949   0.073  -1.370  1.00  0.00           S  
HETATM   49  H   UNL     1       2.060   3.162   1.502  1.00  0.00           H  
HETATM   50  H   UNL     1       2.153   2.031   2.879  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.001   5.278   1.198  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.624   2.355  -0.468  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.253   4.600   0.472  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.862   0.270   0.988  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.221   3.045  -2.019  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.743   0.782  -0.680  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.389   0.322  -1.937  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.881   0.749   2.232  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.900   3.578   1.044  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.811   2.955   2.461  1.00  0.00           H  
HETATM   61  H   UNL     1       0.170   2.832   3.825  1.00  0.00           H  
HETATM   62  H   UNL     1       0.531   4.293   2.848  1.00  0.00           H  
HETATM   63  H   UNL     1       3.451   1.565   0.360  1.00  0.00           H  
HETATM   64  H   UNL     1       6.394  -0.925   0.276  1.00  0.00           H  
HETATM   65  H   UNL     1       6.001   0.762   0.683  1.00  0.00           H  
HETATM   66  H   UNL     1       7.300   2.576  -0.182  1.00  0.00           H  
HETATM   67  H   UNL     1       9.405   3.317  -1.222  1.00  0.00           H  
HETATM   68  H   UNL     1      10.843   1.692  -2.385  1.00  0.00           H  
HETATM   69  H   UNL     1      10.176  -0.675  -2.508  1.00  0.00           H  
HETATM   70  H   UNL     1       8.074  -1.418  -1.462  1.00  0.00           H  
HETATM   71  H   UNL     1       4.669   0.171   1.944  1.00  0.00           H  
HETATM   72  H   UNL     1       3.119   0.636   2.685  1.00  0.00           H  
HETATM   73  H   UNL     1       3.449  -1.958   1.136  1.00  0.00           H  
HETATM   74  H   UNL     1       5.101  -1.930   2.985  1.00  0.00           H  
HETATM   75  H   UNL     1       3.813  -1.484   4.129  1.00  0.00           H  
HETATM   76  H   UNL     1       3.900  -4.033   2.453  1.00  0.00           H  
HETATM   77  H   UNL     1       4.255  -3.923   4.194  1.00  0.00           H  
HETATM   78  H   UNL     1       1.924  -4.675   3.807  1.00  0.00           H  
HETATM   79  H   UNL     1       1.958  -3.087   4.609  1.00  0.00           H  
HETATM   80  H   UNL     1       1.593  -3.561   1.616  1.00  0.00           H  
HETATM   81  H   UNL     1       0.305  -3.115   2.761  1.00  0.00           H  
HETATM   82  H   UNL     1       1.507  -1.012   3.293  1.00  0.00           H  
HETATM   83  H   UNL     1       1.151  -1.122   1.552  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.245  -1.537  -3.165  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.102  -3.842  -3.125  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.981  -3.424   1.049  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.110  -1.124   0.992  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.116   3.708   0.994  1.00  0.00           H  
HETATM   89  H   UNL     1       3.114  -1.156  -0.729  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.450  -6.802  -2.070  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.604  -5.166   0.980  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.940  -6.611   0.191  1.00  0.00           H  
CONECT    1   13   38   49   50                                       
CONECT    2    5    5   37   51                                       
CONECT    3   37   37    8   42                                       
CONECT    4    5    8    8   52                                       
CONECT    5    2    2    4   53                                       
CONECT    6    9   10   54                                            
CONECT    7   47   55                                                 
CONECT    8    4    4    3   56                                       
CONECT    9   47    6   30   57                                       
CONECT   10   46   46    6   11                                       
CONECT   11   12   10   38   58                                       
CONECT   12   13   11   59   60                                       
CONECT   13   12    1   61   62                                       
CONECT   14   38   45   45   15                                       
CONECT   15   14   39   23   63                                       
CONECT   16   17   48   64   65                                       
CONECT   17   22   22   18   16                                       
CONECT   18   19   19   17   66                                       
CONECT   19   20   18   18   67                                       
CONECT   20   21   21   19   68                                       
CONECT   21   20   20   22   69                                       
CONECT   22   21   17   17   70                                       
CONECT   23   15   24   71   72                                       
CONECT   24   29   23   25   73                                       
CONECT   25   24   26   74   75                                       
CONECT   26   27   25   76   77                                       
CONECT   27   28   26   78   79                                       
CONECT   28   29   27   80   81                                       
CONECT   29   28   24   82   83                                       
CONECT   30    9   31   31   36                                       
CONECT   31   30   30   32   84                                       
CONECT   32   31   33   33   85                                       
CONECT   33   32   32   35   34                                       
CONECT   34   33   40   40   41                                       
CONECT   35   36   36   33   86                                       
CONECT   36   30   35   35   87                                       
CONECT   37    2    3    3   88                                       
CONECT   38   11    1   14                                            
CONECT   39   48   15   89                                            
CONECT   40   34   34   90                                            
CONECT   41   34   91   92                                            
CONECT   42    3   47                                                 
CONECT   43   48   48                                                 
CONECT   44   48   48                                                 
CONECT   45   14   14                                                 
CONECT   46   10   10                                                 
CONECT   47   42    7    9                                            
CONECT   48   43   43   16   44                                       
CONECT   48   44   39                                                 
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   13                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   24                                                      
CONECT   74   25                                                      
CONECT   75   25                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   29                                                      
CONECT   84   31                                                      
CONECT   85   32                                                      
CONECT   86   35                                                      
CONECT   87   36                                                      
CONECT   88   37                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
CONECT   91   41                                                      
CONECT   92   41                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
