COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      19.554  24.902 -14.338  1.00  0.00           C  
HETATM    2  O   UNL     1      19.601  26.018 -15.001  1.00  0.00           O  
HETATM    3  C   UNL     1      18.294  24.362 -13.793  1.00  0.00           C  
HETATM    4  C   UNL     1      17.481  25.519 -13.108  1.00  0.00           C  
HETATM    5  C   UNL     1      18.258  26.113 -11.910  1.00  0.00           C  
HETATM    6  C   UNL     1      17.424  27.245 -11.345  1.00  0.00           C  
HETATM    7  C   UNL     1      17.969  27.896 -10.040  1.00  0.00           C  
HETATM    8  S   UNL     1      17.873  26.832  -8.584  1.00  0.00           S  
HETATM    9  C   UNL     1      18.476  28.200  -7.529  1.00  0.00           C  
HETATM   10  C   UNL     1      17.697  29.408  -8.074  1.00  0.00           C  
HETATM   11  N   UNL     1      16.348  29.608  -7.427  1.00  0.00           N  
HETATM   12  C   UNL     1      15.441  29.422  -8.389  1.00  0.00           C  
HETATM   13  O   UNL     1      14.158  29.431  -8.138  1.00  0.00           O  
HETATM   14  N   UNL     1      15.915  29.219  -9.676  1.00  0.00           N  
HETATM   15  C   UNL     1      17.370  29.261  -9.613  1.00  0.00           C  
HETATM   16  N   UNL     1      20.649  24.104 -14.098  1.00  0.00           N  
HETATM   17  C   UNL     1      22.002  24.679 -14.443  1.00  0.00           C  
HETATM   18  C   UNL     1      22.299  24.031 -15.745  1.00  0.00           C  
HETATM   19  C   UNL     1      23.363  24.916 -16.425  1.00  0.00           C  
HETATM   20 CO   UNL     1      28.321  24.432 -18.257  1.00  0.00          Co  
HETATM   21  C   UNL     1      27.158  21.452 -17.661  1.00  0.00           C  
HETATM   22  C   UNL     1      26.297  20.532 -17.158  1.00  0.00           C  
HETATM   23  C   UNL     1      25.235  20.965 -16.470  1.00  0.00           C  
HETATM   24  C   UNL     1      25.104  22.301 -16.305  1.00  0.00           C  
HETATM   25  C   UNL     1      25.930  23.318 -16.773  1.00  0.00           C  
HETATM   26  C   UNL     1      25.701  24.742 -16.510  1.00  0.00           C  
HETATM   27  C   UNL     1      25.695  25.657 -17.657  1.00  0.00           C  
HETATM   28  C   UNL     1      24.747  26.584 -17.788  1.00  0.00           C  
HETATM   29  C   UNL     1      24.814  27.495 -18.758  1.00  0.00           C  
HETATM   30  C   UNL     1      25.840  27.554 -19.589  1.00  0.00           C  
HETATM   31  C   UNL     1      26.828  26.710 -19.429  1.00  0.00           C  
HETATM   32  C   UNL     1      27.940  26.740 -20.151  1.00  0.00           C  
HETATM   33  C   UNL     1      28.154  27.652 -21.119  1.00  0.00           C  
HETATM   34  C   UNL     1      29.277  27.745 -21.826  1.00  0.00           C  
HETATM   35  C   UNL     1      30.268  26.908 -21.598  1.00  0.00           C  
HETATM   36  C   UNL     1      30.072  25.989 -20.655  1.00  0.00           C  
HETATM   37  C   UNL     1      26.742  25.130 -15.516  1.00  0.00           C  
HETATM   38  C   UNL     1      26.594  25.484 -14.201  1.00  0.00           C  
HETATM   39  C   UNL     1      27.716  25.733 -13.454  1.00  0.00           C  
HETATM   40  C   UNL     1      28.937  25.562 -13.975  1.00  0.00           C  
HETATM   41  C   UNL     1      29.126  25.212 -15.283  1.00  0.00           C  
HETATM   42  C   UNL     1      30.351  24.859 -16.055  1.00  0.00           C  
HETATM   43  C   UNL     1      31.544  24.654 -15.557  1.00  0.00           C  
HETATM   44  C   UNL     1      32.613  24.238 -16.267  1.00  0.00           C  
HETATM   45  C   UNL     1      32.524  23.868 -17.525  1.00  0.00           C  
HETATM   46  C   UNL     1      31.329  23.944 -18.038  1.00  0.00           C  
HETATM   47  N   UNL     1      26.979  22.799 -17.466  1.00  0.00           N  
HETATM   48  N   UNL     1      28.018  25.015 -15.958  1.00  0.00           N  
HETATM   49  N   UNL     1      30.308  24.370 -17.295  1.00  0.00           N  
HETATM   50  N   UNL     1      28.933  25.893 -19.952  1.00  0.00           N  
HETATM   51  N   UNL     1      26.708  25.808 -18.492  1.00  0.00           N  
HETATM   52  O   UNL     1      24.557  24.966 -15.606  1.00  0.00           O  
HETATM   53  O   UNL     1      28.422  23.124 -20.392  1.00  0.00           O  
HETATM   54  H   UNL     1      17.698  23.928 -14.609  1.00  0.00           H  
HETATM   55  H   UNL     1      18.520  23.583 -13.050  1.00  0.00           H  
HETATM   56  H   UNL     1      17.296  26.314 -13.846  1.00  0.00           H  
HETATM   57  H   UNL     1      16.520  25.120 -12.751  1.00  0.00           H  
HETATM   58  H   UNL     1      18.413  25.341 -11.142  1.00  0.00           H  
HETATM   59  H   UNL     1      19.233  26.496 -12.247  1.00  0.00           H  
HETATM   60  H   UNL     1      17.356  28.031 -12.112  1.00  0.00           H  
HETATM   61  H   UNL     1      16.419  26.852 -11.133  1.00  0.00           H  
HETATM   62  H   UNL     1      19.047  28.055 -10.191  1.00  0.00           H  
HETATM   63  H   UNL     1      18.240  28.019  -6.470  1.00  0.00           H  
HETATM   64  H   UNL     1      19.561  28.342  -7.643  1.00  0.00           H  
HETATM   65  H   UNL     1      18.304  30.315  -7.934  1.00  0.00           H  
HETATM   66  H   UNL     1      16.169  29.834  -6.470  1.00  0.00           H  
HETATM   67  H   UNL     1      15.361  29.071 -10.495  1.00  0.00           H  
HETATM   68  H   UNL     1      17.802  30.091 -10.191  1.00  0.00           H  
HETATM   69  H   UNL     1      20.553  23.186 -13.713  1.00  0.00           H  
HETATM   70  H   UNL     1      22.753  24.412 -13.685  1.00  0.00           H  
HETATM   71  H   UNL     1      21.956  25.773 -14.544  1.00  0.00           H  
HETATM   72  H   UNL     1      21.391  23.981 -16.364  1.00  0.00           H  
HETATM   73  H   UNL     1      22.691  23.015 -15.586  1.00  0.00           H  
HETATM   74  H   UNL     1      23.613  24.495 -17.410  1.00  0.00           H  
HETATM   75  H   UNL     1      22.965  25.933 -16.552  1.00  0.00           H  
HETATM   76  H   UNL     1      28.010  21.114 -18.232  1.00  0.00           H  
HETATM   77  H   UNL     1      26.465  19.476 -17.309  1.00  0.00           H  
HETATM   78  H   UNL     1      24.511  20.275 -16.062  1.00  0.00           H  
HETATM   79  H   UNL     1      24.244  22.621 -15.734  1.00  0.00           H  
HETATM   80  H   UNL     1      23.915  26.597 -17.100  1.00  0.00           H  
HETATM   81  H   UNL     1      24.008  28.205 -18.868  1.00  0.00           H  
HETATM   82  H   UNL     1      25.863  28.284 -20.384  1.00  0.00           H  
HETATM   83  H   UNL     1      27.362  28.354 -21.335  1.00  0.00           H  
HETATM   84  H   UNL     1      29.376  28.506 -22.586  1.00  0.00           H  
HETATM   85  H   UNL     1      31.195  26.964 -22.149  1.00  0.00           H  
HETATM   86  H   UNL     1      30.867  25.288 -20.446  1.00  0.00           H  
HETATM   87  H   UNL     1      25.611  25.565 -13.761  1.00  0.00           H  
HETATM   88  H   UNL     1      27.614  26.071 -12.433  1.00  0.00           H  
HETATM   89  H   UNL     1      29.800  25.705 -13.342  1.00  0.00           H  
HETATM   90  H   UNL     1      31.683  24.831 -14.501  1.00  0.00           H  
HETATM   91  H   UNL     1      33.578  24.208 -15.783  1.00  0.00           H  
HETATM   92  H   UNL     1      33.378  23.526 -18.091  1.00  0.00           H  
HETATM   93  H   UNL     1      31.165  23.661 -19.067  1.00  0.00           H  
CONECT    1    2    2   16    3                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   54   55                                       
CONECT    4    3    5   56   57                                       
CONECT    5    4    6   58   59                                       
CONECT    6    5    7   60   61                                       
CONECT    7    6   15    8   62                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   63   64                                       
CONECT   10   15    9   11   65                                       
CONECT   11   12   10   66                                            
CONECT   12   14   13   13   11                                       
CONECT   13   12   12                                                 
CONECT   14   15   12   67                                            
CONECT   15    7   14   10   68                                       
CONECT   16   17    1   69                                            
CONECT   17   18   16   70   71                                       
CONECT   18   19   17   72   73                                       
CONECT   19   18   52   74   75                                       
CONECT   20   50   51   47   49                                       
CONECT   20   48   53                                                 
CONECT   21   47   47   22   76                                       
CONECT   22   21   23   23   77                                       
CONECT   23   22   22   24   78                                       
CONECT   24   25   25   23   79                                       
CONECT   25   47   26   24   24                                       
CONECT   26   27   25   52   37                                       
CONECT   27   51   51   28   26                                       
CONECT   28   29   29   27   80                                       
CONECT   29   30   28   28   81                                       
CONECT   30   31   31   29   82                                       
CONECT   31   32   30   30   51                                       
CONECT   32   33   33   50   31                                       
CONECT   33   34   32   32   83                                       
CONECT   34   35   35   33   84                                       
CONECT   35   34   34   36   85                                       
CONECT   36   35   50   50   86                                       
CONECT   37   26   48   48   38                                       
CONECT   38   37   39   39   87                                       
CONECT   39   38   38   40   88                                       
CONECT   40   41   41   39   89                                       
CONECT   41   42   48   40   40                                       
CONECT   42   49   49   43   41                                       
CONECT   43   44   44   42   90                                       
CONECT   44   45   43   43   91                                       
CONECT   45   46   46   44   92                                       
CONECT   46   45   45   49   93                                       
CONECT   47   20   21   21   25                                       
CONECT   48   20   37   37   41                                       
CONECT   49   20   46   42   42                                       
CONECT   50   36   36   32   20                                       
CONECT   51   31   20   27   27                                       
CONECT   52   26   19                                                 
CONECT   53   20                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    4                                                      
CONECT   57    4                                                      
CONECT   58    5                                                      
CONECT   59    5                                                      
CONECT   60    6                                                      
CONECT   61    6                                                      
CONECT   62    7                                                      
CONECT   63    9                                                      
CONECT   64    9                                                      
CONECT   65   10                                                      
CONECT   66   11                                                      
CONECT   67   14                                                      
CONECT   68   15                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   17                                                      
CONECT   72   18                                                      
CONECT   73   18                                                      
CONECT   74   19                                                      
CONECT   75   19                                                      
CONECT   76   21                                                      
CONECT   77   22                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   28                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   36                                                      
CONECT   87   38                                                      
CONECT   88   39                                                      
CONECT   89   40                                                      
CONECT   90   43                                                      
CONECT   91   44                                                      
CONECT   92   45                                                      
CONECT   93   46                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
