COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.113  -1.213  -0.200  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.546  -1.550  -0.523  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.467  -0.477   0.063  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.909  -0.750  -0.370  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.810   0.389   0.111  1.00  0.00           C  
HETATM    6  C   UNL     1     -11.252   0.115  -0.322  1.00  0.00           C  
HETATM    7  C   UNL     1     -12.153   1.254   0.160  1.00  0.00           C  
HETATM    8  C   UNL     1     -13.595   0.981  -0.273  1.00  0.00           C  
HETATM    9  C   UNL     1     -14.496   2.120   0.208  1.00  0.00           C  
HETATM   10  C   UNL     1     -15.938   1.847  -0.225  1.00  0.00           C  
HETATM   11  C   UNL     1     -16.840   2.986   0.256  1.00  0.00           C  
HETATM   12  C   UNL     1     -18.281   2.713  -0.177  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.422  -1.355  -0.065  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.141  -2.112  -0.421  1.00  0.00           C  
HETATM   15  C   UNL     1       1.260  -1.875  -0.079  1.00  0.00           C  
HETATM   16  C   UNL     1       2.451  -1.134   0.470  1.00  0.00           C  
HETATM   17  C   UNL     1       3.732  -1.891   0.114  1.00  0.00           C  
HETATM   18  N   UNL     1       0.017  -1.391   0.113  1.00  0.00           N  
HETATM   19  O   UNL     1      -4.854  -0.213   0.436  1.00  0.00           O  
HETATM   20  O   UNL     1      -7.384  -0.506   1.489  1.00  0.00           O  
HETATM   21  O   UNL     1       1.420  -2.908  -0.696  1.00  0.00           O  
HETATM   22  S   UNL     1      -3.852  -2.245  -0.725  1.00  0.00           S  
HETATM   23  C   UNL     1       6.133  -1.654   0.456  1.00  0.00           C  
HETATM   24  C   UNL     1       7.315  -0.972   1.095  1.00  0.00           C  
HETATM   25  N   UNL     1       4.890  -1.170   0.649  1.00  0.00           N  
HETATM   26  O   UNL     1       6.300  -2.639  -0.231  1.00  0.00           O  
HETATM   27  C   UNL     1       8.189  -0.343   0.008  1.00  0.00           C  
HETATM   28  C   UNL     1       9.302   0.480   0.661  1.00  0.00           C  
HETATM   29  C   UNL     1      13.057   3.539  -1.438  1.00  0.00           C  
HETATM   30  C   UNL     1       8.808  -1.447  -0.851  1.00  0.00           C  
HETATM   31  C   UNL     1       7.331   0.568  -0.873  1.00  0.00           C  
HETATM   32  O   UNL     1      10.118   1.067  -0.354  1.00  0.00           O  
HETATM   33  O   UNL     1      11.988   2.591  -1.400  1.00  0.00           O  
HETATM   34  O   UNL     1       6.853   0.047   1.984  1.00  0.00           O  
HETATM   35  O   UNL     1      10.966   3.119   0.847  1.00  0.00           O  
HETATM   36  O   UNL     1      12.516   1.131   0.722  1.00  0.00           O  
HETATM   37  P   UNL     1      11.388   2.002  -0.027  1.00  0.00           P  
HETATM   38  H   UNL     1      -6.676  -1.588  -1.605  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.798  -2.519  -0.093  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.158   0.504  -0.299  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.955  -0.816  -1.457  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.247  -1.690   0.066  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.763   0.455   1.198  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.472   1.329  -0.325  1.00  0.00           H  
HETATM   45  H   UNL     1     -11.299   0.049  -1.408  1.00  0.00           H  
HETATM   46  H   UNL     1     -11.590  -0.825   0.115  1.00  0.00           H  
HETATM   47  H   UNL     1     -12.106   1.320   1.247  1.00  0.00           H  
HETATM   48  H   UNL     1     -11.815   2.194  -0.277  1.00  0.00           H  
HETATM   49  H   UNL     1     -13.642   0.915  -1.360  1.00  0.00           H  
HETATM   50  H   UNL     1     -13.933   0.041   0.163  1.00  0.00           H  
HETATM   51  H   UNL     1     -14.450   2.186   1.295  1.00  0.00           H  
HETATM   52  H   UNL     1     -14.158   3.060  -0.228  1.00  0.00           H  
HETATM   53  H   UNL     1     -15.985   1.781  -1.312  1.00  0.00           H  
HETATM   54  H   UNL     1     -16.277   0.907   0.211  1.00  0.00           H  
HETATM   55  H   UNL     1     -16.793   3.052   1.343  1.00  0.00           H  
HETATM   56  H   UNL     1     -16.501   3.926  -0.180  1.00  0.00           H  
HETATM   57  H   UNL     1     -18.328   2.646  -1.264  1.00  0.00           H  
HETATM   58  H   UNL     1     -18.620   1.773   0.259  1.00  0.00           H  
HETATM   59  H   UNL     1     -18.924   3.524   0.166  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.510  -1.279   1.019  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.385  -0.355  -0.497  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.178  -3.112   0.011  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.053  -2.188  -1.505  1.00  0.00           H  
HETATM   64  H   UNL     1       2.488  -0.134   0.038  1.00  0.00           H  
HETATM   65  H   UNL     1       2.363  -1.058   1.554  1.00  0.00           H  
HETATM   66  H   UNL     1       3.695  -2.891   0.547  1.00  0.00           H  
HETATM   67  H   UNL     1       3.820  -1.967  -0.970  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.111  -0.565   0.606  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.644  -1.351   1.881  1.00  0.00           H  
HETATM   70  H   UNL     1       7.899  -1.703   1.653  1.00  0.00           H  
HETATM   71  H   UNL     1       4.762  -0.344   1.142  1.00  0.00           H  
HETATM   72  H   UNL     1       8.861   1.267   1.273  1.00  0.00           H  
HETATM   73  H   UNL     1       9.913  -0.169   1.288  1.00  0.00           H  
HETATM   74  H   UNL     1      12.760   4.443  -0.906  1.00  0.00           H  
HETATM   75  H   UNL     1      13.939   3.112  -0.962  1.00  0.00           H  
HETATM   76  H   UNL     1      13.287   3.786  -2.474  1.00  0.00           H  
HETATM   77  H   UNL     1       8.019  -1.984  -1.377  1.00  0.00           H  
HETATM   78  H   UNL     1       9.491  -1.003  -1.576  1.00  0.00           H  
HETATM   79  H   UNL     1       9.356  -2.140  -0.213  1.00  0.00           H  
HETATM   80  H   UNL     1       6.890   1.355  -0.261  1.00  0.00           H  
HETATM   81  H   UNL     1       7.954   1.016  -1.647  1.00  0.00           H  
HETATM   82  H   UNL     1       6.539  -0.018  -1.338  1.00  0.00           H  
HETATM   83  H   UNL     1       6.325   0.734   1.554  1.00  0.00           H  
HETATM   84  H   UNL     1      12.840   0.380   0.206  1.00  0.00           H  
CONECT    1   19   19   22    2                                       
CONECT    2    1    3   38   39                                       
CONECT    3    2    4   20   40                                       
CONECT    4    3    5   41   42                                       
CONECT    5    4    6   43   44                                       
CONECT    6    5    7   45   46                                       
CONECT    7    6    8   47   48                                       
CONECT    8    7    9   49   50                                       
CONECT    9    8   10   51   52                                       
CONECT   10    9   11   53   54                                       
CONECT   11   10   12   55   56                                       
CONECT   12   11   57   58   59                                       
CONECT   13   14   22   60   61                                       
CONECT   14   13   18   62   63                                       
CONECT   15   16   21   21   18                                       
CONECT   16   15   17   64   65                                       
CONECT   17   16   25   66   67                                       
CONECT   18   14   15   68                                            
CONECT   19    1    1                                                 
CONECT   20    3   69                                                 
CONECT   21   15   15                                                 
CONECT   22    1   13                                                 
CONECT   23   24   25   26   26                                       
CONECT   24   23   27   34   70                                       
CONECT   25   17   23   71                                            
CONECT   26   23   23                                                 
CONECT   27   24   28   31   30                                       
CONECT   28   27   32   72   73                                       
CONECT   29   33   74   75   76                                       
CONECT   30   27   77   78   79                                       
CONECT   31   27   80   81   82                                       
CONECT   32   28   37                                                 
CONECT   33   29   37                                                 
CONECT   34   24   83                                                 
CONECT   35   37   37                                                 
CONECT   36   37   84                                                 
CONECT   37   32   33   35   35                                       
CONECT   37   36                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   20                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   31                                                      
CONECT   82   31                                                      
CONECT   83   34                                                      
CONECT   84   36                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
