COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.614   1.185 -22.387  1.00  0.00           C  
HETATM    2  C   UNL     1       8.834  -0.033 -23.295  1.00  0.00           C  
HETATM    3  C   UNL     1       0.688   6.669 -17.491  1.00  0.00           C  
HETATM    4  C   UNL     1       1.389   6.099 -18.713  1.00  0.00           C  
HETATM    5  C   UNL     1       2.671   5.361 -18.335  1.00  0.00           C  
HETATM    6  C   UNL     1       3.764   5.580 -19.380  1.00  0.00           C  
HETATM    7  C   UNL     1       4.047   4.346 -20.240  1.00  0.00           C  
HETATM    8  C   UNL     1       5.776   2.891 -21.501  1.00  0.00           C  
HETATM    9  C   UNL     1       7.213   3.045 -22.033  1.00  0.00           C  
HETATM   10  C   UNL     1       9.365  -2.337 -23.249  1.00  0.00           C  
HETATM   11  C   UNL     1       8.767  -3.525 -22.468  1.00  0.00           C  
HETATM   12  C   UNL     1       8.939  -5.832 -23.116  1.00  0.00           C  
HETATM   13  C   UNL     1      10.111  -6.160 -24.058  1.00  0.00           C  
HETATM   14  C   UNL     1      10.329  -7.140 -26.452  1.00  0.00           C  
HETATM   15  C   UNL     1       9.605  -7.638 -27.715  1.00  0.00           C  
HETATM   16  C   UNL     1       9.432 -10.212 -27.759  1.00  0.00           C  
HETATM   17  C   UNL     1       7.350 -10.298 -26.307  1.00  0.00           C  
HETATM   18  C   UNL     1       7.814  -9.020 -26.559  1.00  0.00           C  
HETATM   19  C   UNL     1       7.137  -7.901 -26.013  1.00  0.00           C  
HETATM   20  C   UNL     1       6.019  -8.084 -25.225  1.00  0.00           C  
HETATM   21  C   UNL     1       5.558  -9.380 -24.982  1.00  0.00           C  
HETATM   22  C   UNL     1       6.220 -10.486 -25.515  1.00  0.00           C  
HETATM   23  C   UNL     1      10.660 -10.550 -28.644  1.00  0.00           C  
HETATM   24  C   UNL     1      11.268 -11.739 -28.814  1.00  0.00           C  
HETATM   25  C   UNL     1      10.808 -12.972 -28.155  1.00  0.00           C  
HETATM   26  C   UNL     1      11.505 -14.271 -28.351  1.00  0.00           C  
HETATM   27  C   UNL     1      13.349 -15.613 -29.424  1.00  0.00           C  
HETATM   28  C   UNL     1      13.179 -13.091 -29.902  1.00  0.00           C  
HETATM   29  C   UNL     1      12.506 -11.848 -29.709  1.00  0.00           C  
HETATM   30  C   UNL     1      12.998 -10.702 -30.357  1.00  0.00           C  
HETATM   31  C   UNL     1      14.137 -10.807 -31.183  1.00  0.00           C  
HETATM   32  C   UNL     1      14.803 -12.046 -31.388  1.00  0.00           C  
HETATM   33  C   UNL     1      14.314 -13.191 -30.736  1.00  0.00           C  
HETATM   34  N   UNL     1       5.406   4.044 -20.678  1.00  0.00           N  
HETATM   35  N   UNL     1       9.559  -6.644 -25.314  1.00  0.00           N  
HETATM   36  N   UNL     1       9.005  -8.924 -27.400  1.00  0.00           N  
HETATM   37  N   UNL     1      12.670 -14.348 -29.220  1.00  0.00           N  
HETATM   38  O   UNL     1       3.152   3.633 -20.533  1.00  0.00           O  
HETATM   39  O   UNL     1       7.583   1.997 -22.887  1.00  0.00           O  
HETATM   40  O   UNL     1       9.278  -1.127 -22.525  1.00  0.00           O  
HETATM   41  O   UNL     1       8.436  -4.545 -23.384  1.00  0.00           O  
HETATM   42  O   UNL     1      11.513  -7.180 -26.388  1.00  0.00           O  
HETATM   43  S   UNL     1       8.367 -11.318 -27.092  1.00  0.00           S  
HETATM   44  H   UNL     1       8.344   0.839 -21.378  1.00  0.00           H  
HETATM   45  H   UNL     1       9.544   1.771 -22.338  1.00  0.00           H  
HETATM   46  H   UNL     1       9.591   0.210 -24.055  1.00  0.00           H  
HETATM   47  H   UNL     1       7.888  -0.295 -23.791  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.228   7.191 -17.804  1.00  0.00           H  
HETATM   49  H   UNL     1       0.427   5.851 -16.803  1.00  0.00           H  
HETATM   50  H   UNL     1       1.358   7.377 -16.981  1.00  0.00           H  
HETATM   51  H   UNL     1       1.640   6.923 -19.397  1.00  0.00           H  
HETATM   52  H   UNL     1       0.710   5.397 -19.219  1.00  0.00           H  
HETATM   53  H   UNL     1       2.457   4.285 -18.260  1.00  0.00           H  
HETATM   54  H   UNL     1       3.025   5.733 -17.362  1.00  0.00           H  
HETATM   55  H   UNL     1       4.691   5.861 -18.859  1.00  0.00           H  
HETATM   56  H   UNL     1       3.452   6.401 -20.042  1.00  0.00           H  
HETATM   57  H   UNL     1       5.082   2.816 -22.351  1.00  0.00           H  
HETATM   58  H   UNL     1       5.712   1.977 -20.893  1.00  0.00           H  
HETATM   59  H   UNL     1       7.905   3.065 -21.179  1.00  0.00           H  
HETATM   60  H   UNL     1       7.285   3.993 -22.586  1.00  0.00           H  
HETATM   61  H   UNL     1       8.817  -2.224 -24.196  1.00  0.00           H  
HETATM   62  H   UNL     1      10.424  -2.548 -23.460  1.00  0.00           H  
HETATM   63  H   UNL     1       7.863  -3.199 -21.933  1.00  0.00           H  
HETATM   64  H   UNL     1       9.505  -3.902 -21.744  1.00  0.00           H  
HETATM   65  H   UNL     1       8.138  -6.572 -23.264  1.00  0.00           H  
HETATM   66  H   UNL     1       9.289  -5.874 -22.074  1.00  0.00           H  
HETATM   67  H   UNL     1      10.747  -6.936 -23.606  1.00  0.00           H  
HETATM   68  H   UNL     1      10.709  -5.255 -24.238  1.00  0.00           H  
HETATM   69  H   UNL     1      10.324  -7.752 -28.539  1.00  0.00           H  
HETATM   70  H   UNL     1       8.823  -6.921 -28.007  1.00  0.00           H  
HETATM   71  H   UNL     1       7.497  -6.903 -26.214  1.00  0.00           H  
HETATM   72  H   UNL     1       5.506  -7.234 -24.801  1.00  0.00           H  
HETATM   73  H   UNL     1       4.678  -9.528 -24.374  1.00  0.00           H  
HETATM   74  H   UNL     1       5.858 -11.484 -25.314  1.00  0.00           H  
HETATM   75  H   UNL     1      11.455  -9.883 -28.279  1.00  0.00           H  
HETATM   76  H   UNL     1      10.362 -10.245 -29.658  1.00  0.00           H  
HETATM   77  H   UNL     1       9.941 -12.932 -27.512  1.00  0.00           H  
HETATM   78  H   UNL     1      11.147 -15.157 -27.848  1.00  0.00           H  
HETATM   79  H   UNL     1      12.837 -16.401 -28.852  1.00  0.00           H  
HETATM   80  H   UNL     1      13.335 -15.868 -30.494  1.00  0.00           H  
HETATM   81  H   UNL     1      14.391 -15.529 -29.081  1.00  0.00           H  
HETATM   82  H   UNL     1      12.508  -9.749 -30.224  1.00  0.00           H  
HETATM   83  H   UNL     1      14.513  -9.921 -31.673  1.00  0.00           H  
HETATM   84  H   UNL     1      15.668 -12.106 -32.032  1.00  0.00           H  
HETATM   85  H   UNL     1      14.804 -14.144 -30.872  1.00  0.00           H  
HETATM   86  H   UNL     1       6.135   4.668 -20.396  1.00  0.00           H  
HETATM   87  H   UNL     1       8.563  -6.636 -25.407  1.00  0.00           H  
CONECT    1    2   39   44   45                                       
CONECT    2   40    1   46   47                                       
CONECT    3    4   48   49   50                                       
CONECT    4    5    3   51   52                                       
CONECT    5    6    4   53   54                                       
CONECT    6    7    5   55   56                                       
CONECT    7   34   38   38    6                                       
CONECT    8    9   34   57   58                                       
CONECT    9   39    8   59   60                                       
CONECT   10   40   11   61   62                                       
CONECT   11   41   10   63   64                                       
CONECT   12   13   41   65   66                                       
CONECT   13   35   12   67   68                                       
CONECT   14   15   42   42   35                                       
CONECT   15   36   14   69   70                                       
CONECT   16   23   36   36   43                                       
CONECT   17   43   18   18   22                                       
CONECT   18   36   17   17   19                                       
CONECT   19   18   20   20   71                                       
CONECT   20   19   19   21   72                                       
CONECT   21   22   22   20   73                                       
CONECT   22   17   21   21   74                                       
CONECT   23   24   16   75   76                                       
CONECT   24   29   23   25   25                                       
CONECT   25   24   24   26   77                                       
CONECT   26   37   37   25   78                                       
CONECT   27   37   79   80   81                                       
CONECT   28   33   33   29   37                                       
CONECT   29   30   30   28   24                                       
CONECT   30   31   29   29   82                                       
CONECT   31   32   32   30   83                                       
CONECT   32   31   31   33   84                                       
CONECT   33   32   28   28   85                                       
CONECT   34    8    7   86                                            
CONECT   35   14   13   87                                            
CONECT   36   16   16   15   18                                       
CONECT   37   28   27   26   26                                       
CONECT   38    7    7                                                 
CONECT   39    1    9                                                 
CONECT   40    2   10                                                 
CONECT   41   12   11                                                 
CONECT   42   14   14                                                 
CONECT   43   16   17                                                 
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   12                                                      
CONECT   67   13                                                      
CONECT   68   13                                                      
CONECT   69   15                                                      
CONECT   70   15                                                      
CONECT   71   19                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   23                                                      
CONECT   77   25                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   27                                                      
CONECT   81   27                                                      
CONECT   82   30                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
