COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.248   0.277  -0.255  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.468   2.920   0.301  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.455   0.777  -0.045  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.604   2.134   0.280  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.092   2.092  -0.145  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.958   0.590  -0.146  1.00  0.00           C  
HETATM    7  C   UNL     1       4.350   1.055   0.325  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.715  -2.313  -0.947  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.740  -3.289  -0.927  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.881  -4.395  -0.108  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.976  -3.557   0.693  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.186   2.480   2.136  1.00  0.00           C  
HETATM   13  C   UNL     1       0.218   2.726  -0.131  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.843  -2.441  -0.135  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.183   1.068  -0.209  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.929   0.528  -0.441  1.00  0.00           N  
HETATM   17  N   UNL     1      -2.292   2.362   0.052  1.00  0.00           N  
HETATM   18  C   UNL     1      -5.940   2.710   0.644  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.885  -1.394  -0.143  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.683  -0.037  -0.110  1.00  0.00           C  
HETATM   21  N   UNL     1      -7.863  -0.334  -0.181  1.00  0.00           N  
HETATM   22  N   UNL     1      -7.236  -1.590  -0.184  1.00  0.00           N  
HETATM   23  N   UNL     1       5.811   1.065   0.177  1.00  0.00           N  
HETATM   24  C   UNL     1       3.734   2.091  -0.617  1.00  0.00           C  
HETATM   25  N   UNL     1       2.277   2.081  -0.469  1.00  0.00           N  
HETATM   26  C   UNL     1      -3.999  -4.532   0.694  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.915  -2.888  -0.223  1.00  0.00           C  
HETATM   28  C   UNL     1       1.502   3.148  -0.179  1.00  0.00           C  
HETATM   29  C   UNL     1       0.206   1.348  -0.396  1.00  0.00           C  
HETATM   30  N   UNL     1       1.444   0.962  -0.597  1.00  0.00           N  
HETATM   31  C   UNL     1       6.208   0.597  -1.159  1.00  0.00           C  
HETATM   32  C   UNL     1       7.729   0.698  -1.300  1.00  0.00           C  
HETATM   33  N   UNL     1       8.370  -0.107  -0.251  1.00  0.00           N  
HETATM   34  C   UNL     1       7.973   0.360   1.084  1.00  0.00           C  
HETATM   35  C   UNL     1       6.452   0.260   1.226  1.00  0.00           C  
HETATM   36  C   UNL     1       9.831  -0.097  -0.400  1.00  0.00           C  
HETATM   37  C   UNL     1      10.447  -1.134   0.543  1.00  0.00           C  
HETATM   38  O   UNL     1      10.035  -2.443   0.145  1.00  0.00           O  
HETATM   39  C   UNL     1      10.558  -3.490   0.965  1.00  0.00           C  
HETATM   40  H   UNL     1      -3.538   3.976   0.516  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.067   2.459  -1.171  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.039   2.372   0.317  1.00  0.00           H  
HETATM   43  H   UNL     1       3.966   0.065   0.078  1.00  0.00           H  
HETATM   44  H   UNL     1       4.087   1.299   1.355  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.604  -1.450  -1.587  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.864  -3.188  -1.551  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.114  -5.156  -0.097  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.848  -3.665   1.320  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.238   1.410   2.335  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.370   2.917   2.711  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.126   2.949   2.426  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.645   3.341   0.080  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.836  -0.419  -0.633  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.923   3.783   0.454  1.00  0.00           H  
HETATM   55  H   UNL     1       4.118   3.081  -0.370  1.00  0.00           H  
HETATM   56  H   UNL     1       3.997   1.847  -1.647  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.101  -5.396   1.333  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.055  -3.193  -1.260  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.309  -3.631   0.295  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.886  -2.805   0.266  1.00  0.00           H  
HETATM   61  H   UNL     1       1.847   4.158  -0.015  1.00  0.00           H  
HETATM   62  H   UNL     1       5.898  -0.440  -1.288  1.00  0.00           H  
HETATM   63  H   UNL     1       5.730   1.217  -1.918  1.00  0.00           H  
HETATM   64  H   UNL     1       8.028   0.324  -2.280  1.00  0.00           H  
HETATM   65  H   UNL     1       8.035   1.738  -1.199  1.00  0.00           H  
HETATM   66  H   UNL     1       8.451  -0.259   1.843  1.00  0.00           H  
HETATM   67  H   UNL     1       8.283   1.397   1.213  1.00  0.00           H  
HETATM   68  H   UNL     1       6.153   0.633   2.205  1.00  0.00           H  
HETATM   69  H   UNL     1       6.146  -0.781   1.124  1.00  0.00           H  
HETATM   70  H   UNL     1      10.094  -0.342  -1.429  1.00  0.00           H  
HETATM   71  H   UNL     1      10.215   0.892  -0.152  1.00  0.00           H  
HETATM   72  H   UNL     1      11.534  -1.065   0.498  1.00  0.00           H  
HETATM   73  H   UNL     1      10.112  -0.941   1.562  1.00  0.00           H  
HETATM   74  H   UNL     1      11.647  -3.471   0.929  1.00  0.00           H  
HETATM   75  H   UNL     1      10.226  -3.347   1.993  1.00  0.00           H  
HETATM   76  H   UNL     1      10.200  -4.452   0.598  1.00  0.00           H  
CONECT    1    3    3   15                                            
CONECT    2    4    4   17   40                                       
CONECT    3    4   20    1    1                                       
CONECT    4   18    2    2    3                                       
CONECT    5   18    6   41   42                                       
CONECT    6    5   21   21   20                                       
CONECT    7   24   23   43   44                                       
CONECT    8   14    9    9   45                                       
CONECT    9    8    8   10   46                                       
CONECT   10   26   26    9   47                                       
CONECT   11   14   14   26   48                                       
CONECT   12   18   49   50   51                                       
CONECT   13   29   28   28   52                                       
CONECT   14   19   11   11    8                                       
CONECT   15   17   17    1   16                                       
CONECT   16   15   29   53                                            
CONECT   17    2   15   15                                            
CONECT   18   12    5    4   54                                       
CONECT   19   20   20   22   14                                       
CONECT   20    6    3   19   19                                       
CONECT   21    6    6   22                                            
CONECT   22   21   19   27                                            
CONECT   23    7   35   31                                            
CONECT   24   25    7   55   56                                       
CONECT   25   30   28   24                                            
CONECT   26   11   10   10   57                                       
CONECT   27   22   58   59   60                                       
CONECT   28   13   13   25   61                                       
CONECT   29   16   30   30   13                                       
CONECT   30   29   29   25                                            
CONECT   31   23   32   62   63                                       
CONECT   32   31   33   64   65                                       
CONECT   33   34   32   36                                            
CONECT   34   35   33   66   67                                       
CONECT   35   23   34   68   69                                       
CONECT   36   33   37   70   71                                       
CONECT   37   36   38   72   73                                       
CONECT   38   37   39                                                 
CONECT   39   38   74   75   76                                       
CONECT   40    2                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   16                                                      
CONECT   54   18                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   26                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   31                                                      
CONECT   63   31                                                      
CONECT   64   32                                                      
CONECT   65   32                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   39                                                      
CONECT   75   39                                                      
CONECT   76   39                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
