COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -7.238   2.332  -0.246  1.00  0.00           N  
HETATM    2  N   UNL     1      -2.802  -3.642   0.368  1.00  0.00           N  
HETATM    3  C   UNL     1      -3.293  -0.122   0.648  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.698   0.251   1.032  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.348   0.052  -0.340  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.441   1.402  -1.055  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.465   3.593  -0.965  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.121   4.176  -1.409  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.513  -2.289   0.402  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.314  -6.029   0.155  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.714  -8.375   0.168  1.00  0.00           C  
HETATM   12  C   UNL     1       0.656   1.184   0.135  1.00  0.00           C  
HETATM   13  C   UNL     1       2.932   0.611  -0.243  1.00  0.00           C  
HETATM   14  C   UNL     1       4.298   1.279  -0.408  1.00  0.00           C  
HETATM   15  C   UNL     1       7.201   1.319   0.510  1.00  0.00           C  
HETATM   16  C   UNL     1       9.725   1.720   1.176  1.00  0.00           C  
HETATM   17  C   UNL     1      11.334   0.553  -0.159  1.00  0.00           C  
HETATM   18  N   UNL     1      -4.334   0.758   0.859  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.153   4.350   0.600  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.068   3.446   0.382  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.366   2.120   0.346  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.608   2.576   1.058  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.521   1.262   1.837  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.730  -4.615   0.147  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.673  -6.868  -1.415  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.941  -0.603   0.265  1.00  0.00           C  
HETATM   27  C   UNL     1       0.378  -0.164   0.094  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.659   1.714   0.516  1.00  0.00           C  
HETATM   29  C   UNL     1       5.366   0.206  -0.634  1.00  0.00           C  
HETATM   30  C   UNL     1       8.703   1.170   0.427  1.00  0.00           C  
HETATM   31  C   UNL     1      11.040   1.412   0.884  1.00  0.00           C  
HETATM   32  C   UNL     1      10.311   0.002  -0.909  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.969   0.349   0.478  1.00  0.00           C  
HETATM   34  C   UNL     1       8.997   0.310  -0.618  1.00  0.00           C  
HETATM   35  C   UNL     1       7.695  -0.130  -1.249  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.338   3.330  -2.194  1.00  0.00           C  
HETATM   37  N   UNL     1      -3.507  -1.429   0.604  1.00  0.00           N  
HETATM   38  N   UNL     1      -1.239  -7.005  -0.067  1.00  0.00           N  
HETATM   39  N   UNL     1      -1.262  -1.905   0.233  1.00  0.00           N  
HETATM   40  N   UNL     1       6.678   0.848  -0.793  1.00  0.00           N  
HETATM   41  O   UNL     1       1.934   1.612  -0.032  1.00  0.00           O  
HETATM   42  H   UNL     1      -3.715  -3.946   0.490  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.668  -0.700   1.564  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.743  -0.634  -0.933  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.348  -0.362  -0.212  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.916   1.266  -2.027  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.439   1.808  -1.195  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.968   4.302  -0.307  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.618   3.468  -2.068  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.290   5.111  -1.943  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.499   4.363  -0.534  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.787  -6.221   1.118  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.056  -6.120  -0.639  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.898  -9.077  -0.003  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.063  -8.467   1.197  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.534  -8.597  -0.515  1.00  0.00           H  
HETATM   57  H   UNL     1       2.693   0.044  -1.142  1.00  0.00           H  
HETATM   58  H   UNL     1       2.958  -0.062   0.614  1.00  0.00           H  
HETATM   59  H   UNL     1       4.272   1.952  -1.265  1.00  0.00           H  
HETATM   60  H   UNL     1       4.537   1.845   0.492  1.00  0.00           H  
HETATM   61  H   UNL     1       6.805   0.705   1.319  1.00  0.00           H  
HETATM   62  H   UNL     1       6.934   2.365   0.666  1.00  0.00           H  
HETATM   63  H   UNL     1       9.496   2.392   1.991  1.00  0.00           H  
HETATM   64  H   UNL     1      12.361   0.312  -0.387  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.163   1.712   0.893  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.778   5.373   0.606  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.887   4.236  -0.198  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.622   4.129   1.559  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.606   2.977   0.908  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.206   3.293   1.621  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.524   0.867   1.999  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.039   1.440   2.798  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.257  -4.422  -0.816  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.988  -4.524   0.941  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.438  -7.104  -2.156  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.329  -5.844  -1.563  1.00  0.00           H  
HETATM   77  H   UNL     1       0.167  -7.553  -1.529  1.00  0.00           H  
HETATM   78  H   UNL     1       1.172  -0.878  -0.070  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.440   2.443   0.677  1.00  0.00           H  
HETATM   80  H   UNL     1       5.392  -0.467   0.223  1.00  0.00           H  
HETATM   81  H   UNL     1       5.127  -0.360  -1.534  1.00  0.00           H  
HETATM   82  H   UNL     1      11.839   1.843   1.469  1.00  0.00           H  
HETATM   83  H   UNL     1      10.541  -0.669  -1.724  1.00  0.00           H  
HETATM   84  H   UNL     1       7.778  -0.108  -2.336  1.00  0.00           H  
HETATM   85  H   UNL     1       7.432  -1.132  -0.911  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.835   2.622  -2.852  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.295   2.916  -1.877  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.506   4.266  -2.727  1.00  0.00           H  
CONECT    1    7    6   22                                            
CONECT    2   24    9   42                                            
CONECT    3   37   18   33   33                                       
CONECT    4    5   18   23   43                                       
CONECT    5    6    4   44   45                                       
CONECT    6    1    5   46   47                                       
CONECT    7   36    8    1   48                                       
CONECT    8    7   49   50   51                                       
CONECT    9    2   37   37   39                                       
CONECT   10   38   24   52   53                                       
CONECT   11   38   54   55   56                                       
CONECT   12   27   27   21   41                                       
CONECT   13   41   14   57   58                                       
CONECT   14   13   29   59   60                                       
CONECT   15   40   30   61   62                                       
CONECT   16   30   30   31   63                                       
CONECT   17   32   31   31   64                                       
CONECT   18    4    3   65                                            
CONECT   19   20   66   67   68                                       
CONECT   20   21   19                                                 
CONECT   21   28   28   12   20                                       
CONECT   22    1   23   69   70                                       
CONECT   23    4   22   71   72                                       
CONECT   24   10    2   73   74                                       
CONECT   25   38   75   76   77                                       
CONECT   26   39   39   33   27                                       
CONECT   27   26   12   12   78                                       
CONECT   28   33   21   21   79                                       
CONECT   29   14   40   80   81                                       
CONECT   30   34   15   16   16                                       
CONECT   31   17   17   16   82                                       
CONECT   32   34   34   17   83                                       
CONECT   33    3    3   26   28                                       
CONECT   34   35   32   32   30                                       
CONECT   35   34   40   84   85                                       
CONECT   36    7   86   87   88                                       
CONECT   37    9    9    3                                            
CONECT   38   25   11   10                                            
CONECT   39    9   26   26                                            
CONECT   40   35   29   15                                            
CONECT   41   12   13                                                 
CONECT   42    2                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   24                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   25                                                      
CONECT   77   25                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   35                                                      
CONECT   85   35                                                      
CONECT   86   36                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
