COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.031  -2.001   1.909  1.00  0.00           C  
HETATM    2  N   UNL     1       8.044  -1.486   0.957  1.00  0.00           N  
HETATM    3  C   UNL     1       6.721  -1.840   1.080  1.00  0.00           C  
HETATM    4  N   UNL     1       6.346  -2.634   2.043  1.00  0.00           N  
HETATM    5  N   UNL     1       5.795  -1.356   0.187  1.00  0.00           N  
HETATM    6  C   UNL     1       4.385  -1.734   0.317  1.00  0.00           C  
HETATM    7  C   UNL     1       3.573  -1.064  -0.794  1.00  0.00           C  
HETATM    8  C   UNL     1       2.101  -1.459  -0.657  1.00  0.00           C  
HETATM    9  C   UNL     1       1.289  -0.789  -1.768  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.142  -1.255  -1.699  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.015  -0.674  -2.309  1.00  0.00           O  
HETATM   12  N   UNL     1       1.318   0.679  -1.589  1.00  0.00           N  
HETATM   13  N   UNL     1      -0.435  -2.353  -0.929  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.876  -2.718  -0.922  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.549  -1.953   0.189  1.00  0.00           C  
HETATM   16  O   UNL     1      -2.368  -2.261   1.348  1.00  0.00           O  
HETATM   17  C   UNL     1      -2.026  -4.221  -0.679  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.424  -4.990  -1.856  1.00  0.00           C  
HETATM   19  O   UNL     1       2.401   2.065   0.816  1.00  0.00           O  
HETATM   20  C   UNL     1       4.880   3.006   0.889  1.00  0.00           C  
HETATM   21  C   UNL     1       4.490   3.321  -1.559  1.00  0.00           C  
HETATM   22  C   UNL     1       0.278   1.210  -0.882  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.737   3.336  -1.657  1.00  0.00           C  
HETATM   24  N   UNL     1       1.573   3.262  -0.858  1.00  0.00           N  
HETATM   25  C   UNL     1       3.925   3.579  -0.160  1.00  0.00           C  
HETATM   26  C   UNL     1       2.579   2.914  -0.031  1.00  0.00           C  
HETATM   27  C   UNL     1       0.235   2.700  -0.661  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.235   2.990   0.766  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.760   2.892   0.831  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.596   0.495  -0.441  1.00  0.00           O  
HETATM   31  N   UNL     1      -2.138   1.455   0.832  1.00  0.00           N  
HETATM   32  N   UNL     1      -3.366  -0.909  -0.131  1.00  0.00           N  
HETATM   33  C   UNL     1      -3.973  -0.193   1.013  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.474  -0.209   0.881  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.265  -0.401   1.999  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.641  -0.416   1.878  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.228  -0.240   0.639  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.438  -0.048  -0.479  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.061  -0.027  -0.357  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.480   1.231   1.006  1.00  0.00           C  
HETATM   41  O   UNL     1      -4.251   2.157   1.150  1.00  0.00           O  
HETATM   42  H   UNL     1       8.766  -1.682   2.917  1.00  0.00           H  
HETATM   43  H   UNL     1       9.045  -3.090   1.864  1.00  0.00           H  
HETATM   44  H   UNL     1      10.018  -1.615   1.654  1.00  0.00           H  
HETATM   45  H   UNL     1       8.324  -0.895   0.241  1.00  0.00           H  
HETATM   46  H   UNL     1       5.412  -2.884   2.129  1.00  0.00           H  
HETATM   47  H   UNL     1       6.074  -0.766  -0.530  1.00  0.00           H  
HETATM   48  H   UNL     1       4.290  -2.816   0.235  1.00  0.00           H  
HETATM   49  H   UNL     1       4.010  -1.408   1.288  1.00  0.00           H  
HETATM   50  H   UNL     1       3.669   0.018  -0.712  1.00  0.00           H  
HETATM   51  H   UNL     1       3.948  -1.390  -1.764  1.00  0.00           H  
HETATM   52  H   UNL     1       2.006  -2.541  -0.739  1.00  0.00           H  
HETATM   53  H   UNL     1       1.726  -1.133   0.313  1.00  0.00           H  
HETATM   54  H   UNL     1       1.714  -1.048  -2.738  1.00  0.00           H  
HETATM   55  H   UNL     1       2.031   1.229  -1.950  1.00  0.00           H  
HETATM   56  H   UNL     1       0.238  -2.847  -0.436  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.328  -2.452  -1.877  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.506  -4.495   0.239  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.083  -4.469  -0.585  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.531  -6.061  -1.683  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.944  -4.716  -2.774  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.367  -4.741  -1.950  1.00  0.00           H  
HETATM   63  H   UNL     1       5.853   3.487   0.796  1.00  0.00           H  
HETATM   64  H   UNL     1       4.478   3.190   1.885  1.00  0.00           H  
HETATM   65  H   UNL     1       4.989   1.933   0.734  1.00  0.00           H  
HETATM   66  H   UNL     1       5.463   3.802  -1.652  1.00  0.00           H  
HETATM   67  H   UNL     1       4.598   2.248  -1.714  1.00  0.00           H  
HETATM   68  H   UNL     1       3.809   3.729  -2.306  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.336   3.243  -2.666  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.700   2.827  -1.600  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.869   4.390  -1.414  1.00  0.00           H  
HETATM   72  H   UNL     1       1.735   3.885  -1.583  1.00  0.00           H  
HETATM   73  H   UNL     1       3.816   4.653  -0.005  1.00  0.00           H  
HETATM   74  H   UNL     1       0.205   2.263   1.449  1.00  0.00           H  
HETATM   75  H   UNL     1       0.077   3.994   1.054  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.120   3.367   1.744  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.197   3.386  -0.036  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.493   0.739   0.720  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.539  -0.652  -1.050  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.683  -0.679   1.944  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.806  -0.539   2.967  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.259  -0.566   2.751  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.304  -0.252   0.544  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.897   0.089  -1.447  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.444   0.126  -1.230  1.00  0.00           H  
CONECT    1    2   42   44   43                                       
CONECT    2    1    3   45                                            
CONECT    3    2    5    4    4                                       
CONECT    4    3    3   46                                            
CONECT    5    3    6   47                                            
CONECT    6    5    7   48   49                                       
CONECT    7    6    8   51   50                                       
CONECT    8    7    9   53   52                                       
CONECT    9    8   12   10   54                                       
CONECT   10    9   13   11   11                                       
CONECT   11   10   10                                                 
CONECT   12    9   22   55                                            
CONECT   13   10   14   56                                            
CONECT   14   17   13   15   57                                       
CONECT   15   14   16   16   32                                       
CONECT   16   15   15                                                 
CONECT   17   18   14   59   58                                       
CONECT   18   17   61   62   60                                       
CONECT   19   26   26                                                 
CONECT   20   25   63   64   65                                       
CONECT   21   25   66   67   68                                       
CONECT   22   12   27   30   30                                       
CONECT   23   27   69   70   71                                       
CONECT   24   26   27   72                                            
CONECT   25   21   20   26   73                                       
CONECT   26   25   24   19   19                                       
CONECT   27   24   23   22   28                                       
CONECT   28   27   29   74   75                                       
CONECT   29   28   31   76   77                                       
CONECT   30   22   22                                                 
CONECT   31   29   40   78                                            
CONECT   32   15   33   79                                            
CONECT   33   32   40   34   80                                       
CONECT   34   33   39   39   35                                       
CONECT   35   34   36   36   81                                       
CONECT   36   35   35   37   82                                       
CONECT   37   38   38   36   83                                       
CONECT   38   39   37   37   84                                       
CONECT   39   34   34   38   85                                       
CONECT   40   31   33   41   41                                       
CONECT   41   40   40                                                 
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   21                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   38                                                      
CONECT   85   39                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
