COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       1.876  -3.881  -0.030  1.00  0.00           C  
HETATM    2  C   UNL     1       1.473  -2.715   0.876  1.00  0.00           C  
HETATM    3  C   UNL     1       1.965  -2.981   2.300  1.00  0.00           C  
HETATM    4  N   UNL     1       3.517  -2.379  -1.925  1.00  0.00           N  
HETATM    5  C   UNL     1       1.434  -3.580  -1.465  1.00  0.00           C  
HETATM    6  C   UNL     1       4.074   5.041   0.643  1.00  0.00           C  
HETATM    7  C   UNL     1       5.338   5.293   0.142  1.00  0.00           C  
HETATM    8  C   UNL     1       6.238   4.256  -0.017  1.00  0.00           C  
HETATM    9  C   UNL     1       7.615   4.530  -0.563  1.00  0.00           C  
HETATM   10  O   UNL     1       8.506   4.820   0.516  1.00  0.00           O  
HETATM   11  C   UNL     1       5.874   2.967   0.325  1.00  0.00           C  
HETATM   12  C   UNL     1       4.610   2.714   0.825  1.00  0.00           C  
HETATM   13  C   UNL     1       3.712   3.753   0.989  1.00  0.00           C  
HETATM   14  C   UNL     1       2.335   3.478   1.535  1.00  0.00           C  
HETATM   15  N   UNL     1       1.423   3.175   0.429  1.00  0.00           N  
HETATM   16  C   UNL     1       0.129   2.895   0.680  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.281   2.894   1.821  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.809   2.583  -0.458  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.304   1.351  -1.211  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.208   2.304   0.096  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.146   1.992  -1.041  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.736   1.993  -2.183  1.00  0.00           O  
HETATM   23  N   UNL     1      -4.440   1.712  -0.790  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.352   1.409  -1.896  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.729   1.134  -1.350  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.631   2.171  -1.197  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.895   1.919  -0.696  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.256   0.631  -0.349  1.00  0.00           C  
HETATM   29  C   UNL     1     -10.634   0.356   0.198  1.00  0.00           C  
HETATM   30  O   UNL     1     -11.524   0.060  -0.880  1.00  0.00           O  
HETATM   31  C   UNL     1      -8.355  -0.406  -0.503  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.093  -0.155  -1.009  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.149   1.110   1.051  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.645  -0.122   0.298  1.00  0.00           C  
HETATM   35  O   UNL     1      -1.590  -1.237   1.189  1.00  0.00           O  
HETATM   36  C   UNL     1      -2.796  -2.002   1.238  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.624  -3.163   2.219  1.00  0.00           C  
HETATM   38 CL   UNL     1      -2.404  -2.514   3.887  1.00  0.00          Cl  
HETATM   39  C   UNL     1      -0.246   0.157  -0.256  1.00  0.00           C  
HETATM   40  O   UNL     1       0.226  -0.993  -0.961  1.00  0.00           O  
HETATM   41  C   UNL     1       1.646  -1.150  -0.933  1.00  0.00           C  
HETATM   42  O   UNL     1       2.061  -1.508   0.387  1.00  0.00           O  
HETATM   43  O   UNL     1       1.490  -1.951   3.169  1.00  0.00           O  
HETATM   44  O   UNL     1       1.243  -5.079   0.424  1.00  0.00           O  
HETATM   45  O   UNL     1       1.872  -4.630  -2.330  1.00  0.00           O  
HETATM   46  C   UNL     1       2.057  -2.254  -1.912  1.00  0.00           C  
HETATM   47  C   UNL     1       4.336  -2.215  -0.861  1.00  0.00           C  
HETATM   48  N   UNL     1       4.240  -2.668  -2.950  1.00  0.00           N  
HETATM   49  N   UNL     1       5.483  -2.697  -2.622  1.00  0.00           N  
HETATM   50  C   UNL     1       5.593  -2.424  -1.316  1.00  0.00           C  
HETATM   51  C   UNL     1       6.866  -2.357  -0.513  1.00  0.00           C  
HETATM   52  N   UNL     1       7.227  -3.705  -0.054  1.00  0.00           N1+
HETATM   53  H   UNL     1       2.958  -4.008  -0.001  1.00  0.00           H  
HETATM   54  H   UNL     1       0.387  -2.616   0.880  1.00  0.00           H  
HETATM   55  H   UNL     1       1.589  -3.946   2.640  1.00  0.00           H  
HETATM   56  H   UNL     1       3.055  -2.992   2.312  1.00  0.00           H  
HETATM   57  H   UNL     1       0.347  -3.506  -1.504  1.00  0.00           H  
HETATM   58  H   UNL     1       3.371   5.851   0.767  1.00  0.00           H  
HETATM   59  H   UNL     1       5.622   6.300  -0.125  1.00  0.00           H  
HETATM   60  H   UNL     1       7.973   3.654  -1.104  1.00  0.00           H  
HETATM   61  H   UNL     1       7.574   5.384  -1.240  1.00  0.00           H  
HETATM   62  H   UNL     1       9.413   5.007   0.237  1.00  0.00           H  
HETATM   63  H   UNL     1       6.577   2.156   0.201  1.00  0.00           H  
HETATM   64  H   UNL     1       4.326   1.707   1.092  1.00  0.00           H  
HETATM   65  H   UNL     1       2.376   2.627   2.215  1.00  0.00           H  
HETATM   66  H   UNL     1       1.975   4.356   2.072  1.00  0.00           H  
HETATM   67  H   UNL     1       1.751   3.175  -0.484  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.851   3.434  -1.138  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.983   1.125  -2.034  1.00  0.00           H  
HETATM   70  H   UNL     1       0.692   1.550  -1.606  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.568   3.182   0.633  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.768   1.712   0.123  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.393   2.260  -2.576  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.992   0.531  -2.433  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.348   3.177  -1.467  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.599   2.729  -0.575  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.592  -0.494   0.878  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.993   1.234   0.735  1.00  0.00           H  
HETATM   79  H   UNL     1     -12.431  -0.127  -0.601  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.639  -1.413  -0.237  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.389  -0.965  -1.130  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.471   1.336   1.874  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.146   0.911   1.446  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.323  -0.347  -0.525  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.617  -1.365   1.569  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.018  -2.394   0.246  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.511  -3.797   2.191  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.749  -3.749   1.939  1.00  0.00           H  
HETATM   89  H   UNL     1       0.432   0.383   0.566  1.00  0.00           H  
HETATM   90  H   UNL     1       2.121  -0.213  -1.222  1.00  0.00           H  
HETATM   91  H   UNL     1       1.764  -2.056   4.090  1.00  0.00           H  
HETATM   92  H   UNL     1       1.477  -5.330   1.328  1.00  0.00           H  
HETATM   93  H   UNL     1       1.521  -5.501  -2.101  1.00  0.00           H  
HETATM   94  H   UNL     1       1.703  -2.005  -2.912  1.00  0.00           H  
HETATM   95  H   UNL     1       4.045  -1.966   0.149  1.00  0.00           H  
HETATM   96  H   UNL     1       7.668  -1.958  -1.135  1.00  0.00           H  
HETATM   97  H   UNL     1       6.718  -1.707   0.349  1.00  0.00           H  
HETATM   98  H   UNL     1       8.080  -3.659   0.484  1.00  0.00           H  
HETATM   99  H   UNL     1       6.486  -4.074   0.522  1.00  0.00           H  
HETATM  100  H   UNL     1       7.365  -4.306  -0.852  1.00  0.00           H  
CONECT    1    5    2   44   53                                       
CONECT    2   42    1    3   54                                       
CONECT    3    2   43   55   56                                       
CONECT    4   46   47   48                                            
CONECT    5   46   45    1   57                                       
CONECT    6   13   13    7   58                                       
CONECT    7    6    8    8   59                                       
CONECT    8    7    7   11    9                                       
CONECT    9    8   10   60   61                                       
CONECT   10    9   62                                                 
CONECT   11   12   12    8   63                                       
CONECT   12   13   11   11   64                                       
CONECT   13   14    6    6   12                                       
CONECT   14   13   15   65   66                                       
CONECT   15   14   16   67                                            
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   20   19   68                                       
CONECT   19   18   39   69   70                                       
CONECT   20   21   18   33   71                                       
CONECT   21   23   22   22   20                                       
CONECT   22   21   21                                                 
CONECT   23   24   21   72                                            
CONECT   24   25   23   73   74                                       
CONECT   25   32   24   26   26                                       
CONECT   26   25   25   27   75                                       
CONECT   27   28   28   26   76                                       
CONECT   28   31   29   27   27                                       
CONECT   29   30   28   77   78                                       
CONECT   30   29   79                                                 
CONECT   31   32   32   28   80                                       
CONECT   32   31   31   25   81                                       
CONECT   33   20   34   82   83                                       
CONECT   34   33   35   39   84                                       
CONECT   35   34   36                                                 
CONECT   36   35   37   85   86                                       
CONECT   37   38   36   87   88                                       
CONECT   38   37                                                      
CONECT   39   19   34   40   89                                       
CONECT   40   39   41                                                 
CONECT   41   40   46   42   90                                       
CONECT   42   41    2                                                 
CONECT   43    3   91                                                 
CONECT   44    1   92                                                 
CONECT   45    5   93                                                 
CONECT   46   41    5    4   94                                       
CONECT   47    4   50   50   95                                       
CONECT   48    4   49   49                                            
CONECT   49   50   48   48                                            
CONECT   50   47   47   51   49                                       
CONECT   51   50   52   96   97                                       
CONECT   52   51   98   99  100                                       
CONECT   53    1                                                      
CONECT   54    2                                                      
CONECT   55    3                                                      
CONECT   56    3                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    9                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   14                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   23                                                      
CONECT   73   24                                                      
CONECT   74   24                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   29                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   31                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   37                                                      
CONECT   89   39                                                      
CONECT   90   41                                                      
CONECT   91   43                                                      
CONECT   92   44                                                      
CONECT   93   45                                                      
CONECT   94   46                                                      
CONECT   95   47                                                      
CONECT   96   51                                                      
CONECT   97   51                                                      
CONECT   98   52                                                      
CONECT   99   52                                                      
CONECT  100   52                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
