COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.935   1.690   1.076  1.00  0.00           N  
HETATM    2  C   UNL     1       4.897   0.682   0.821  1.00  0.00           C  
HETATM    3  C   UNL     1       3.615   1.370   0.427  1.00  0.00           C  
HETATM    4  O   UNL     1       3.640   2.510   0.015  1.00  0.00           O  
HETATM    5  C   UNL     1       5.349  -0.240  -0.313  1.00  0.00           C  
HETATM    6  C   UNL     1       6.562  -1.020   0.127  1.00  0.00           C  
HETATM    7  C   UNL     1       7.844  -0.697  -0.102  1.00  0.00           C  
HETATM    8  C   UNL     1       6.564  -2.269   0.891  1.00  0.00           C  
HETATM    9  N   UNL     1       8.668  -1.641   0.448  1.00  0.00           N  
HETATM   10  C   UNL     1       7.916  -2.617   1.063  1.00  0.00           C  
HETATM   11  C   UNL     1       5.562  -3.086   1.420  1.00  0.00           C  
HETATM   12  C   UNL     1       8.239  -3.776   1.762  1.00  0.00           C  
HETATM   13  C   UNL     1       5.901  -4.220   2.102  1.00  0.00           C  
HETATM   14  C   UNL     1       7.234  -4.567   2.276  1.00  0.00           C  
HETATM   15  N   UNL     1       2.440   0.718   0.535  1.00  0.00           N  
HETATM   16  C   UNL     1       1.194   1.387   0.152  1.00  0.00           C  
HETATM   17  C   UNL     1       0.040   0.762   0.894  1.00  0.00           C  
HETATM   18  O   UNL     1       0.240  -0.152   1.666  1.00  0.00           O  
HETATM   19  C   UNL     1       0.974   1.233  -1.354  1.00  0.00           C  
HETATM   20  C   UNL     1       2.062   1.964  -2.098  1.00  0.00           C  
HETATM   21  C   UNL     1       3.230   1.304  -2.434  1.00  0.00           C  
HETATM   22  C   UNL     1       1.889   3.290  -2.447  1.00  0.00           C  
HETATM   23  C   UNL     1       4.229   1.972  -3.116  1.00  0.00           C  
HETATM   24  C   UNL     1       2.885   3.962  -3.128  1.00  0.00           C  
HETATM   25  C   UNL     1       4.061   3.304  -3.462  1.00  0.00           C  
HETATM   26  O   UNL     1       5.042   3.963  -4.132  1.00  0.00           O  
HETATM   27  N   UNL     1      -1.213   1.219   0.700  1.00  0.00           N  
HETATM   28  C   UNL     1      -2.334   0.611   1.421  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.606   0.821   0.641  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.690   1.740  -0.146  1.00  0.00           O  
HETATM   31  C   UNL     1      -2.467   1.263   2.799  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.730   2.659   2.642  1.00  0.00           O  
HETATM   33  C   UNL     1      -1.165   1.074   3.581  1.00  0.00           C  
HETATM   34  N   UNL     1      -4.650  -0.012   0.818  1.00  0.00           N  
HETATM   35  C   UNL     1      -5.842   0.118  -0.023  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.827   1.088   0.633  1.00  0.00           C  
HETATM   37  O   UNL     1      -8.038   1.123  -0.124  1.00  0.00           O  
HETATM   38  C   UNL     1      -6.505  -1.252  -0.184  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.568  -2.185  -0.952  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.231  -3.555  -1.112  1.00  0.00           C  
HETATM   41  N   UNL     1      -5.333  -4.449  -1.847  1.00  0.00           N  
HETATM   42  C   UNL     1      -5.715  -5.735  -2.112  1.00  0.00           C  
HETATM   43  N   UNL     1      -6.904  -6.175  -1.702  1.00  0.00           N1+
HETATM   44  N   UNL     1      -4.899  -6.549  -2.781  1.00  0.00           N  
HETATM   45  C   UNL     1      -6.212   2.488   0.677  1.00  0.00           C  
HETATM   46 CL   UNL     1      -7.300   3.594   1.595  1.00  0.00          Cl  
HETATM   47  H   UNL     1       6.106   2.248   0.253  1.00  0.00           H  
HETATM   48  H   UNL     1       5.688   2.271   1.863  1.00  0.00           H  
HETATM   49  H   UNL     1       4.731   0.094   1.724  1.00  0.00           H  
HETATM   50  H   UNL     1       4.544  -0.931  -0.562  1.00  0.00           H  
HETATM   51  H   UNL     1       5.599   0.357  -1.190  1.00  0.00           H  
HETATM   52  H   UNL     1       8.177   0.178  -0.641  1.00  0.00           H  
HETATM   53  H   UNL     1       9.637  -1.624   0.412  1.00  0.00           H  
HETATM   54  H   UNL     1       4.523  -2.822   1.290  1.00  0.00           H  
HETATM   55  H   UNL     1       9.273  -4.055   1.901  1.00  0.00           H  
HETATM   56  H   UNL     1       5.126  -4.851   2.511  1.00  0.00           H  
HETATM   57  H   UNL     1       7.487  -5.466   2.818  1.00  0.00           H  
HETATM   58  H   UNL     1       2.420  -0.194   0.865  1.00  0.00           H  
HETATM   59  H   UNL     1       1.257   2.445   0.404  1.00  0.00           H  
HETATM   60  H   UNL     1       0.999   0.176  -1.619  1.00  0.00           H  
HETATM   61  H   UNL     1       0.005   1.653  -1.625  1.00  0.00           H  
HETATM   62  H   UNL     1       3.361   0.267  -2.164  1.00  0.00           H  
HETATM   63  H   UNL     1       0.974   3.802  -2.186  1.00  0.00           H  
HETATM   64  H   UNL     1       5.141   1.456  -3.379  1.00  0.00           H  
HETATM   65  H   UNL     1       2.749   4.998  -3.401  1.00  0.00           H  
HETATM   66  H   UNL     1       4.967   3.908  -5.095  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.372   1.949   0.082  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.153  -0.457   1.541  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.289   0.798   3.343  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.529   2.854   2.134  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.367   1.639   3.099  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.299   1.433   4.601  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.903   0.017   3.599  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.613  -0.698   1.503  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.555   0.500  -1.003  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.043   0.754   1.648  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.921   1.411  -1.040  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.712  -1.673   0.800  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.439  -1.141  -0.735  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.361  -1.764  -1.936  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.634  -2.296  -0.400  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.438  -3.976  -0.128  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.165  -3.444  -1.663  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.468  -4.129  -2.146  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.498  -5.583  -1.215  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.034  -6.228  -3.080  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.170  -7.461  -2.968  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.175  -7.087  -1.889  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.240   2.443   1.169  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.087   2.861  -0.340  1.00  0.00           H  
CONECT    1    2   47   48                                            
CONECT    2    1    3    5   49                                       
CONECT    3    2    4    4   15                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   50   51                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6    9   52                                       
CONECT    8    6   10   10   11                                       
CONECT    9    7   10   53                                            
CONECT   10    8    8    9   12                                       
CONECT   11    8   13   13   54                                       
CONECT   12   10   14   14   55                                       
CONECT   13   11   11   14   56                                       
CONECT   14   12   12   13   57                                       
CONECT   15   16   58    3                                            
CONECT   16   15   17   19   59                                       
CONECT   17   16   18   18   27                                       
CONECT   18   17   17                                                 
CONECT   19   16   20   60   61                                       
CONECT   20   19   21   21   22                                       
CONECT   21   20   20   23   62                                       
CONECT   22   20   24   24   63                                       
CONECT   23   21   25   25   64                                       
CONECT   24   22   22   25   65                                       
CONECT   25   23   23   24   26                                       
CONECT   26   25   66                                                 
CONECT   27   28   67   17                                            
CONECT   28   27   29   31   68                                       
CONECT   29   28   30   30   34                                       
CONECT   30   29   29                                                 
CONECT   31   28   32   33   69                                       
CONECT   32   31   70                                                 
CONECT   33   31   71   72   73                                       
CONECT   34   35   74   29                                            
CONECT   35   34   36   38   75                                       
CONECT   36   35   37   76   45                                       
CONECT   37   36   77                                                 
CONECT   38   35   39   78   79                                       
CONECT   39   38   40   80   81                                       
CONECT   40   39   41   82   83                                       
CONECT   41   40   42   84                                            
CONECT   42   41   43   43   44                                       
CONECT   43   42   42   85   88                                       
CONECT   44   42   86   87                                            
CONECT   45   46   89   90   36                                       
CONECT   46   45                                                      
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    7                                                      
CONECT   53    9                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   39                                                      
CONECT   82   40                                                      
CONECT   83   40                                                      
CONECT   84   41                                                      
CONECT   85   43                                                      
CONECT   86   44                                                      
CONECT   87   44                                                      
CONECT   88   43                                                      
CONECT   89   45                                                      
CONECT   90   45                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
