COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1     122.626 123.998 111.391  1.00  0.00           N  
HETATM    2  C   UNL     1     123.868 128.335 115.649  1.00  0.00           C  
HETATM    3  C   UNL     1     124.212 129.350 116.449  1.00  0.00           C  
HETATM    4  N   UNL     1     123.842 127.375 112.268  1.00  0.00           N  
HETATM    5  C   UNL     1     123.866 129.306 117.840  1.00  0.00           C  
HETATM    6  O   UNL     1     123.482 126.360 110.282  1.00  0.00           O  
HETATM    7  C   UNL     1     123.525 122.848 111.092  1.00  0.00           C  
HETATM    8  O   UNL     1     125.235 120.529 110.217  1.00  0.00           O  
HETATM    9  C   UNL     1     123.436 126.340 111.509  1.00  0.00           C  
HETATM   10  C   UNL     1     124.172 128.321 114.288  1.00  0.00           C  
HETATM   11  N   UNL     1     123.774 127.290 113.640  1.00  0.00           N  
HETATM   12  C   UNL     1     122.906 125.129 112.257  1.00  0.00           C  
HETATM   13  O   UNL     1     124.606 132.037 120.584  1.00  0.00           O1-
HETATM   14  C   UNL     1     121.442 123.887 110.711  1.00  0.00           C  
HETATM   15  O   UNL     1     123.633 130.744 122.026  1.00  0.00           O  
HETATM   16  C   UNL     1     123.058 122.583 109.608  1.00  0.00           C  
HETATM   17  N   UNL     1     124.015 131.006 120.890  1.00  0.00           N1+
HETATM   18  N   UNL     1     121.667 123.056 109.636  1.00  0.00           N  
HETATM   19  C   UNL     1     124.998 123.256 111.121  1.00  0.00           C  
HETATM   20  O   UNL     1     120.397 124.433 111.010  1.00  0.00           O  
HETATM   21  C   UNL     1     123.210 128.372 118.582  1.00  0.00           C  
HETATM   22  C   UNL     1     123.142 128.860 119.902  1.00  0.00           C  
HETATM   23  C   UNL     1     123.764 130.051 119.866  1.00  0.00           C  
HETATM   24  C   UNL     1     120.704 122.715 108.635  1.00  0.00           C  
HETATM   25  C   UNL     1     120.831 121.536 107.912  1.00  0.00           C  
HETATM   26  C   UNL     1     119.916 121.217 106.926  1.00  0.00           C  
HETATM   27  C   UNL     1     118.876 122.081 106.668  1.00  0.00           C  
HETATM   28  C   UNL     1     118.730 123.258 107.371  1.00  0.00           C  
HETATM   29  C   UNL     1     119.644 123.571 108.362  1.00  0.00           C  
HETATM   30  C   UNL     1     124.653 120.708 109.158  1.00  0.00           C  
HETATM   31  C   UNL     1     126.316 119.618 107.758  1.00  0.00           C  
HETATM   32  C   UNL     1     127.466 119.975 107.065  1.00  0.00           C  
HETATM   33  C   UNL     1     128.551 119.118 107.025  1.00  0.00           C  
HETATM   34  C   UNL     1     128.477 117.908 107.680  1.00  0.00           C  
HETATM   35  C   UNL     1     127.336 117.522 108.348  1.00  0.00           C  
HETATM   36  C   UNL     1     126.253 118.380 108.383  1.00  0.00           C  
HETATM   37  C   UNL     1     123.263 121.739 112.110  1.00  0.00           C  
HETATM   38  N   UNL     1     123.325 121.131 109.222  1.00  0.00           N  
HETATM   39  N   UNL     1     125.232 120.499 107.950  1.00  0.00           N  
HETATM   40  O   UNL     1     124.225 130.369 118.637  1.00  0.00           O  
HETATM   41  O   UNL     1     122.471 120.210 109.845  1.00  0.00           O  
HETATM   42 CL   UNL     1     117.713 121.671 105.438  1.00  0.00          Cl  
HETATM   43 CL   UNL     1     129.871 116.868 107.710  1.00  0.00          Cl  
HETATM   44  H   UNL     1     123.336 127.496 116.072  1.00  0.00           H  
HETATM   45  H   UNL     1     124.748 130.198 116.050  1.00  0.00           H  
HETATM   46  H   UNL     1     124.193 128.205 111.835  1.00  0.00           H  
HETATM   47  H   UNL     1     124.709 129.128 113.811  1.00  0.00           H  
HETATM   48  H   UNL     1     121.976 125.415 112.770  1.00  0.00           H  
HETATM   49  H   UNL     1     123.656 124.822 113.001  1.00  0.00           H  
HETATM   50  H   UNL     1     123.649 123.234 108.947  1.00  0.00           H  
HETATM   51  H   UNL     1     125.308 123.437 112.161  1.00  0.00           H  
HETATM   52  H   UNL     1     125.610 122.450 110.691  1.00  0.00           H  
HETATM   53  H   UNL     1     125.135 124.175 110.532  1.00  0.00           H  
HETATM   54  H   UNL     1     122.815 127.432 118.225  1.00  0.00           H  
HETATM   55  H   UNL     1     122.688 128.381 120.757  1.00  0.00           H  
HETATM   56  H   UNL     1     121.650 120.864 108.121  1.00  0.00           H  
HETATM   57  H   UNL     1     120.016 120.300 106.364  1.00  0.00           H  
HETATM   58  H   UNL     1     117.912 123.928 107.151  1.00  0.00           H  
HETATM   59  H   UNL     1     119.533 124.485 108.926  1.00  0.00           H  
HETATM   60  H   UNL     1     127.513 120.926 106.555  1.00  0.00           H  
HETATM   61  H   UNL     1     129.446 119.394 106.487  1.00  0.00           H  
HETATM   62  H   UNL     1     127.288 116.561 108.838  1.00  0.00           H  
HETATM   63  H   UNL     1     125.352 118.085 108.900  1.00  0.00           H  
HETATM   64  H   UNL     1     123.635 122.051 113.097  1.00  0.00           H  
HETATM   65  H   UNL     1     122.182 121.545 112.170  1.00  0.00           H  
HETATM   66  H   UNL     1     123.783 120.822 111.795  1.00  0.00           H  
HETATM   67  H   UNL     1     124.873 120.993 107.158  1.00  0.00           H  
HETATM   68  H   UNL     1     122.971 119.671 110.447  1.00  0.00           H  
HETATM   69  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
CONECT    1   14    7   12                                            
CONECT    2   10    3    3   44                                       
CONECT    3    2    2    5   45                                       
CONECT    4    9   11   46                                            
CONECT    5    3   21   21   40                                       
CONECT    6    9    9                                                 
CONECT    7   16   19    1   37                                       
CONECT    8   30   30                                                 
CONECT    9    6    6   12    4                                       
CONECT   10   11   11    2   47                                       
CONECT   11    4   10   10                                            
CONECT   12    1    9   48   49                                       
CONECT   13   17   69                                                 
CONECT   14   18   20   20    1                                       
CONECT   15   17   17                                                 
CONECT   16   38   18    7   50                                       
CONECT   17   23   13   15   15                                       
CONECT   18   24   16   14                                            
CONECT   19    7   51   52   53                                       
CONECT   20   14   14                                                 
CONECT   21    5    5   22   54                                       
CONECT   22   21   23   23   55                                       
CONECT   23   40   22   22   17                                       
CONECT   24   25   25   29   18                                       
CONECT   25   26   24   24   56                                       
CONECT   26   27   27   25   57                                       
CONECT   27   42   26   26   28                                       
CONECT   28   27   29   29   58                                       
CONECT   29   28   28   24   59                                       
CONECT   30   39   38    8    8                                       
CONECT   31   32   39   36   36                                       
CONECT   32   33   33   31   60                                       
CONECT   33   32   32   34   61                                       
CONECT   34   33   43   35   35                                       
CONECT   35   34   34   36   62                                       
CONECT   36   31   31   35   63                                       
CONECT   37    7   64   65   66                                       
CONECT   38   30   16   41                                            
CONECT   39   31   30   67                                            
CONECT   40    5   23                                                 
CONECT   41   38   68                                                 
CONECT   42   27                                                      
CONECT   43   34                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47   10                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   16                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   28                                                      
CONECT   59   29                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
CONECT   62   35                                                      
CONECT   63   36                                                      
CONECT   64   37                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
CONECT   67   39                                                      
CONECT   68   41                                                      
CONECT   69   13                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
