COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -9.535  -7.339   2.212  1.00  0.00           N  
HETATM    2  C   UNL     1      -9.391  -6.787   0.858  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.702  -5.423   0.934  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.552  -4.848  -0.476  1.00  0.00           C  
HETATM    5  N   UNL     1      -7.892  -3.542  -0.404  1.00  0.00           N  
HETATM    6  C   UNL     1      -8.520  -2.342  -0.366  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.582  -1.360  -0.303  1.00  0.00           C  
HETATM    8  N   UNL     1      -7.851   0.019  -0.251  1.00  0.00           N  
HETATM    9  C   UNL     1      -6.851   0.908  -0.224  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.705   0.501  -0.263  1.00  0.00           O  
HETATM   11  C   UNL     1      -7.084   2.351  -0.150  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.080   3.298  -0.129  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.709   4.555  -0.051  1.00  0.00           C  
HETATM   14  N   UNL     1      -5.976   5.759  -0.009  1.00  0.00           N  
HETATM   15  C   UNL     1      -4.647   5.637  -0.082  1.00  0.00           C  
HETATM   16  O   UNL     1      -4.214   4.505  -0.199  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.664   6.702  -0.037  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.327   6.478  -0.068  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.667   7.790  -0.009  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.282   7.983  -0.019  1.00  0.00           N  
HETATM   21  C   UNL     1       0.555   6.923  -0.056  1.00  0.00           C  
HETATM   22  O   UNL     1       0.104   5.797  -0.080  1.00  0.00           O  
HETATM   23  C   UNL     1       2.042   7.135  -0.069  1.00  0.00           C  
HETATM   24  C   UNL     1       2.785   5.792  -0.068  1.00  0.00           C  
HETATM   25  C   UNL     1       4.285   6.076  -0.010  1.00  0.00           C  
HETATM   26  N   UNL     1       5.076   4.830  -0.052  1.00  0.00           N  
HETATM   27  C   UNL     1       6.418   5.009  -0.002  1.00  0.00           C  
HETATM   28  O   UNL     1       6.828   6.155   0.024  1.00  0.00           O  
HETATM   29  C   UNL     1       7.411   3.940   0.041  1.00  0.00           C  
HETATM   30  C   UNL     1       7.215   2.578   0.042  1.00  0.00           C  
HETATM   31  C   UNL     1       8.478   1.977   0.082  1.00  0.00           C  
HETATM   32  N   UNL     1       8.763   0.589   0.111  1.00  0.00           N  
HETATM   33  C   UNL     1       7.703  -0.254   0.066  1.00  0.00           C  
HETATM   34  O   UNL     1       6.574   0.196  -0.012  1.00  0.00           O  
HETATM   35  C   UNL     1       7.907  -1.705   0.112  1.00  0.00           C  
HETATM   36  C   UNL     1       6.895  -2.640   0.062  1.00  0.00           C  
HETATM   37  C   UNL     1       7.506  -3.906   0.129  1.00  0.00           C  
HETATM   38  N   UNL     1       6.771  -5.109   0.101  1.00  0.00           N  
HETATM   39  C   UNL     1       5.443  -4.993  -0.005  1.00  0.00           C  
HETATM   40  O   UNL     1       4.988  -3.867  -0.068  1.00  0.00           O  
HETATM   41  C   UNL     1       4.488  -6.099  -0.052  1.00  0.00           C  
HETATM   42  N   UNL     1       3.180  -5.926  -0.121  1.00  0.00           N  
HETATM   43  C   UNL     1       2.581  -7.117  -0.150  1.00  0.00           C  
HETATM   44  N   UNL     1       1.196  -7.303  -0.217  1.00  0.00           N  
HETATM   45  C   UNL     1       0.352  -6.250  -0.227  1.00  0.00           C  
HETATM   46  O   UNL     1       0.791  -5.120  -0.191  1.00  0.00           O  
HETATM   47  C   UNL     1      -1.134  -6.479  -0.282  1.00  0.00           C  
HETATM   48  C   UNL     1      -1.893  -5.147  -0.267  1.00  0.00           C  
HETATM   49  C   UNL     1      -3.386  -5.445  -0.401  1.00  0.00           C  
HETATM   50  N   UNL     1      -4.190  -4.208  -0.345  1.00  0.00           N  
HETATM   51  C   UNL     1      -5.532  -4.400  -0.386  1.00  0.00           C  
HETATM   52  O   UNL     1      -5.937  -5.546  -0.446  1.00  0.00           O  
HETATM   53  C   UNL     1      -6.525  -3.331  -0.364  1.00  0.00           C  
HETATM   54  C   UNL     1      -6.320  -1.972  -0.302  1.00  0.00           C  
HETATM   55  C   UNL     1       3.543  -8.079  -0.100  1.00  0.00           C  
HETATM   56  N   UNL     1       4.746  -7.436  -0.038  1.00  0.00           N  
HETATM   57  C   UNL     1       6.067  -8.067   0.032  1.00  0.00           C  
HETATM   58  C   UNL     1       8.841  -3.720   0.219  1.00  0.00           C  
HETATM   59  N   UNL     1       9.099  -2.382   0.211  1.00  0.00           N  
HETATM   60  C   UNL     1      10.426  -1.767   0.293  1.00  0.00           C  
HETATM   61  C   UNL     1       9.412   2.962   0.094  1.00  0.00           C  
HETATM   62  N   UNL     1       8.778   4.160   0.060  1.00  0.00           N  
HETATM   63  C   UNL     1       9.432   5.471   0.051  1.00  0.00           C  
HETATM   64  C   UNL     1      -2.628   8.721   0.054  1.00  0.00           C  
HETATM   65  N   UNL     1      -3.870   8.076   0.039  1.00  0.00           N1+
HETATM   66  C   UNL     1      -4.606   8.395   1.269  1.00  0.00           C  
HETATM   67  C   UNL     1      -8.043   4.354  -0.029  1.00  0.00           C  
HETATM   68  N   UNL     1      -8.286   3.014  -0.089  1.00  0.00           N  
HETATM   69  C   UNL     1      -9.609   2.385  -0.090  1.00  0.00           C  
HETATM   70  H   UNL     1     -10.179  -6.737   2.703  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.992  -8.233   2.113  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.376  -6.672   0.406  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.790  -7.464   0.251  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.717  -5.538   1.386  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.303  -4.745   1.540  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.537  -4.733  -0.929  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.951  -5.526  -1.083  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.589  -2.190  -0.382  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.770   0.330  -0.234  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.017   3.111  -0.165  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.409   6.623   0.067  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.838   5.517  -0.125  1.00  0.00           H  
HETATM   83  H   UNL     1       0.080   8.882   0.001  1.00  0.00           H  
HETATM   84  H   UNL     1       2.316   7.696  -0.962  1.00  0.00           H  
HETATM   85  H   UNL     1       2.330   7.705   0.814  1.00  0.00           H  
HETATM   86  H   UNL     1       2.487   5.208   0.803  1.00  0.00           H  
HETATM   87  H   UNL     1       2.549   5.241  -0.979  1.00  0.00           H  
HETATM   88  H   UNL     1       4.562   6.702  -0.859  1.00  0.00           H  
HETATM   89  H   UNL     1       4.511   6.610   0.913  1.00  0.00           H  
HETATM   90  H   UNL     1       4.667   3.952  -0.111  1.00  0.00           H  
HETATM   91  H   UNL     1       6.263   2.068   0.002  1.00  0.00           H  
HETATM   92  H   UNL     1       9.674   0.258   0.160  1.00  0.00           H  
HETATM   93  H   UNL     1       5.836  -2.440  -0.014  1.00  0.00           H  
HETATM   94  H   UNL     1       7.206  -5.974   0.156  1.00  0.00           H  
HETATM   95  H   UNL     1       0.836  -8.203  -0.258  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.379  -7.021  -1.196  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.437  -7.074   0.579  1.00  0.00           H  
HETATM   98  H   UNL     1      -1.705  -4.627   0.673  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.565  -4.527  -1.102  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.565  -5.943  -1.353  1.00  0.00           H  
HETATM  101  H   UNL     1      -3.691  -6.106   0.410  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.790  -3.327  -0.282  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.365  -1.469  -0.261  1.00  0.00           H  
HETATM  104  H   UNL     1       3.385  -9.147  -0.109  1.00  0.00           H  
HETATM  105  H   UNL     1       6.500  -8.114  -0.967  1.00  0.00           H  
HETATM  106  H   UNL     1       6.716  -7.480   0.681  1.00  0.00           H  
HETATM  107  H   UNL     1       5.967  -9.076   0.433  1.00  0.00           H  
HETATM  108  H   UNL     1       9.582  -4.503   0.287  1.00  0.00           H  
HETATM  109  H   UNL     1      10.757  -1.481  -0.705  1.00  0.00           H  
HETATM  110  H   UNL     1      10.378  -0.882   0.927  1.00  0.00           H  
HETATM  111  H   UNL     1      11.131  -2.481   0.719  1.00  0.00           H  
HETATM  112  H   UNL     1      10.482   2.816   0.124  1.00  0.00           H  
HETATM  113  H   UNL     1       8.788   6.202   0.539  1.00  0.00           H  
HETATM  114  H   UNL     1      10.380   5.408   0.586  1.00  0.00           H  
HETATM  115  H   UNL     1       9.616   5.779  -0.978  1.00  0.00           H  
HETATM  116  H   UNL     1      -2.471   9.788   0.108  1.00  0.00           H  
HETATM  117  H   UNL     1      -4.401   8.383  -0.763  1.00  0.00           H  
HETATM  118  H   UNL     1      -4.781   9.470   1.320  1.00  0.00           H  
HETATM  119  H   UNL     1      -5.562   7.871   1.268  1.00  0.00           H  
HETATM  120  H   UNL     1      -4.021   8.082   2.134  1.00  0.00           H  
HETATM  121  H   UNL     1      -8.794   5.128   0.027  1.00  0.00           H  
HETATM  122  H   UNL     1      -9.899   2.150  -1.114  1.00  0.00           H  
HETATM  123  H   UNL     1      -9.575   1.467   0.498  1.00  0.00           H  
HETATM  124  H   UNL     1     -10.337   3.069   0.346  1.00  0.00           H  
CONECT    1    2   70   71                                            
CONECT    2    1    3   72   73                                       
CONECT    3    2    4   74   75                                       
CONECT    4    3    5   76   77                                       
CONECT    5    4    6   53                                            
CONECT    6    5    7    7   78                                       
CONECT    7    6    6    8   54                                       
CONECT    8    7    9   79                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   12   68                                       
CONECT   12   11   11   13   80                                       
CONECT   13   12   14   67   67                                       
CONECT   14   13   15   81                                            
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   18   65                                       
CONECT   18   17   17   19   82                                       
CONECT   19   18   20   64   64                                       
CONECT   20   19   21   83                                            
CONECT   21   20   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   84   85                                       
CONECT   24   23   25   86   87                                       
CONECT   25   24   26   88   89                                       
CONECT   26   25   27   90                                            
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   30   62                                       
CONECT   30   29   29   31   91                                       
CONECT   31   30   32   61   61                                       
CONECT   32   31   33   92                                            
CONECT   33   32   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   36   36   59                                       
CONECT   36   35   35   37   93                                       
CONECT   37   36   38   58   58                                       
CONECT   38   37   39   94                                            
CONECT   39   38   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   42   42   56                                       
CONECT   42   41   41   43                                            
CONECT   43   42   44   55   55                                       
CONECT   44   43   45   95                                            
CONECT   45   44   46   46   47                                       
CONECT   46   45   45                                                 
CONECT   47   45   48   96   97                                       
CONECT   48   47   49   98   99                                       
CONECT   49   48   50  100  101                                       
CONECT   50   49   51  102                                            
CONECT   51   50   52   52   53                                       
CONECT   52   51   51                                                 
CONECT   53    5   51   54   54                                       
CONECT   54    7   53   53  103                                       
CONECT   55   43   43   56  104                                       
CONECT   56   41   55   57                                            
CONECT   57   56  105  106  107                                       
CONECT   58   37   37   59  108                                       
CONECT   59   35   58   60                                            
CONECT   60   59  109  110  111                                       
CONECT   61   31   31   62  112                                       
CONECT   62   29   61   63                                            
CONECT   63   62  113  114  115                                       
CONECT   64   19   19   65  116                                       
CONECT   65   17   64   66  117                                       
CONECT   66   65  118  119  120                                       
CONECT   67   13   13   68  121                                       
CONECT   68   11   67   69                                            
CONECT   69   68  122  123  124                                       
CONECT   70    1                                                      
CONECT   71    1                                                      
CONECT   72    2                                                      
CONECT   73    2                                                      
CONECT   74    3                                                      
CONECT   75    3                                                      
CONECT   76    4                                                      
CONECT   77    4                                                      
CONECT   78    6                                                      
CONECT   79    8                                                      
CONECT   80   12                                                      
CONECT   81   14                                                      
CONECT   82   18                                                      
CONECT   83   20                                                      
CONECT   84   23                                                      
CONECT   85   23                                                      
CONECT   86   24                                                      
CONECT   87   24                                                      
CONECT   88   25                                                      
CONECT   89   25                                                      
CONECT   90   26                                                      
CONECT   91   30                                                      
CONECT   92   32                                                      
CONECT   93   36                                                      
CONECT   94   38                                                      
CONECT   95   44                                                      
CONECT   96   47                                                      
CONECT   97   47                                                      
CONECT   98   48                                                      
CONECT   99   48                                                      
CONECT  100   49                                                      
CONECT  101   49                                                      
CONECT  102   50                                                      
CONECT  103   54                                                      
CONECT  104   55                                                      
CONECT  105   57                                                      
CONECT  106   57                                                      
CONECT  107   57                                                      
CONECT  108   58                                                      
CONECT  109   60                                                      
CONECT  110   60                                                      
CONECT  111   60                                                      
CONECT  112   61                                                      
CONECT  113   63                                                      
CONECT  114   63                                                      
CONECT  115   63                                                      
CONECT  116   64                                                      
CONECT  117   65                                                      
CONECT  118   66                                                      
CONECT  119   66                                                      
CONECT  120   66                                                      
CONECT  121   67                                                      
CONECT  122   69                                                      
CONECT  123   69                                                      
CONECT  124   69                                                      
MASTER        0    0    0    0    0    0    0    0  124    0  124    0
END
