COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.124   0.766  11.221  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.293   0.534  10.512  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.257  -0.099   9.287  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.044  -0.514   8.744  1.00  0.00           C  
HETATM    5  O   UNL     1      -5.014  -1.136   7.539  1.00  0.00           O  
HETATM    6  C   UNL     1      -3.859  -0.287   9.447  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.561  -0.717   8.891  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.519  -1.486   7.950  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.315  -0.203   9.491  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.095  -0.348   8.837  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.046  -0.971   7.634  1.00  0.00           O  
HETATM   12  C   UNL     1       1.083   0.145   9.415  1.00  0.00           C  
HETATM   13  C   UNL     1       2.365  -0.056   8.649  1.00  0.00           C  
HETATM   14  O   UNL     1       2.133   0.206   7.264  1.00  0.00           O  
HETATM   15  C   UNL     1       3.453   0.882   9.164  1.00  0.00           C  
HETATM   16  C   UNL     1       3.535   0.734  10.688  1.00  0.00           C  
HETATM   17  O   UNL     1       4.684   1.428  11.178  1.00  0.00           O  
HETATM   18  C   UNL     1       3.630  -0.724  11.052  1.00  0.00           C  
HETATM   19  O   UNL     1       2.629  -1.349  11.310  1.00  0.00           O  
HETATM   20  C   UNL     1       4.974  -1.405  11.094  1.00  0.00           C  
HETATM   21  C   UNL     1       2.271   1.336  11.298  1.00  0.00           C  
HETATM   22  C   UNL     1       1.041   0.778  10.631  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.179   0.929  11.303  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.212   1.553  12.507  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.358   0.444  10.743  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.647   0.599  11.441  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.678   0.919  12.614  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.903   0.359  10.697  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.366  -1.218   7.082  1.00  0.00           C  
HETATM   30  C   UNL     1       2.593  -0.938   6.543  1.00  0.00           C  
HETATM   31  C   UNL     1       2.069  -0.879   5.106  1.00  0.00           C  
HETATM   32  C   UNL     1       2.564   0.412   4.446  1.00  0.00           C  
HETATM   33  N   UNL     1       2.201   0.409   3.023  1.00  0.00           N1+
HETATM   34  C   UNL     1       4.088   0.487   4.588  1.00  0.00           C  
HETATM   35  O   UNL     1       4.689  -0.559   3.823  1.00  0.00           O  
HETATM   36  C   UNL     1       4.460   0.321   6.064  1.00  0.00           C  
HETATM   37  O   UNL     1       4.020  -0.950   6.536  1.00  0.00           O  
HETATM   38  C   UNL     1       5.979   0.423   6.218  1.00  0.00           C  
HETATM   39  C   UNL     1       0.740   0.329   2.890  1.00  0.00           C  
HETATM   40  C   UNL     1       0.367   0.326   1.430  1.00  0.00           C  
HETATM   41  C   UNL     1       0.263  -0.870   0.746  1.00  0.00           C  
HETATM   42  C   UNL     1       0.130   1.519   0.774  1.00  0.00           C  
HETATM   43  C   UNL     1       4.867   0.525 -11.842  1.00  0.00           C  
HETATM   44  C   UNL     1       6.035  -0.119 -11.467  1.00  0.00           C  
HETATM   45  C   UNL     1       6.105  -0.803 -10.270  1.00  0.00           C  
HETATM   46  C   UNL     1       5.003  -0.854  -9.422  1.00  0.00           C  
HETATM   47  O   UNL     1       5.077  -1.527  -8.247  1.00  0.00           O  
HETATM   48  C   UNL     1       3.817  -0.213  -9.791  1.00  0.00           C  
HETATM   49  C   UNL     1       2.637  -0.250  -8.907  1.00  0.00           C  
HETATM   50  O   UNL     1       2.742  -0.624  -7.754  1.00  0.00           O  
HETATM   51  C   UNL     1       1.326   0.166  -9.440  1.00  0.00           C  
HETATM   52  C   UNL     1       0.151  -0.122  -8.752  1.00  0.00           C  
HETATM   53  O   UNL     1       0.207  -0.791  -7.574  1.00  0.00           O  
HETATM   54  C   UNL     1      -1.089   0.274  -9.269  1.00  0.00           C  
HETATM   55  C   UNL     1      -2.317  -0.081  -8.470  1.00  0.00           C  
HETATM   56  O   UNL     1      -2.059   0.151  -7.084  1.00  0.00           O  
HETATM   57  C   UNL     1      -3.510   0.764  -8.909  1.00  0.00           C  
HETATM   58  C   UNL     1      -3.633   0.670 -10.435  1.00  0.00           C  
HETATM   59  O   UNL     1      -4.861   1.265 -10.857  1.00  0.00           O  
HETATM   60  C   UNL     1      -3.596  -0.775 -10.859  1.00  0.00           C  
HETATM   61  O   UNL     1      -2.550  -1.282 -11.186  1.00  0.00           O  
HETATM   62  C   UNL     1      -4.866  -1.587 -10.877  1.00  0.00           C  
HETATM   63  C   UNL     1      -2.457   1.419 -11.058  1.00  0.00           C  
HETATM   64  C   UNL     1      -1.154   0.957 -10.457  1.00  0.00           C  
HETATM   65  C   UNL     1       0.020   1.255 -11.162  1.00  0.00           C  
HETATM   66  O   UNL     1      -0.051   1.928 -12.337  1.00  0.00           O  
HETATM   67  C   UNL     1       1.260   0.864 -10.664  1.00  0.00           C  
HETATM   68  C   UNL     1       2.501   1.170 -11.398  1.00  0.00           C  
HETATM   69  O   UNL     1       2.494   1.973 -12.311  1.00  0.00           O  
HETATM   70  C   UNL     1       3.754   0.487 -11.011  1.00  0.00           C  
HETATM   71  C   UNL     1       6.397  -2.068  -8.164  1.00  0.00           C  
HETATM   72  C   UNL     1      -2.386  -1.056  -6.394  1.00  0.00           C  
HETATM   73  C   UNL     1      -1.873  -0.975  -4.955  1.00  0.00           C  
HETATM   74  C   UNL     1      -2.514   0.232  -4.263  1.00  0.00           C  
HETATM   75  N   UNL     1      -2.150   0.235  -2.840  1.00  0.00           N1+
HETATM   76  C   UNL     1      -4.037   0.129  -4.408  1.00  0.00           C  
HETATM   77  O   UNL     1      -4.512  -1.000  -3.675  1.00  0.00           O  
HETATM   78  C   UNL     1      -4.386  -0.034  -5.889  1.00  0.00           C  
HETATM   79  O   UNL     1      -3.802  -1.233  -6.392  1.00  0.00           O  
HETATM   80  C   UNL     1      -5.906  -0.105  -6.048  1.00  0.00           C  
HETATM   81  C   UNL     1      -0.690   0.316  -2.708  1.00  0.00           C  
HETATM   82  C   UNL     1      -0.317   0.319  -1.248  1.00  0.00           C  
HETATM   83  C   UNL     1      -0.078  -0.873  -0.592  1.00  0.00           C  
HETATM   84  C   UNL     1      -0.207   1.516  -0.565  1.00  0.00           C  
HETATM   85  H   UNL     1      -5.163   1.262  12.179  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.240   0.852  10.923  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.175  -0.273   8.745  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.124  -0.283   6.959  1.00  0.00           H  
HETATM   89  H   UNL     1       2.695  -1.088   8.768  1.00  0.00           H  
HETATM   90  H   UNL     1       4.411   0.615   8.717  1.00  0.00           H  
HETATM   91  H   UNL     1       3.201   1.911   8.908  1.00  0.00           H  
HETATM   92  H   UNL     1       4.695   1.308  12.137  1.00  0.00           H  
HETATM   93  H   UNL     1       4.843  -2.450  11.375  1.00  0.00           H  
HETATM   94  H   UNL     1       5.441  -1.348  10.111  1.00  0.00           H  
HETATM   95  H   UNL     1       5.609  -0.909  11.828  1.00  0.00           H  
HETATM   96  H   UNL     1       2.240   1.104  12.362  1.00  0.00           H  
HETATM   97  H   UNL     1       2.291   2.418  11.168  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.352   2.493  12.330  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.392  -1.713   6.112  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.957  -1.789   7.798  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.779  -0.213   6.989  1.00  0.00           H  
HETATM  102  H   UNL     1       2.226  -1.843   7.026  1.00  0.00           H  
HETATM  103  H   UNL     1       0.979  -0.890   5.115  1.00  0.00           H  
HETATM  104  H   UNL     1       2.439  -1.739   4.547  1.00  0.00           H  
HETATM  105  H   UNL     1       2.108   1.271   4.938  1.00  0.00           H  
HETATM  106  H   UNL     1       2.623  -0.387   2.570  1.00  0.00           H  
HETATM  107  H   UNL     1       2.532   1.257   2.589  1.00  0.00           H  
HETATM  108  H   UNL     1       4.445   1.452   4.228  1.00  0.00           H  
HETATM  109  H   UNL     1       5.645  -0.482   3.946  1.00  0.00           H  
HETATM  110  H   UNL     1       3.982   1.109   6.646  1.00  0.00           H  
HETATM  111  H   UNL     1       6.245   0.314   7.270  1.00  0.00           H  
HETATM  112  H   UNL     1       6.457  -0.365   5.638  1.00  0.00           H  
HETATM  113  H   UNL     1       6.316   1.395   5.857  1.00  0.00           H  
HETATM  114  H   UNL     1       0.382  -0.587   3.359  1.00  0.00           H  
HETATM  115  H   UNL     1       0.283   1.189   3.380  1.00  0.00           H  
HETATM  116  H   UNL     1       0.448  -1.803   1.258  1.00  0.00           H  
HETATM  117  H   UNL     1       0.212   2.454   1.309  1.00  0.00           H  
HETATM  118  H   UNL     1       4.823   1.059 -12.780  1.00  0.00           H  
HETATM  119  H   UNL     1       6.897  -0.086 -12.116  1.00  0.00           H  
HETATM  120  H   UNL     1       7.022  -1.301  -9.990  1.00  0.00           H  
HETATM  121  H   UNL     1       0.225  -1.734  -7.789  1.00  0.00           H  
HETATM  122  H   UNL     1      -2.549  -1.135  -8.620  1.00  0.00           H  
HETATM  123  H   UNL     1      -3.351   1.802  -8.617  1.00  0.00           H  
HETATM  124  H   UNL     1      -4.420   0.386  -8.443  1.00  0.00           H  
HETATM  125  H   UNL     1      -4.887   1.200 -11.821  1.00  0.00           H  
HETATM  126  H   UNL     1      -4.643  -2.601 -11.209  1.00  0.00           H  
HETATM  127  H   UNL     1      -5.292  -1.618  -9.875  1.00  0.00           H  
HETATM  128  H   UNL     1      -5.580  -1.129 -11.562  1.00  0.00           H  
HETATM  129  H   UNL     1      -2.576   2.488 -10.878  1.00  0.00           H  
HETATM  130  H   UNL     1      -2.443   1.235 -12.132  1.00  0.00           H  
HETATM  131  H   UNL     1      -0.136   1.264 -13.035  1.00  0.00           H  
HETATM  132  H   UNL     1       6.505  -2.621  -7.231  1.00  0.00           H  
HETATM  133  H   UNL     1       6.568  -2.739  -9.005  1.00  0.00           H  
HETATM  134  H   UNL     1       7.125  -1.257  -8.192  1.00  0.00           H  
HETATM  135  H   UNL     1      -1.917  -1.900  -6.900  1.00  0.00           H  
HETATM  136  H   UNL     1      -2.141  -1.887  -4.420  1.00  0.00           H  
HETATM  137  H   UNL     1      -0.789  -0.860  -4.960  1.00  0.00           H  
HETATM  138  H   UNL     1      -2.163   1.151  -4.732  1.00  0.00           H  
HETATM  139  H   UNL     1      -2.574   1.031  -2.386  1.00  0.00           H  
HETATM  140  H   UNL     1      -2.481  -0.613  -2.406  1.00  0.00           H  
HETATM  141  H   UNL     1      -4.502   1.036  -4.022  1.00  0.00           H  
HETATM  142  H   UNL     1      -5.471  -1.027  -3.793  1.00  0.00           H  
HETATM  143  H   UNL     1      -4.003   0.818  -6.449  1.00  0.00           H  
HETATM  144  H   UNL     1      -6.355   0.812  -5.668  1.00  0.00           H  
HETATM  145  H   UNL     1      -6.156  -0.222  -7.102  1.00  0.00           H  
HETATM  146  H   UNL     1      -6.291  -0.957  -5.487  1.00  0.00           H  
HETATM  147  H   UNL     1      -0.233  -0.543  -3.198  1.00  0.00           H  
HETATM  148  H   UNL     1      -0.333   1.233  -3.176  1.00  0.00           H  
HETATM  149  H   UNL     1      -0.160  -1.808  -1.127  1.00  0.00           H  
HETATM  150  H   UNL     1      -0.392   2.449  -1.077  1.00  0.00           H  
CONECT    1    2    2   28   85                                       
CONECT    2    1    1    3   86                                       
CONECT    3    2    4    4   87                                       
CONECT    4    3    3    5    6                                       
CONECT    5    4   29                                                 
CONECT    6    4    7   28   28                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   25   25                                       
CONECT   10    9   11   12   12                                       
CONECT   11   10   88                                                 
CONECT   12   10   10   13   22                                       
CONECT   13   12   14   15   89                                       
CONECT   14   13   30                                                 
CONECT   15   13   16   90   91                                       
CONECT   16   15   17   18   21                                       
CONECT   17   16   92                                                 
CONECT   18   16   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   93   94   95                                       
CONECT   21   16   22   96   97                                       
CONECT   22   12   21   23   23                                       
CONECT   23   22   22   24   25                                       
CONECT   24   23   98                                                 
CONECT   25    9    9   23   26                                       
CONECT   26   25   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28    1    6    6   26                                       
CONECT   29    5   99  100  101                                       
CONECT   30   14   31   37  102                                       
CONECT   31   30   32  103  104                                       
CONECT   32   31   33   34  105                                       
CONECT   33   32   39  106  107                                       
CONECT   34   32   35   36  108                                       
CONECT   35   34  109                                                 
CONECT   36   34   37   38  110                                       
CONECT   37   30   36                                                 
CONECT   38   36  111  112  113                                       
CONECT   39   33   40  114  115                                       
CONECT   40   39   41   41   42                                       
CONECT   41   40   40   83  116                                       
CONECT   42   40   84   84  117                                       
CONECT   43   44   44   70  118                                       
CONECT   44   43   43   45  119                                       
CONECT   45   44   46   46  120                                       
CONECT   46   45   45   47   48                                       
CONECT   47   46   71                                                 
CONECT   48   46   49   70   70                                       
CONECT   49   48   50   50   51                                       
CONECT   50   49   49                                                 
CONECT   51   49   52   67   67                                       
CONECT   52   51   53   54   54                                       
CONECT   53   52  121                                                 
CONECT   54   52   52   55   64                                       
CONECT   55   54   56   57  122                                       
CONECT   56   55   72                                                 
CONECT   57   55   58  123  124                                       
CONECT   58   57   59   60   63                                       
CONECT   59   58  125                                                 
CONECT   60   58   61   61   62                                       
CONECT   61   60   60                                                 
CONECT   62   60  126  127  128                                       
CONECT   63   58   64  129  130                                       
CONECT   64   54   63   65   65                                       
CONECT   65   64   64   66   67                                       
CONECT   66   65  131                                                 
CONECT   67   51   51   65   68                                       
CONECT   68   67   69   69   70                                       
CONECT   69   68   68                                                 
CONECT   70   43   48   48   68                                       
CONECT   71   47  132  133  134                                       
CONECT   72   56   73   79  135                                       
CONECT   73   72   74  136  137                                       
CONECT   74   73   75   76  138                                       
CONECT   75   74   81  139  140                                       
CONECT   76   74   77   78  141                                       
CONECT   77   76  142                                                 
CONECT   78   76   79   80  143                                       
CONECT   79   72   78                                                 
CONECT   80   78  144  145  146                                       
CONECT   81   75   82  147  148                                       
CONECT   82   81   83   83   84                                       
CONECT   83   41   82   82  149                                       
CONECT   84   42   42   82  150                                       
CONECT   85    1                                                      
CONECT   86    2                                                      
CONECT   87    3                                                      
CONECT   88   11                                                      
CONECT   89   13                                                      
CONECT   90   15                                                      
CONECT   91   15                                                      
CONECT   92   17                                                      
CONECT   93   20                                                      
CONECT   94   20                                                      
CONECT   95   20                                                      
CONECT   96   21                                                      
CONECT   97   21                                                      
CONECT   98   24                                                      
CONECT   99   29                                                      
CONECT  100   29                                                      
CONECT  101   29                                                      
CONECT  102   30                                                      
CONECT  103   31                                                      
CONECT  104   31                                                      
CONECT  105   32                                                      
CONECT  106   33                                                      
CONECT  107   33                                                      
CONECT  108   34                                                      
CONECT  109   35                                                      
CONECT  110   36                                                      
CONECT  111   38                                                      
CONECT  112   38                                                      
CONECT  113   38                                                      
CONECT  114   39                                                      
CONECT  115   39                                                      
CONECT  116   41                                                      
CONECT  117   42                                                      
CONECT  118   43                                                      
CONECT  119   44                                                      
CONECT  120   45                                                      
CONECT  121   53                                                      
CONECT  122   55                                                      
CONECT  123   57                                                      
CONECT  124   57                                                      
CONECT  125   59                                                      
CONECT  126   62                                                      
CONECT  127   62                                                      
CONECT  128   62                                                      
CONECT  129   63                                                      
CONECT  130   63                                                      
CONECT  131   66                                                      
CONECT  132   71                                                      
CONECT  133   71                                                      
CONECT  134   71                                                      
CONECT  135   72                                                      
CONECT  136   73                                                      
CONECT  137   73                                                      
CONECT  138   74                                                      
CONECT  139   75                                                      
CONECT  140   75                                                      
CONECT  141   76                                                      
CONECT  142   77                                                      
CONECT  143   78                                                      
CONECT  144   80                                                      
CONECT  145   80                                                      
CONECT  146   80                                                      
CONECT  147   81                                                      
CONECT  148   81                                                      
CONECT  149   83                                                      
CONECT  150   84                                                      
MASTER        0    0    0    0    0    0    0    0  150    0  150    0
END
