COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.647   4.135   5.840  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.891   3.507   4.633  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.882   2.738   4.038  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.631   2.605   4.666  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.248   8.292  -2.068  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.369   9.356  -2.101  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.829  10.625  -1.931  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.008   9.131  -2.309  1.00  0.00           C  
HETATM    9  O   UNL     1      -2.145  10.179  -2.341  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.533   7.838  -2.483  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.404   6.770  -2.452  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.770   6.988  -2.238  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.701   5.851  -2.203  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.237   4.593  -2.368  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.135   3.497  -2.335  1.00  0.00           C  
HETATM   16  O   UNL     1      -7.323   3.688  -2.157  1.00  0.00           O  
HETATM   17  O   UNL     1      -5.671   2.240  -2.499  1.00  0.00           O  
HETATM   18  C   UNL     1      -6.632   1.183  -2.454  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.925  -0.158  -2.658  1.00  0.00           C  
HETATM   20  O   UNL     1      -5.042  -0.403  -1.562  1.00  0.00           O  
HETATM   21  C   UNL     1      -6.966  -1.278  -2.733  1.00  0.00           C  
HETATM   22  O   UNL     1      -7.815  -1.066  -3.863  1.00  0.00           O  
HETATM   23  C   UNL     1      -6.248  -2.623  -2.878  1.00  0.00           C  
HETATM   24  O   UNL     1      -7.209  -3.681  -2.874  1.00  0.00           O  
HETATM   25  C   UNL     1      -5.284  -2.804  -1.701  1.00  0.00           C  
HETATM   26  O   UNL     1      -4.555  -4.022  -1.863  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.113  -5.131  -1.156  1.00  0.00           C  
HETATM   28  O   UNL     1      -5.021  -4.894   0.251  1.00  0.00           O  
HETATM   29  C   UNL     1      -5.576  -5.936   1.056  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.448  -5.562   2.534  1.00  0.00           C  
HETATM   31  O   UNL     1      -6.259  -4.417   2.807  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.820  -7.240   0.792  1.00  0.00           C  
HETATM   33  O   UNL     1      -5.409  -8.296   1.554  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.902  -7.576  -0.700  1.00  0.00           C  
HETATM   35  O   UNL     1      -4.137  -8.753  -0.968  1.00  0.00           O  
HETATM   36  C   UNL     1      -4.338  -6.404  -1.508  1.00  0.00           C  
HETATM   37  O   UNL     1      -4.476  -6.675  -2.904  1.00  0.00           O  
HETATM   38  C   UNL     1      -4.307  -1.625  -1.666  1.00  0.00           C  
HETATM   39  O   UNL     1      -3.440  -1.757  -0.538  1.00  0.00           O  
HETATM   40  C   UNL     1      -2.412  -0.767  -0.476  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.125  -1.325  -1.089  1.00  0.00           C  
HETATM   42  O   UNL     1      -1.378  -1.744  -2.432  1.00  0.00           O  
HETATM   43  C   UNL     1      -0.653  -2.522  -0.257  1.00  0.00           C  
HETATM   44  O   UNL     1       0.586  -3.007  -0.777  1.00  0.00           O  
HETATM   45  C   UNL     1      -0.460  -2.079   1.195  1.00  0.00           C  
HETATM   46  C   UNL     1      -0.047  -3.283   2.045  1.00  0.00           C  
HETATM   47  O   UNL     1      -1.686  -1.542   1.695  1.00  0.00           O  
HETATM   48  C   UNL     1      -2.151  -0.392   0.985  1.00  0.00           C  
HETATM   49  O   UNL     1      -1.161   0.637   1.044  1.00  0.00           O  
HETATM   50  C   UNL     1      -1.023   1.295   2.227  1.00  0.00           C  
HETATM   51  C   UNL     1      -2.100   2.053   2.754  1.00  0.00           C  
HETATM   52  O   UNL     1      -3.167   2.133   2.166  1.00  0.00           O  
HETATM   53  O   UNL     1      -4.099   3.635   4.028  1.00  0.00           O  
HETATM   54  C   UNL     1      -1.408   4.002   6.458  1.00  0.00           C  
HETATM   55  O   UNL     1      -1.178   4.627   7.641  1.00  0.00           O  
HETATM   56  C   UNL     1      -0.405   3.243   5.876  1.00  0.00           C  
HETATM   57  O   UNL     1       0.335   1.861   4.088  1.00  0.00           O  
HETATM   58  C   UNL     1       0.151   1.229   2.916  1.00  0.00           C  
HETATM   59  C   UNL     1       1.261   0.437   2.354  1.00  0.00           C  
HETATM   60  C   UNL     1       1.631   0.601   1.017  1.00  0.00           C  
HETATM   61  C   UNL     1       2.672  -0.142   0.493  1.00  0.00           C  
HETATM   62  O   UNL     1       3.033   0.017  -0.809  1.00  0.00           O  
HETATM   63  C   UNL     1       1.948  -0.475   3.160  1.00  0.00           C  
HETATM   64  C   UNL     1       2.989  -1.215   2.630  1.00  0.00           C  
HETATM   65  O   UNL     1       3.658  -2.103   3.414  1.00  0.00           O  
HETATM   66  C   UNL     1       3.352  -1.053   1.296  1.00  0.00           C  
HETATM   67  O   UNL     1       4.376  -1.783   0.778  1.00  0.00           O  
HETATM   68  C   UNL     1       5.686  -1.219   0.870  1.00  0.00           C  
HETATM   69  C   UNL     1       6.713  -2.229   0.352  1.00  0.00           C  
HETATM   70  O   UNL     1       6.693  -3.396   1.176  1.00  0.00           O  
HETATM   71  C   UNL     1       8.107  -1.595   0.397  1.00  0.00           C  
HETATM   72  O   UNL     1       9.063  -2.504  -0.153  1.00  0.00           O  
HETATM   73  O   UNL     1       5.749  -0.030   0.080  1.00  0.00           O  
HETATM   74  C   UNL     1       7.015   0.632   0.121  1.00  0.00           C  
HETATM   75  C   UNL     1       8.096  -0.304  -0.426  1.00  0.00           C  
HETATM   76  O   UNL     1       9.371   0.334  -0.332  1.00  0.00           O  
HETATM   77  C   UNL     1       9.725   1.100  -1.486  1.00  0.00           C  
HETATM   78  O   UNL     1       9.879   0.228  -2.608  1.00  0.00           O  
HETATM   79  C   UNL     1      10.871  -0.784  -2.428  1.00  0.00           C  
HETATM   80  C   UNL     1      10.928  -1.670  -3.674  1.00  0.00           C  
HETATM   81  C   UNL     1      12.236  -0.126  -2.207  1.00  0.00           C  
HETATM   82  O   UNL     1      13.220  -1.134  -1.970  1.00  0.00           O  
HETATM   83  C   UNL     1      12.154   0.805  -0.994  1.00  0.00           C  
HETATM   84  O   UNL     1      13.402   1.480  -0.824  1.00  0.00           O  
HETATM   85  C   UNL     1      11.043   1.834  -1.227  1.00  0.00           C  
HETATM   86  O   UNL     1      11.370   2.642  -2.359  1.00  0.00           O  
HETATM   87  H   UNL     1      -3.418   4.733   6.302  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.302   8.466  -1.906  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.841  10.918  -1.009  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.774  10.409  -1.478  1.00  0.00           H  
HETATM   91  H   UNL     1      -1.479   7.668  -2.643  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.032   5.766  -2.588  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.755   6.022  -2.046  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.182   4.423  -2.526  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.131   1.187  -1.485  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.370   1.329  -3.243  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.354  -0.130  -3.586  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.564  -1.281  -1.822  1.00  0.00           H  
HETATM   99  H   UNL     1      -8.302  -0.231  -3.838  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.689  -2.640  -3.813  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.857  -3.626  -3.590  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.848  -2.838  -0.769  1.00  0.00           H  
HETATM  103  H   UNL     1      -6.159  -5.253  -1.436  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.628  -6.068   0.804  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.780  -6.397   3.150  1.00  0.00           H  
HETATM  106  H   UNL     1      -4.407  -5.333   2.762  1.00  0.00           H  
HETATM  107  H   UNL     1      -6.286  -4.169   3.742  1.00  0.00           H  
HETATM  108  H   UNL     1      -3.776  -7.121   1.082  1.00  0.00           H  
HETATM  109  H   UNL     1      -4.979  -9.154   1.435  1.00  0.00           H  
HETATM  110  H   UNL     1      -5.942  -7.746  -0.979  1.00  0.00           H  
HETATM  111  H   UNL     1      -4.145  -9.025  -1.896  1.00  0.00           H  
HETATM  112  H   UNL     1      -3.284  -6.268  -1.265  1.00  0.00           H  
HETATM  113  H   UNL     1      -4.142  -5.971  -3.477  1.00  0.00           H  
HETATM  114  H   UNL     1      -3.715  -1.616  -2.581  1.00  0.00           H  
HETATM  115  H   UNL     1      -2.726   0.118  -1.030  1.00  0.00           H  
HETATM  116  H   UNL     1      -0.355  -0.554  -1.087  1.00  0.00           H  
HETATM  117  H   UNL     1      -0.604  -2.110  -2.882  1.00  0.00           H  
HETATM  118  H   UNL     1      -1.402  -3.313  -0.301  1.00  0.00           H  
HETATM  119  H   UNL     1       0.901  -3.817  -0.353  1.00  0.00           H  
HETATM  120  H   UNL     1       0.317  -1.317   1.243  1.00  0.00           H  
HETATM  121  H   UNL     1       0.934  -3.633   1.726  1.00  0.00           H  
HETATM  122  H   UNL     1      -0.004  -2.990   3.094  1.00  0.00           H  
HETATM  123  H   UNL     1      -0.777  -4.083   1.921  1.00  0.00           H  
HETATM  124  H   UNL     1      -3.075  -0.033   1.439  1.00  0.00           H  
HETATM  125  H   UNL     1      -4.158   4.386   3.422  1.00  0.00           H  
HETATM  126  H   UNL     1      -1.403   4.097   8.417  1.00  0.00           H  
HETATM  127  H   UNL     1       0.553   3.148   6.366  1.00  0.00           H  
HETATM  128  H   UNL     1       1.103   1.308   0.393  1.00  0.00           H  
HETATM  129  H   UNL     1       3.646   0.749  -0.961  1.00  0.00           H  
HETATM  130  H   UNL     1       1.668  -0.600   4.195  1.00  0.00           H  
HETATM  131  H   UNL     1       3.283  -2.994   3.408  1.00  0.00           H  
HETATM  132  H   UNL     1       5.905  -0.977   1.909  1.00  0.00           H  
HETATM  133  H   UNL     1       6.470  -2.503  -0.674  1.00  0.00           H  
HETATM  134  H   UNL     1       5.837  -3.846   1.198  1.00  0.00           H  
HETATM  135  H   UNL     1       8.372  -1.369   1.430  1.00  0.00           H  
HETATM  136  H   UNL     1       9.119  -3.348   0.316  1.00  0.00           H  
HETATM  137  H   UNL     1       6.973   1.535  -0.487  1.00  0.00           H  
HETATM  138  H   UNL     1       7.252   0.898   1.151  1.00  0.00           H  
HETATM  139  H   UNL     1       7.881  -0.538  -1.469  1.00  0.00           H  
HETATM  140  H   UNL     1       8.939   1.826  -1.695  1.00  0.00           H  
HETATM  141  H   UNL     1      10.617  -1.393  -1.561  1.00  0.00           H  
HETATM  142  H   UNL     1      11.183  -1.061  -4.542  1.00  0.00           H  
HETATM  143  H   UNL     1      11.685  -2.442  -3.537  1.00  0.00           H  
HETATM  144  H   UNL     1       9.956  -2.138  -3.832  1.00  0.00           H  
HETATM  145  H   UNL     1      12.509   0.451  -3.091  1.00  0.00           H  
HETATM  146  H   UNL     1      13.321  -1.763  -2.697  1.00  0.00           H  
HETATM  147  H   UNL     1      11.930   0.222  -0.101  1.00  0.00           H  
HETATM  148  H   UNL     1      13.422   2.088  -0.072  1.00  0.00           H  
HETATM  149  H   UNL     1      10.941   2.466  -0.345  1.00  0.00           H  
HETATM  150  H   UNL     1      10.706   3.313  -2.569  1.00  0.00           H  
CONECT    1    2   54   54   87                                       
CONECT    2   53    3    3    1                                       
CONECT    3   51    2    2    4                                       
CONECT    4    3   57   56   56                                       
CONECT    5   12   12    6   88                                       
CONECT    6    5    7    8    8                                       
CONECT    7    6   89                                                 
CONECT    8    6    6   10    9                                       
CONECT    9    8   90                                                 
CONECT   10   11   11    8   91                                       
CONECT   11   12   10   10   92                                       
CONECT   12   13    5    5   11                                       
CONECT   13   14   14   12   93                                       
CONECT   14   15   13   13   94                                       
CONECT   15   16   16   17   14                                       
CONECT   16   15   15                                                 
CONECT   17   18   15                                                 
CONECT   18   19   17   95   96                                       
CONECT   19   21   18   20   97                                       
CONECT   20   19   38                                                 
CONECT   21   22   23   19   98                                       
CONECT   22   21   99                                                 
CONECT   23   24   21   25  100                                       
CONECT   24   23  101                                                 
CONECT   25   23   26   38  102                                       
CONECT   26   27   25                                                 
CONECT   27   28   36   26  103                                       
CONECT   28   29   27                                                 
CONECT   29   30   32   28  104                                       
CONECT   30   31   29  105  106                                       
CONECT   31   30  107                                                 
CONECT   32   33   29   34  108                                       
CONECT   33   32  109                                                 
CONECT   34   32   35   36  110                                       
CONECT   35   34  111                                                 
CONECT   36   34   27   37  112                                       
CONECT   37   36  113                                                 
CONECT   38   25   20   39  114                                       
CONECT   39   38   40                                                 
CONECT   40   39   41   48  115                                       
CONECT   41   43   40   42  116                                       
CONECT   42   41  117                                                 
CONECT   43   45   41   44  118                                       
CONECT   44   43  119                                                 
CONECT   45   46   43   47  120                                       
CONECT   46   45  121  122  123                                       
CONECT   47   45   48                                                 
CONECT   48   40   47   49  124                                       
CONECT   49   48   50                                                 
CONECT   50   49   51   58   58                                       
CONECT   51   52   52   50    3                                       
CONECT   52   51   51                                                 
CONECT   53    2  125                                                 
CONECT   54    1    1   56   55                                       
CONECT   55   54  126                                                 
CONECT   56    4    4   54  127                                       
CONECT   57   58    4                                                 
CONECT   58   50   50   59   57                                       
CONECT   59   60   58   63   63                                       
CONECT   60   61   61   59  128                                       
CONECT   61   62   60   60   66                                       
CONECT   62   61  129                                                 
CONECT   63   59   59   64  130                                       
CONECT   64   66   66   63   65                                       
CONECT   65   64  131                                                 
CONECT   66   61   67   64   64                                       
CONECT   67   68   66                                                 
CONECT   68   73   67   69  132                                       
CONECT   69   68   71   70  133                                       
CONECT   70   69  134                                                 
CONECT   71   75   72   69  135                                       
CONECT   72   71  136                                                 
CONECT   73   74   68                                                 
CONECT   74   73   75  137  138                                       
CONECT   75   74   76   71  139                                       
CONECT   76   77   75                                                 
CONECT   77   78   85   76  140                                       
CONECT   78   77   79                                                 
CONECT   79   80   78   81  141                                       
CONECT   80   79  142  143  144                                       
CONECT   81   79   83   82  145                                       
CONECT   82   81  146                                                 
CONECT   83   85   81   84  147                                       
CONECT   84   83  148                                                 
CONECT   85   86   77   83  149                                       
CONECT   86   85  150                                                 
CONECT   87    1                                                      
CONECT   88    5                                                      
CONECT   89    7                                                      
CONECT   90    9                                                      
CONECT   91   10                                                      
CONECT   92   11                                                      
CONECT   93   13                                                      
CONECT   94   14                                                      
CONECT   95   18                                                      
CONECT   96   18                                                      
CONECT   97   19                                                      
CONECT   98   21                                                      
CONECT   99   22                                                      
CONECT  100   23                                                      
CONECT  101   24                                                      
CONECT  102   25                                                      
CONECT  103   27                                                      
CONECT  104   29                                                      
CONECT  105   30                                                      
CONECT  106   30                                                      
CONECT  107   31                                                      
CONECT  108   32                                                      
CONECT  109   33                                                      
CONECT  110   34                                                      
CONECT  111   35                                                      
CONECT  112   36                                                      
CONECT  113   37                                                      
CONECT  114   38                                                      
CONECT  115   40                                                      
CONECT  116   41                                                      
CONECT  117   42                                                      
CONECT  118   43                                                      
CONECT  119   44                                                      
CONECT  120   45                                                      
CONECT  121   46                                                      
CONECT  122   46                                                      
CONECT  123   46                                                      
CONECT  124   48                                                      
CONECT  125   53                                                      
CONECT  126   55                                                      
CONECT  127   56                                                      
CONECT  128   60                                                      
CONECT  129   62                                                      
CONECT  130   63                                                      
CONECT  131   65                                                      
CONECT  132   68                                                      
CONECT  133   69                                                      
CONECT  134   70                                                      
CONECT  135   71                                                      
CONECT  136   72                                                      
CONECT  137   74                                                      
CONECT  138   74                                                      
CONECT  139   75                                                      
CONECT  140   77                                                      
CONECT  141   79                                                      
CONECT  142   80                                                      
CONECT  143   80                                                      
CONECT  144   80                                                      
CONECT  145   81                                                      
CONECT  146   82                                                      
CONECT  147   83                                                      
CONECT  148   84                                                      
CONECT  149   85                                                      
CONECT  150   86                                                      
MASTER        0    0    0    0    0    0    0    0  150    0  150    0
END
