COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.194  -2.695   2.395  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.099  -2.560   0.969  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.245  -2.639  -0.272  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.405  -1.894  -1.647  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.182  -0.431  -1.936  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.977  -0.034  -3.153  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.841   1.852  -1.865  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.528   4.195  -1.898  1.00  0.00           C  
HETATM    9  C   UNL     1     -11.588   4.793   0.241  1.00  0.00           C  
HETATM   10  C   UNL     1       3.649  -5.207  -0.938  1.00  0.00           C  
HETATM   11  C   UNL     1       4.700  -4.305  -1.589  1.00  0.00           C  
HETATM   12  C   UNL     1       5.295  -6.170  -2.974  1.00  0.00           C  
HETATM   13  C   UNL     1       6.760  -4.278  -2.817  1.00  0.00           C  
HETATM   14  C   UNL     1       6.501  -5.752  -0.943  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.507  -4.027   2.088  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.823  -2.074  -0.260  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.979  -2.145  -1.520  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.380  -2.701  -1.531  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.809   0.977  -3.091  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.655   3.292  -2.270  1.00  0.00           C  
HETATM   21  C   UNL     1     -11.616   3.833  -0.920  1.00  0.00           C  
HETATM   22  C   UNL     1     -12.686   5.404   0.613  1.00  0.00           C  
HETATM   23  C   UNL     1     -14.008   5.014   0.004  1.00  0.00           C  
HETATM   24  C   UNL     1     -15.021   4.738   1.118  1.00  0.00           C  
HETATM   25  C   UNL     1     -16.363   4.342   0.500  1.00  0.00           C  
HETATM   26  C   UNL     1     -17.376   4.067   1.613  1.00  0.00           C  
HETATM   27  C   UNL     1     -18.718   3.671   0.995  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.154  -1.686   2.886  1.00  0.00           C  
HETATM   29  C   UNL     1       1.955  -0.793   2.227  1.00  0.00           C  
HETATM   30  C   UNL     1       3.147  -0.715   1.309  1.00  0.00           C  
HETATM   31  C   UNL     1       4.133   0.328   1.840  1.00  0.00           C  
HETATM   32  C   UNL     1       5.343   0.407   0.908  1.00  0.00           C  
HETATM   33  C   UNL     1       6.328   1.450   1.439  1.00  0.00           C  
HETATM   34  C   UNL     1       7.539   1.529   0.507  1.00  0.00           C  
HETATM   35  C   UNL     1       8.524   2.573   1.038  1.00  0.00           C  
HETATM   36  C   UNL     1       9.735   2.651   0.106  1.00  0.00           C  
HETATM   37  C   UNL     1      10.720   3.695   0.637  1.00  0.00           C  
HETATM   38  C   UNL     1      11.931   3.774  -0.295  1.00  0.00           C  
HETATM   39  C   UNL     1      12.916   4.817   0.236  1.00  0.00           C  
HETATM   40  C   UNL     1      14.127   4.896  -0.696  1.00  0.00           C  
HETATM   41  C   UNL     1      15.112   5.939  -0.164  1.00  0.00           C  
HETATM   42  C   UNL     1      16.323   6.018  -1.097  1.00  0.00           C  
HETATM   43  C   UNL     1      17.308   7.061  -0.566  1.00  0.00           C  
HETATM   44  C   UNL     1      18.519   7.140  -1.497  1.00  0.00           C  
HETATM   45  N   UNL     1       5.814  -5.126  -2.081  1.00  0.00           N1+
HETATM   46  O   UNL     1       2.625  -4.400  -0.354  1.00  0.00           O  
HETATM   47  O   UNL     1       1.968  -5.854   1.602  1.00  0.00           O  
HETATM   48  O   UNL     1       0.473  -5.908  -0.430  1.00  0.00           O  
HETATM   49  O   UNL     1       0.553  -3.812   1.155  1.00  0.00           O  
HETATM   50  O   UNL     1      -1.829  -2.189   1.191  1.00  0.00           O  
HETATM   51  O   UNL     1      -3.663  -3.284   1.755  1.00  0.00           O  
HETATM   52  O   UNL     1       0.908  -1.568   1.903  1.00  0.00           O  
HETATM   53  O   UNL     1       1.941  -0.157   3.255  1.00  0.00           O  
HETATM   54  P   UNL     1       1.417  -5.012   0.517  1.00  0.00           P  
HETATM   55  H   UNL     1      -1.949  -2.844   3.167  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.203  -3.728  -0.281  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.776  -2.303   0.619  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.409  -2.276  -1.535  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.507   0.161  -1.081  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.123  -0.254  -2.120  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.861  -0.581  -4.077  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.801   1.737  -1.362  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.039   1.558  -1.188  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.467   5.198  -2.292  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.663   4.979   0.766  1.00  0.00           H  
HETATM   66  H   UNL     1       3.211  -5.858  -1.695  1.00  0.00           H  
HETATM   67  H   UNL     1       4.120  -5.813  -0.165  1.00  0.00           H  
HETATM   68  H   UNL     1       4.250  -3.765  -2.422  1.00  0.00           H  
HETATM   69  H   UNL     1       5.072  -3.591  -0.853  1.00  0.00           H  
HETATM   70  H   UNL     1       6.121  -6.780  -3.340  1.00  0.00           H  
HETATM   71  H   UNL     1       4.593  -6.800  -2.428  1.00  0.00           H  
HETATM   72  H   UNL     1       4.785  -5.706  -3.819  1.00  0.00           H  
HETATM   73  H   UNL     1       6.251  -3.813  -3.661  1.00  0.00           H  
HETATM   74  H   UNL     1       7.146  -3.503  -2.154  1.00  0.00           H  
HETATM   75  H   UNL     1       7.587  -4.887  -3.182  1.00  0.00           H  
HETATM   76  H   UNL     1       7.300  -6.395  -1.311  1.00  0.00           H  
HETATM   77  H   UNL     1       6.923  -4.978  -0.302  1.00  0.00           H  
HETATM   78  H   UNL     1       5.789  -6.348  -0.372  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.102  -4.447   3.009  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.232  -4.720   1.661  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.865  -0.985  -0.250  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.292  -2.409  -1.151  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.021  -1.056  -1.510  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.448  -2.481  -2.410  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.539  -3.766  -1.444  1.00  0.00           H  
HETATM   86  H   UNL     1     -10.471   1.183  -3.919  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.802   3.579  -2.866  1.00  0.00           H  
HETATM   88  H   UNL     1     -12.585   3.891  -1.416  1.00  0.00           H  
HETATM   89  H   UNL     1     -11.455   2.818  -0.556  1.00  0.00           H  
HETATM   90  H   UNL     1     -12.643   6.186   1.356  1.00  0.00           H  
HETATM   91  H   UNL     1     -14.372   5.825  -0.625  1.00  0.00           H  
HETATM   92  H   UNL     1     -13.879   4.115  -0.600  1.00  0.00           H  
HETATM   93  H   UNL     1     -14.657   3.926   1.747  1.00  0.00           H  
HETATM   94  H   UNL     1     -15.150   5.637   1.722  1.00  0.00           H  
HETATM   95  H   UNL     1     -16.727   5.154  -0.130  1.00  0.00           H  
HETATM   96  H   UNL     1     -16.234   3.444  -0.104  1.00  0.00           H  
HETATM   97  H   UNL     1     -17.012   3.255   2.243  1.00  0.00           H  
HETATM   98  H   UNL     1     -17.505   4.965   2.217  1.00  0.00           H  
HETATM   99  H   UNL     1     -18.589   2.773   0.391  1.00  0.00           H  
HETATM  100  H   UNL     1     -19.440   3.475   1.788  1.00  0.00           H  
HETATM  101  H   UNL     1     -19.082   4.483   0.366  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.629  -0.714   3.026  1.00  0.00           H  
HETATM  103  H   UNL     1       0.263  -2.026   3.833  1.00  0.00           H  
HETATM  104  H   UNL     1       3.637  -1.688   1.266  1.00  0.00           H  
HETATM  105  H   UNL     1       2.819  -0.429   0.310  1.00  0.00           H  
HETATM  106  H   UNL     1       3.643   1.301   1.883  1.00  0.00           H  
HETATM  107  H   UNL     1       4.461   0.042   2.839  1.00  0.00           H  
HETATM  108  H   UNL     1       5.833  -0.566   0.865  1.00  0.00           H  
HETATM  109  H   UNL     1       5.015   0.693  -0.091  1.00  0.00           H  
HETATM  110  H   UNL     1       5.839   2.423   1.482  1.00  0.00           H  
HETATM  111  H   UNL     1       6.657   1.164   2.438  1.00  0.00           H  
HETATM  112  H   UNL     1       8.029   0.556   0.464  1.00  0.00           H  
HETATM  113  H   UNL     1       7.211   1.815  -0.492  1.00  0.00           H  
HETATM  114  H   UNL     1       8.035   3.546   1.081  1.00  0.00           H  
HETATM  115  H   UNL     1       8.853   2.287   2.037  1.00  0.00           H  
HETATM  116  H   UNL     1      10.225   1.679   0.063  1.00  0.00           H  
HETATM  117  H   UNL     1       9.407   2.938  -0.893  1.00  0.00           H  
HETATM  118  H   UNL     1      10.231   4.668   0.680  1.00  0.00           H  
HETATM  119  H   UNL     1      11.049   3.409   1.637  1.00  0.00           H  
HETATM  120  H   UNL     1      12.421   2.801  -0.338  1.00  0.00           H  
HETATM  121  H   UNL     1      11.603   4.060  -1.294  1.00  0.00           H  
HETATM  122  H   UNL     1      12.427   5.790   0.280  1.00  0.00           H  
HETATM  123  H   UNL     1      13.245   4.531   1.236  1.00  0.00           H  
HETATM  124  H   UNL     1      14.617   3.923  -0.739  1.00  0.00           H  
HETATM  125  H   UNL     1      13.799   5.182  -1.695  1.00  0.00           H  
HETATM  126  H   UNL     1      14.623   6.912  -0.122  1.00  0.00           H  
HETATM  127  H   UNL     1      15.441   5.653   0.835  1.00  0.00           H  
HETATM  128  H   UNL     1      16.813   5.045  -1.140  1.00  0.00           H  
HETATM  129  H   UNL     1      15.995   6.304  -2.096  1.00  0.00           H  
HETATM  130  H   UNL     1      16.819   8.035  -0.522  1.00  0.00           H  
HETATM  131  H   UNL     1      17.637   6.775   0.434  1.00  0.00           H  
HETATM  132  H   UNL     1      18.191   7.426  -2.497  1.00  0.00           H  
HETATM  133  H   UNL     1      19.221   7.884  -1.119  1.00  0.00           H  
HETATM  134  H   UNL     1      19.008   6.167  -1.541  1.00  0.00           H  
HETATM  135  H   UNL     1       0.076  -5.420  -1.165  1.00  0.00           H  
CONECT    1   50   15   28   55                                       
CONECT    2   16   51   51   50                                       
CONECT    3   17   16   56   57                                       
CONECT    4   18   18    5   58                                       
CONECT    5    4    6   59   60                                       
CONECT    6    5   19   19   61                                       
CONECT    7   19   20   62   63                                       
CONECT    8   20   20   21   64                                       
CONECT    9   21   22   22   65                                       
CONECT   10   11   46   66   67                                       
CONECT   11   45   10   68   69                                       
CONECT   12   45   70   71   72                                       
CONECT   13   45   73   74   75                                       
CONECT   14   45   76   77   78                                       
CONECT   15    1   49   79   80                                       
CONECT   16    3    2   81   82                                       
CONECT   17    3   18   83   84                                       
CONECT   18    4    4   17   85                                       
CONECT   19    6    6    7   86                                       
CONECT   20    7    8    8   87                                       
CONECT   21    8    9   88   89                                       
CONECT   22    9    9   23   90                                       
CONECT   23   22   24   91   92                                       
CONECT   24   23   25   93   94                                       
CONECT   25   24   26   95   96                                       
CONECT   26   27   25   97   98                                       
CONECT   27   26   99  100  101                                       
CONECT   28    1   52  102  103                                       
CONECT   29   53   53   30   52                                       
CONECT   30   31   29  104  105                                       
CONECT   31   32   30  106  107                                       
CONECT   32   33   31  108  109                                       
CONECT   33   34   32  110  111                                       
CONECT   34   35   33  112  113                                       
CONECT   35   36   34  114  115                                       
CONECT   36   37   35  116  117                                       
CONECT   37   38   36  118  119                                       
CONECT   38   39   37  120  121                                       
CONECT   39   40   38  122  123                                       
CONECT   40   39   41  124  125                                       
CONECT   41   40   42  126  127                                       
CONECT   42   41   43  128  129                                       
CONECT   43   42   44  130  131                                       
CONECT   44   43  132  133  134                                       
CONECT   45   13   12   14   11                                       
CONECT   46   10   54                                                 
CONECT   47   54   54                                                 
CONECT   48   54  135                                                 
CONECT   49   15   54                                                 
CONECT   50    2    1                                                 
CONECT   51    2    2                                                 
CONECT   52   29   28                                                 
CONECT   53   29   29                                                 
CONECT   54   46   49   47   47                                       
CONECT   54   48                                                      
CONECT   55    1                                                      
CONECT   56    3                                                      
CONECT   57    3                                                      
CONECT   58    4                                                      
CONECT   59    5                                                      
CONECT   60    5                                                      
CONECT   61    6                                                      
CONECT   62    7                                                      
CONECT   63    7                                                      
CONECT   64    8                                                      
CONECT   65    9                                                      
CONECT   66   10                                                      
CONECT   67   10                                                      
CONECT   68   11                                                      
CONECT   69   11                                                      
CONECT   70   12                                                      
CONECT   71   12                                                      
CONECT   72   12                                                      
CONECT   73   13                                                      
CONECT   74   13                                                      
CONECT   75   13                                                      
CONECT   76   14                                                      
CONECT   77   14                                                      
CONECT   78   14                                                      
CONECT   79   15                                                      
CONECT   80   15                                                      
CONECT   81   16                                                      
CONECT   82   16                                                      
CONECT   83   17                                                      
CONECT   84   17                                                      
CONECT   85   18                                                      
CONECT   86   19                                                      
CONECT   87   20                                                      
CONECT   88   21                                                      
CONECT   89   21                                                      
CONECT   90   22                                                      
CONECT   91   23                                                      
CONECT   92   23                                                      
CONECT   93   24                                                      
CONECT   94   24                                                      
CONECT   95   25                                                      
CONECT   96   25                                                      
CONECT   97   26                                                      
CONECT   98   26                                                      
CONECT   99   27                                                      
CONECT  100   27                                                      
CONECT  101   27                                                      
CONECT  102   28                                                      
CONECT  103   28                                                      
CONECT  104   30                                                      
CONECT  105   30                                                      
CONECT  106   31                                                      
CONECT  107   31                                                      
CONECT  108   32                                                      
CONECT  109   32                                                      
CONECT  110   33                                                      
CONECT  111   33                                                      
CONECT  112   34                                                      
CONECT  113   34                                                      
CONECT  114   35                                                      
CONECT  115   35                                                      
CONECT  116   36                                                      
CONECT  117   36                                                      
CONECT  118   37                                                      
CONECT  119   37                                                      
CONECT  120   38                                                      
CONECT  121   38                                                      
CONECT  122   39                                                      
CONECT  123   39                                                      
CONECT  124   40                                                      
CONECT  125   40                                                      
CONECT  126   41                                                      
CONECT  127   41                                                      
CONECT  128   42                                                      
CONECT  129   42                                                      
CONECT  130   43                                                      
CONECT  131   43                                                      
CONECT  132   44                                                      
CONECT  133   44                                                      
CONECT  134   44                                                      
CONECT  135   48                                                      
MASTER        0    0    0    0    0    0    0    0  135    0  135    0
END
