COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.532  -4.697   0.784  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.206  -4.035   1.988  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.137  -3.483   2.932  1.00  0.00           C  
HETATM    4  C   UNL     1       2.770  -4.336  -2.787  1.00  0.00           C  
HETATM    5  C   UNL     1       3.841  -3.484  -3.471  1.00  0.00           C  
HETATM    6  C   UNL     1       5.556  -4.497  -2.134  1.00  0.00           C  
HETATM    7  C   UNL     1       5.943  -2.369  -3.170  1.00  0.00           C  
HETATM    8  C   UNL     1       4.408  -2.548  -1.336  1.00  0.00           C  
HETATM    9  C   UNL     1       1.762  -1.985   2.827  1.00  0.00           C  
HETATM   10  C   UNL     1       2.674  -1.058   2.065  1.00  0.00           C  
HETATM   11  C   UNL     1       3.744  -0.506   3.009  1.00  0.00           C  
HETATM   12  C   UNL     1       4.670   0.435   2.236  1.00  0.00           C  
HETATM   13  C   UNL     1       5.740   0.987   3.180  1.00  0.00           C  
HETATM   14  C   UNL     1       6.666   1.928   2.406  1.00  0.00           C  
HETATM   15  C   UNL     1       7.736   2.481   3.351  1.00  0.00           C  
HETATM   16  C   UNL     1       8.662   3.421   2.577  1.00  0.00           C  
HETATM   17  C   UNL     1       9.716   3.966   3.507  1.00  0.00           C  
HETATM   18  C   UNL     1      10.983   3.856   3.196  1.00  0.00           C  
HETATM   19  C   UNL     1      11.384   3.348   1.835  1.00  0.00           C  
HETATM   20  C   UNL     1      12.362   4.333   1.191  1.00  0.00           C  
HETATM   21  C   UNL     1      12.769   3.818  -0.191  1.00  0.00           C  
HETATM   22  C   UNL     1      13.746   4.803  -0.836  1.00  0.00           C  
HETATM   23  C   UNL     1      14.153   4.287  -2.217  1.00  0.00           C  
HETATM   24  C   UNL     1      15.131   5.272  -2.862  1.00  0.00           C  
HETATM   25  C   UNL     1      15.538   4.756  -4.243  1.00  0.00           C  
HETATM   26  C   UNL     1      16.515   5.741  -4.888  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.341  -3.187   1.224  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.222  -2.061   0.750  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.629  -2.596   0.472  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.524  -1.452  -0.010  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.930  -1.987  -0.288  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.825  -0.844  -0.770  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.231  -1.379  -1.048  1.00  0.00           C  
HETATM   34  C   UNL     1     -11.126  -0.236  -1.530  1.00  0.00           C  
HETATM   35  C   UNL     1     -12.511  -0.763  -1.804  1.00  0.00           C  
HETATM   36  C   UNL     1     -13.550  -0.193  -1.246  1.00  0.00           C  
HETATM   37  C   UNL     1     -13.383   1.092  -0.477  1.00  0.00           C  
HETATM   38  C   UNL     1     -14.361   2.139  -1.014  1.00  0.00           C  
HETATM   39  C   UNL     1     -14.191   3.443  -0.233  1.00  0.00           C  
HETATM   40  C   UNL     1     -15.169   4.490  -0.771  1.00  0.00           C  
HETATM   41  C   UNL     1     -14.999   5.795   0.010  1.00  0.00           C  
HETATM   42  C   UNL     1     -15.977   6.842  -0.527  1.00  0.00           C  
HETATM   43  C   UNL     1     -15.807   8.147   0.254  1.00  0.00           C  
HETATM   44  C   UNL     1     -16.785   9.194  -0.284  1.00  0.00           C  
HETATM   45  N   UNL     1       4.937  -3.224  -2.528  1.00  0.00           N1+
HETATM   46  O   UNL     1      -2.056  -2.950   1.530  1.00  0.00           O  
HETATM   47  O   UNL     1       0.742  -2.590   2.198  1.00  0.00           O  
HETATM   48  O   UNL     1       1.948  -2.183   4.004  1.00  0.00           O  
HETATM   49  O   UNL     1      -3.791  -4.303   1.330  1.00  0.00           O  
HETATM   50  O   UNL     1      -0.112  -4.876  -2.176  1.00  0.00           O  
HETATM   51  O   UNL     1       1.665  -5.771  -0.623  1.00  0.00           O  
HETATM   52  O   UNL     1       0.352  -3.763   0.160  1.00  0.00           O  
HETATM   53  O   UNL     1       2.131  -3.568  -1.765  1.00  0.00           O  
HETATM   54  P   UNL     1       1.023  -4.522  -1.091  1.00  0.00           P  
HETATM   55  H   UNL     1       0.035  -5.566   1.118  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.292  -5.012   0.069  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.811  -4.772   2.516  1.00  0.00           H  
HETATM   58  H   UNL     1       0.445  -4.307   3.344  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.616  -2.934   3.743  1.00  0.00           H  
HETATM   60  H   UNL     1       3.235  -5.216  -2.343  1.00  0.00           H  
HETATM   61  H   UNL     1       2.030  -4.649  -3.523  1.00  0.00           H  
HETATM   62  H   UNL     1       4.228  -4.015  -4.340  1.00  0.00           H  
HETATM   63  H   UNL     1       3.403  -2.537  -3.789  1.00  0.00           H  
HETATM   64  H   UNL     1       5.948  -4.999  -3.018  1.00  0.00           H  
HETATM   65  H   UNL     1       6.369  -4.305  -1.434  1.00  0.00           H  
HETATM   66  H   UNL     1       4.809  -5.132  -1.658  1.00  0.00           H  
HETATM   67  H   UNL     1       5.484  -1.424  -3.463  1.00  0.00           H  
HETATM   68  H   UNL     1       6.757  -2.176  -2.470  1.00  0.00           H  
HETATM   69  H   UNL     1       6.336  -2.871  -4.055  1.00  0.00           H  
HETATM   70  H   UNL     1       3.800  -3.247  -0.762  1.00  0.00           H  
HETATM   71  H   UNL     1       5.235  -2.195  -0.721  1.00  0.00           H  
HETATM   72  H   UNL     1       3.795  -1.700  -1.642  1.00  0.00           H  
HETATM   73  H   UNL     1       2.093  -0.234   1.653  1.00  0.00           H  
HETATM   74  H   UNL     1       3.154  -1.607   1.254  1.00  0.00           H  
HETATM   75  H   UNL     1       4.325  -1.330   3.422  1.00  0.00           H  
HETATM   76  H   UNL     1       3.264   0.042   3.820  1.00  0.00           H  
HETATM   77  H   UNL     1       4.089   1.259   1.823  1.00  0.00           H  
HETATM   78  H   UNL     1       5.150  -0.113   1.425  1.00  0.00           H  
HETATM   79  H   UNL     1       6.321   0.163   3.593  1.00  0.00           H  
HETATM   80  H   UNL     1       5.260   1.536   3.991  1.00  0.00           H  
HETATM   81  H   UNL     1       6.085   2.752   1.994  1.00  0.00           H  
HETATM   82  H   UNL     1       7.145   1.380   1.595  1.00  0.00           H  
HETATM   83  H   UNL     1       8.317   1.656   3.763  1.00  0.00           H  
HETATM   84  H   UNL     1       7.256   3.029   4.162  1.00  0.00           H  
HETATM   85  H   UNL     1       8.081   4.246   2.164  1.00  0.00           H  
HETATM   86  H   UNL     1       9.141   2.873   1.766  1.00  0.00           H  
HETATM   87  H   UNL     1       9.425   4.446   4.430  1.00  0.00           H  
HETATM   88  H   UNL     1      11.741   4.130   3.915  1.00  0.00           H  
HETATM   89  H   UNL     1      10.498   3.252   1.208  1.00  0.00           H  
HETATM   90  H   UNL     1      11.864   2.375   1.938  1.00  0.00           H  
HETATM   91  H   UNL     1      13.248   4.429   1.818  1.00  0.00           H  
HETATM   92  H   UNL     1      11.882   5.307   1.088  1.00  0.00           H  
HETATM   93  H   UNL     1      11.883   3.722  -0.819  1.00  0.00           H  
HETATM   94  H   UNL     1      13.249   2.844  -0.089  1.00  0.00           H  
HETATM   95  H   UNL     1      14.632   4.898  -0.208  1.00  0.00           H  
HETATM   96  H   UNL     1      13.266   5.776  -0.938  1.00  0.00           H  
HETATM   97  H   UNL     1      13.267   4.191  -2.845  1.00  0.00           H  
HETATM   98  H   UNL     1      14.633   3.313  -2.115  1.00  0.00           H  
HETATM   99  H   UNL     1      16.017   5.368  -2.234  1.00  0.00           H  
HETATM  100  H   UNL     1      14.651   6.245  -2.964  1.00  0.00           H  
HETATM  101  H   UNL     1      14.652   4.660  -4.871  1.00  0.00           H  
HETATM  102  H   UNL     1      16.018   3.783  -4.141  1.00  0.00           H  
HETATM  103  H   UNL     1      16.805   5.374  -5.872  1.00  0.00           H  
HETATM  104  H   UNL     1      16.035   6.714  -4.990  1.00  0.00           H  
HETATM  105  H   UNL     1      17.401   5.837  -4.260  1.00  0.00           H  
HETATM  106  H   UNL     1      -4.273  -1.290   1.518  1.00  0.00           H  
HETATM  107  H   UNL     1      -3.808  -1.636  -0.165  1.00  0.00           H  
HETATM  108  H   UNL     1      -5.579  -3.367  -0.297  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.043  -3.021   1.386  1.00  0.00           H  
HETATM  110  H   UNL     1      -6.574  -0.681   0.759  1.00  0.00           H  
HETATM  111  H   UNL     1      -6.109  -1.027  -0.925  1.00  0.00           H  
HETATM  112  H   UNL     1      -7.880  -2.759  -1.057  1.00  0.00           H  
HETATM  113  H   UNL     1      -8.344  -2.412   0.626  1.00  0.00           H  
HETATM  114  H   UNL     1      -8.875  -0.073  -0.001  1.00  0.00           H  
HETATM  115  H   UNL     1      -8.410  -0.419  -1.684  1.00  0.00           H  
HETATM  116  H   UNL     1     -10.181  -2.150  -1.817  1.00  0.00           H  
HETATM  117  H   UNL     1     -10.645  -1.804  -0.134  1.00  0.00           H  
HETATM  118  H   UNL     1     -11.176   0.535  -0.761  1.00  0.00           H  
HETATM  119  H   UNL     1     -10.712   0.189  -2.444  1.00  0.00           H  
HETATM  120  H   UNL     1     -12.646  -1.610  -2.459  1.00  0.00           H  
HETATM  121  H   UNL     1     -14.527  -0.645  -1.338  1.00  0.00           H  
HETATM  122  H   UNL     1     -13.587   0.912   0.579  1.00  0.00           H  
HETATM  123  H   UNL     1     -12.362   1.455  -0.593  1.00  0.00           H  
HETATM  124  H   UNL     1     -14.157   2.318  -2.070  1.00  0.00           H  
HETATM  125  H   UNL     1     -15.382   1.776  -0.898  1.00  0.00           H  
HETATM  126  H   UNL     1     -14.395   3.264   0.822  1.00  0.00           H  
HETATM  127  H   UNL     1     -13.170   3.806  -0.349  1.00  0.00           H  
HETATM  128  H   UNL     1     -14.965   4.670  -1.826  1.00  0.00           H  
HETATM  129  H   UNL     1     -16.190   4.127  -0.655  1.00  0.00           H  
HETATM  130  H   UNL     1     -15.203   5.616   1.066  1.00  0.00           H  
HETATM  131  H   UNL     1     -13.978   6.158  -0.106  1.00  0.00           H  
HETATM  132  H   UNL     1     -15.773   7.021  -1.583  1.00  0.00           H  
HETATM  133  H   UNL     1     -16.998   6.479  -0.411  1.00  0.00           H  
HETATM  134  H   UNL     1     -16.011   7.967   1.309  1.00  0.00           H  
HETATM  135  H   UNL     1     -14.786   8.510   0.137  1.00  0.00           H  
HETATM  136  H   UNL     1     -16.581   9.373  -1.339  1.00  0.00           H  
HETATM  137  H   UNL     1     -17.806   8.831  -0.168  1.00  0.00           H  
HETATM  138  H   UNL     1     -16.664  10.123   0.273  1.00  0.00           H  
HETATM  139  H   UNL     1      -0.504  -4.037  -2.454  1.00  0.00           H  
CONECT    1    2   52   55   56                                       
CONECT    2    1    3   46   57                                       
CONECT    3    2   47   58   59                                       
CONECT    4    5   53   60   61                                       
CONECT    5    4   45   62   63                                       
CONECT    6   45   64   65   66                                       
CONECT    7   45   67   68   69                                       
CONECT    8   45   70   71   72                                       
CONECT    9   10   47   48   48                                       
CONECT   10    9   11   73   74                                       
CONECT   11   10   12   75   76                                       
CONECT   12   11   13   77   78                                       
CONECT   13   12   14   79   80                                       
CONECT   14   13   15   81   82                                       
CONECT   15   14   16   83   84                                       
CONECT   16   15   17   85   86                                       
CONECT   17   16   18   18   87                                       
CONECT   18   17   17   19   88                                       
CONECT   19   18   20   89   90                                       
CONECT   20   19   21   91   92                                       
CONECT   21   20   22   93   94                                       
CONECT   22   21   23   95   96                                       
CONECT   23   22   24   97   98                                       
CONECT   24   23   25   99  100                                       
CONECT   25   24   26  101  102                                       
CONECT   26   25  103  104  105                                       
CONECT   27   28   46   49   49                                       
CONECT   28   27   29  106  107                                       
CONECT   29   28   30  108  109                                       
CONECT   30   29   31  110  111                                       
CONECT   31   30   32  112  113                                       
CONECT   32   31   33  114  115                                       
CONECT   33   32   34  116  117                                       
CONECT   34   33   35  118  119                                       
CONECT   35   34   36   36  120                                       
CONECT   36   35   35   37  121                                       
CONECT   37   36   38  122  123                                       
CONECT   38   37   39  124  125                                       
CONECT   39   38   40  126  127                                       
CONECT   40   39   41  128  129                                       
CONECT   41   40   42  130  131                                       
CONECT   42   41   43  132  133                                       
CONECT   43   42   44  134  135                                       
CONECT   44   43  136  137  138                                       
CONECT   45    5    6    7    8                                       
CONECT   46    2   27                                                 
CONECT   47    3    9                                                 
CONECT   48    9    9                                                 
CONECT   49   27   27                                                 
CONECT   50   54  139                                                 
CONECT   51   54   54                                                 
CONECT   52    1   54                                                 
CONECT   53    4   54                                                 
CONECT   54   50   51   51   52                                       
CONECT   54   53                                                      
CONECT   55    1                                                      
CONECT   56    1                                                      
CONECT   57    2                                                      
CONECT   58    3                                                      
CONECT   59    3                                                      
CONECT   60    4                                                      
CONECT   61    4                                                      
CONECT   62    5                                                      
CONECT   63    5                                                      
CONECT   64    6                                                      
CONECT   65    6                                                      
CONECT   66    6                                                      
CONECT   67    7                                                      
CONECT   68    7                                                      
CONECT   69    7                                                      
CONECT   70    8                                                      
CONECT   71    8                                                      
CONECT   72    8                                                      
CONECT   73   10                                                      
CONECT   74   10                                                      
CONECT   75   11                                                      
CONECT   76   11                                                      
CONECT   77   12                                                      
CONECT   78   12                                                      
CONECT   79   13                                                      
CONECT   80   13                                                      
CONECT   81   14                                                      
CONECT   82   14                                                      
CONECT   83   15                                                      
CONECT   84   15                                                      
CONECT   85   16                                                      
CONECT   86   16                                                      
CONECT   87   17                                                      
CONECT   88   18                                                      
CONECT   89   19                                                      
CONECT   90   19                                                      
CONECT   91   20                                                      
CONECT   92   20                                                      
CONECT   93   21                                                      
CONECT   94   21                                                      
CONECT   95   22                                                      
CONECT   96   22                                                      
CONECT   97   23                                                      
CONECT   98   23                                                      
CONECT   99   24                                                      
CONECT  100   24                                                      
CONECT  101   25                                                      
CONECT  102   25                                                      
CONECT  103   26                                                      
CONECT  104   26                                                      
CONECT  105   26                                                      
CONECT  106   28                                                      
CONECT  107   28                                                      
CONECT  108   29                                                      
CONECT  109   29                                                      
CONECT  110   30                                                      
CONECT  111   30                                                      
CONECT  112   31                                                      
CONECT  113   31                                                      
CONECT  114   32                                                      
CONECT  115   32                                                      
CONECT  116   33                                                      
CONECT  117   33                                                      
CONECT  118   34                                                      
CONECT  119   34                                                      
CONECT  120   35                                                      
CONECT  121   36                                                      
CONECT  122   37                                                      
CONECT  123   37                                                      
CONECT  124   38                                                      
CONECT  125   38                                                      
CONECT  126   39                                                      
CONECT  127   39                                                      
CONECT  128   40                                                      
CONECT  129   40                                                      
CONECT  130   41                                                      
CONECT  131   41                                                      
CONECT  132   42                                                      
CONECT  133   42                                                      
CONECT  134   43                                                      
CONECT  135   43                                                      
CONECT  136   44                                                      
CONECT  137   44                                                      
CONECT  138   44                                                      
CONECT  139   50                                                      
MASTER        0    0    0    0    0    0    0    0  139    0  139    0
END
