COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.337   1.957  -1.487  1.00  0.00           C  
HETATM    2  C   UNL     1     -11.494   0.561  -2.570  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.330   0.374   0.182  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.463   2.043   1.702  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.212   2.096   1.912  1.00  0.00           C  
HETATM    6  C   UNL     1     -13.204   1.798  -4.433  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.616   3.776  -4.483  1.00  0.00           C  
HETATM    8  C   UNL     1     -11.302  -5.801   0.807  1.00  0.00           C  
HETATM    9  C   UNL     1      11.460   2.139  -2.470  1.00  0.00           C  
HETATM   10  C   UNL     1      10.534   0.290  -1.250  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.828  -3.900   1.068  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.679  -3.239   1.685  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.348  -1.979   1.323  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.111  -1.303   0.347  1.00  0.00           C  
HETATM   15  C   UNL     1     -10.262  -1.956  -0.276  1.00  0.00           C  
HETATM   16  C   UNL     1     -10.594  -3.227   0.092  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.779   0.008  -0.041  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.617   0.652  -1.060  1.00  0.00           C  
HETATM   19  C   UNL     1     -10.707  -0.052  -1.608  1.00  0.00           C  
HETATM   20  C   UNL     1     -10.121   2.546  -2.434  1.00  0.00           C  
HETATM   21  C   UNL     1     -11.200   1.853  -2.985  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.629   0.712   0.556  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.248   1.039   0.755  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.747   2.391   2.070  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.839   1.730   1.509  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.358  -5.837   2.438  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.867   0.681   0.359  1.00  0.00           C  
HETATM   28  C   UNL     1      10.405   1.570  -1.791  1.00  0.00           C  
HETATM   29  C   UNL     1      11.734  -0.408  -1.401  1.00  0.00           C  
HETATM   30  C   UNL     1      12.781   0.167  -2.094  1.00  0.00           C  
HETATM   31  C   UNL     1      12.648   1.440  -2.623  1.00  0.00           C  
HETATM   32  C   UNL     1       9.404  -0.325  -0.519  1.00  0.00           C  
HETATM   33  C   UNL     1       8.766   0.368   0.534  1.00  0.00           C  
HETATM   34  C   UNL     1       7.702  -0.263   1.190  1.00  0.00           C  
HETATM   35  C   UNL     1       7.960  -2.094  -0.189  1.00  0.00           C  
HETATM   36  C   UNL     1       7.509  -3.452  -0.581  1.00  0.00           C  
HETATM   37  C   UNL     1       6.072  -5.226  -0.249  1.00  0.00           C  
HETATM   38  C   UNL     1       6.660  -5.944  -1.276  1.00  0.00           C  
HETATM   39  C   UNL     1       7.720  -5.386  -1.975  1.00  0.00           C  
HETATM   40  C   UNL     1       8.151  -4.119  -1.621  1.00  0.00           C  
HETATM   41  C   UNL     1       9.207   1.716   0.930  1.00  0.00           C  
HETATM   42  C   UNL     1      10.541   3.214   2.226  1.00  0.00           C  
HETATM   43  C   UNL     1       6.984   0.428   2.319  1.00  0.00           C  
HETATM   44  C   UNL     1       5.284   2.081   2.813  1.00  0.00           C  
HETATM   45  C   UNL     1       4.244   3.005   2.172  1.00  0.00           C  
HETATM   46  C   UNL     1       3.782   1.182   0.488  1.00  0.00           C  
HETATM   47  C   UNL     1       4.841   0.330   1.195  1.00  0.00           C  
HETATM   48  C   UNL     1       1.947   2.329   1.641  1.00  0.00           C  
HETATM   49  C   UNL     1       0.968   1.470   0.882  1.00  0.00           C  
HETATM   50  C   UNL     1      -0.459   1.840   1.291  1.00  0.00           C  
HETATM   51  C   UNL     1      -1.453   0.969   0.520  1.00  0.00           C  
HETATM   52  F   UNL     1      13.679   2.003  -3.290  1.00  0.00           F  
HETATM   53  N   UNL     1     -10.151  -5.136   1.425  1.00  0.00           N1+
HETATM   54  N   UNL     1     -11.992   2.464  -3.950  1.00  0.00           N  
HETATM   55  N   UNL     1       7.337  -1.472   0.805  1.00  0.00           N  
HETATM   56  N   UNL     1       8.967  -1.538  -0.844  1.00  0.00           N  
HETATM   57  N   UNL     1       6.502  -4.023   0.067  1.00  0.00           N  
HETATM   58  N   UNL     1       5.862   1.209   1.781  1.00  0.00           N  
HETATM   59  N   UNL     1       3.271   2.178   1.441  1.00  0.00           N  
HETATM   60  N   UNL     1      -2.819   1.323   0.912  1.00  0.00           N  
HETATM   61  O   UNL     1     -10.993  -1.310  -1.209  1.00  0.00           O  
HETATM   62  O   UNL     1      -9.392   2.979   2.739  1.00  0.00           O  
HETATM   63  O   UNL     1     -10.169   1.516   1.419  1.00  0.00           O1-
HETATM   64  O   UNL     1      -3.678  -0.191  -0.466  1.00  0.00           O  
HETATM   65  O   UNL     1       8.644   2.696   0.483  1.00  0.00           O  
HETATM   66  O   UNL     1      10.236   1.863   1.788  1.00  0.00           O  
HETATM   67  O   UNL     1       1.543   3.155   2.431  1.00  0.00           O  
HETATM   68 CL   UNL     1      11.904  -2.001  -0.732  1.00  0.00          Cl  
HETATM   69  H   UNL     1      -8.503   2.497  -1.063  1.00  0.00           H  
HETATM   70  H   UNL     1     -12.331   0.032  -3.002  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.162  -0.405  -0.547  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.621   2.557   2.139  1.00  0.00           H  
HETATM   73  H   UNL     1     -14.052   2.090  -3.814  1.00  0.00           H  
HETATM   74  H   UNL     1     -13.391   2.089  -5.467  1.00  0.00           H  
HETATM   75  H   UNL     1     -13.070   0.717  -4.379  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.744   4.150  -3.946  1.00  0.00           H  
HETATM   77  H   UNL     1     -11.377   3.682  -5.543  1.00  0.00           H  
HETATM   78  H   UNL     1     -12.446   4.471  -4.358  1.00  0.00           H  
HETATM   79  H   UNL     1     -11.146  -5.870  -0.269  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.410  -6.802   1.224  1.00  0.00           H  
HETATM   81  H   UNL     1     -12.205  -5.224   1.007  1.00  0.00           H  
HETATM   82  H   UNL     1      11.361   3.130  -2.889  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.096  -3.757   2.432  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.500  -1.490   1.780  1.00  0.00           H  
HETATM   85  H   UNL     1     -11.441  -3.718  -0.363  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.907   3.553  -2.758  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.906   3.176   2.794  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.550  -6.384   1.952  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.938  -5.113   3.136  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.995  -6.536   2.980  1.00  0.00           H  
HETATM   91  H   UNL     1       9.479   2.114  -1.676  1.00  0.00           H  
HETATM   92  H   UNL     1      13.708  -0.374  -2.215  1.00  0.00           H  
HETATM   93  H   UNL     1       5.246  -5.657   0.297  1.00  0.00           H  
HETATM   94  H   UNL     1       6.298  -6.929  -1.530  1.00  0.00           H  
HETATM   95  H   UNL     1       8.196  -5.927  -2.780  1.00  0.00           H  
HETATM   96  H   UNL     1       8.974  -3.654  -2.144  1.00  0.00           H  
HETATM   97  H   UNL     1      11.434   3.200   2.850  1.00  0.00           H  
HETATM   98  H   UNL     1      10.716   3.847   1.356  1.00  0.00           H  
HETATM   99  H   UNL     1       9.703   3.608   2.800  1.00  0.00           H  
HETATM  100  H   UNL     1       6.605  -0.317   3.020  1.00  0.00           H  
HETATM  101  H   UNL     1       7.675   1.094   2.836  1.00  0.00           H  
HETATM  102  H   UNL     1       6.074   2.681   3.265  1.00  0.00           H  
HETATM  103  H   UNL     1       4.806   1.471   3.579  1.00  0.00           H  
HETATM  104  H   UNL     1       3.731   3.574   2.948  1.00  0.00           H  
HETATM  105  H   UNL     1       4.737   3.688   1.479  1.00  0.00           H  
HETATM  106  H   UNL     1       4.231   1.689  -0.366  1.00  0.00           H  
HETATM  107  H   UNL     1       2.967   0.544   0.148  1.00  0.00           H  
HETATM  108  H   UNL     1       4.370  -0.256   1.984  1.00  0.00           H  
HETATM  109  H   UNL     1       5.309  -0.341   0.475  1.00  0.00           H  
HETATM  110  H   UNL     1       1.094   1.636  -0.188  1.00  0.00           H  
HETATM  111  H   UNL     1       1.151   0.421   1.111  1.00  0.00           H  
HETATM  112  H   UNL     1      -0.585   1.675   2.361  1.00  0.00           H  
HETATM  113  H   UNL     1      -0.642   2.890   1.062  1.00  0.00           H  
HETATM  114  H   UNL     1      -1.327   1.134  -0.550  1.00  0.00           H  
HETATM  115  H   UNL     1      -1.270  -0.081   0.750  1.00  0.00           H  
HETATM  116  H   UNL     1      -2.970   2.020   1.570  1.00  0.00           H  
CONECT    1   18   18   20   69                                       
CONECT    2   19   19   21   70                                       
CONECT    3   23   22   22   71                                       
CONECT    4   23   23   24   72                                       
CONECT    5   25   62   62   63                                       
CONECT    6   54   73   74   75                                       
CONECT    7   54   76   77   78                                       
CONECT    8   53   79   80   81                                       
CONECT    9   31   28   28   82                                       
CONECT   10   29   29   28   32                                       
CONECT   11   12   53   53   16                                       
CONECT   12   13   13   11   83                                       
CONECT   13   12   12   14   84                                       
CONECT   14   13   17   17   15                                       
CONECT   15   14   16   16   61                                       
CONECT   16   11   15   15   85                                       
CONECT   17   22   14   14   18                                       
CONECT   18   17    1    1   19                                       
CONECT   19   18   61    2    2                                       
CONECT   20    1   21   21   86                                       
CONECT   21   20   20    2   54                                       
CONECT   22    3    3   25   17                                       
CONECT   23   27    4    4    3                                       
CONECT   24    4   25   25   87                                       
CONECT   25   24   24   22    5                                       
CONECT   26   53   88   89   90                                       
CONECT   27   60   64   64   23                                       
CONECT   28    9    9   10   91                                       
CONECT   29   68   30   10   10                                       
CONECT   30   31   31   29   92                                       
CONECT   31   52   30   30    9                                       
CONECT   32   10   33   33   56                                       
CONECT   33   41   32   32   34                                       
CONECT   34   33   43   55   55                                       
CONECT   35   56   56   55   36                                       
CONECT   36   35   40   40   57                                       
CONECT   37   57   57   38   93                                       
CONECT   38   39   39   37   94                                       
CONECT   39   40   38   38   95                                       
CONECT   40   36   36   39   96                                       
CONECT   41   66   65   65   33                                       
CONECT   42   66   97   98   99                                       
CONECT   43   34   58  100  101                                       
CONECT   44   58   45  102  103                                       
CONECT   45   44   59  104  105                                       
CONECT   46   47   59  106  107                                       
CONECT   47   58   46  108  109                                       
CONECT   48   59   49   67   67                                       
CONECT   49   50   48  110  111                                       
CONECT   50   49   51  112  113                                       
CONECT   51   50   60  114  115                                       
CONECT   52   31                                                      
CONECT   53    8   11   11   26                                       
CONECT   54   21    6    7                                            
CONECT   55   34   34   35                                            
CONECT   56   32   35   35                                            
CONECT   57   36   37   37                                            
CONECT   58   43   44   47                                            
CONECT   59   45   46   48                                            
CONECT   60   51   27  116                                            
CONECT   61   15   19                                                 
CONECT   62    5    5                                                 
CONECT   63    5                                                      
CONECT   64   27   27                                                 
CONECT   65   41   41                                                 
CONECT   66   42   41                                                 
CONECT   67   48   48                                                 
CONECT   68   29                                                      
CONECT   69    1                                                      
CONECT   70    2                                                      
CONECT   71    3                                                      
CONECT   72    4                                                      
CONECT   73    6                                                      
CONECT   74    6                                                      
CONECT   75    6                                                      
CONECT   76    7                                                      
CONECT   77    7                                                      
CONECT   78    7                                                      
CONECT   79    8                                                      
CONECT   80    8                                                      
CONECT   81    8                                                      
CONECT   82    9                                                      
CONECT   83   12                                                      
CONECT   84   13                                                      
CONECT   85   16                                                      
CONECT   86   20                                                      
CONECT   87   24                                                      
CONECT   88   26                                                      
CONECT   89   26                                                      
CONECT   90   26                                                      
CONECT   91   28                                                      
CONECT   92   30                                                      
CONECT   93   37                                                      
CONECT   94   38                                                      
CONECT   95   39                                                      
CONECT   96   40                                                      
CONECT   97   42                                                      
CONECT   98   42                                                      
CONECT   99   42                                                      
CONECT  100   43                                                      
CONECT  101   43                                                      
CONECT  102   44                                                      
CONECT  103   44                                                      
CONECT  104   45                                                      
CONECT  105   45                                                      
CONECT  106   46                                                      
CONECT  107   46                                                      
CONECT  108   47                                                      
CONECT  109   47                                                      
CONECT  110   49                                                      
CONECT  111   49                                                      
CONECT  112   50                                                      
CONECT  113   50                                                      
CONECT  114   51                                                      
CONECT  115   51                                                      
CONECT  116   60                                                      
MASTER        0    0    0    0    0    0    0    0  116    0  116    0
END
