COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   1      -7.241  -1.879  -0.533  1.00  0.00           N  
HETATM    2  C   UNK A   1      -7.959  -1.760   0.757  1.00  0.00           C  
HETATM    3  C   UNK A   1      -8.817  -2.981   0.972  1.00  0.00           C  
HETATM    4  O   UNK A   1      -9.254  -3.287   2.204  1.00  0.00           O  
HETATM    5  C   UNK A   1      -8.848  -0.515   0.710  1.00  0.00           C  
HETATM    6  C   UNK A   1      -8.035   0.710   1.133  1.00  0.00           C  
HETATM    7  C   UNK A   1      -8.755   1.983   0.685  1.00  0.00           C  
HETATM    8  C   UNK A   1      -8.255   3.170   1.512  1.00  0.00           C  
HETATM    9  N   UNK A   1      -7.276   3.931   0.700  1.00  0.00           N  
HETATM   10  O   UNK A   1      -9.111  -3.685   0.035  1.00  0.00           O  
HETATM   11  C   UNK A   1      -4.689   5.751   0.745  1.00  0.00           C  
HETATM   12  C   UNK A   1       0.233   1.902  -1.066  1.00  0.00           C  
HETATM   13  C   UNK A   1       0.672   1.108  -2.109  1.00  0.00           C  
HETATM   14  C   UNK A   1       1.866   0.421  -2.002  1.00  0.00           C  
HETATM   15  C   UNK A   1       2.625   0.528  -0.844  1.00  0.00           C  
HETATM   16  C   UNK A   1       4.863   0.377  -0.052  1.00  0.00           C  
HETATM   17  C   UNK A   1       6.201  -0.317  -0.028  1.00  0.00           C  
HETATM   18  C   UNK A   1      -4.904   4.358   0.147  1.00  0.00           C  
HETATM   19  C   UNK A   1       8.518   0.437   0.012  1.00  0.00           C  
HETATM   20  C   UNK A   1       9.584   1.415   0.433  1.00  0.00           C  
HETATM   21  C   UNK A   1      10.918   0.968  -0.106  1.00  0.00           C  
HETATM   22  C   UNK A   1      11.340   1.399  -1.350  1.00  0.00           C  
HETATM   23  C   UNK A   1      12.564   0.989  -1.845  1.00  0.00           C  
HETATM   24  C   UNK A   1      13.366   0.148  -1.096  1.00  0.00           C  
HETATM   25  C   UNK A   1      12.944  -0.282   0.148  1.00  0.00           C  
HETATM   26  C   UNK A   1      11.722   0.132   0.645  1.00  0.00           C  
HETATM   27  C   UNK A   1       6.155  -1.480   0.965  1.00  0.00           C  
HETATM   28  C   UNK A   1       5.967  -0.933   2.382  1.00  0.00           C  
HETATM   29  C   UNK A   1       5.921  -2.096   3.375  1.00  0.00           C  
HETATM   30  C   UNK A   1       7.231  -2.882   3.301  1.00  0.00           C  
HETATM   31  C   UNK A   1       7.419  -3.429   1.884  1.00  0.00           C  
HETATM   32  C   UNK A   1       7.465  -2.266   0.891  1.00  0.00           C  
HETATM   33  C   UNK A   1       2.181   1.327   0.202  1.00  0.00           C  
HETATM   34  C   UNK A   1       0.987   2.011   0.088  1.00  0.00           C  
HETATM   35  C   UNK A   1      -2.623  -0.581  -0.915  1.00  0.00           C  
HETATM   36  C   UNK A   1      -2.665  -1.842  -1.735  1.00  0.00           C  
HETATM   37  C   UNK A   0      -4.023  -2.529  -1.604  1.00  0.00           C  
HETATM   38  C   UNK A   0      -4.124  -3.643  -2.659  1.00  0.00           C  
HETATM   39  C   UNK A   0      -3.776  -4.961  -1.957  1.00  0.00           C  
HETATM   40  C   UNK A   0      -3.614  -4.659  -0.463  1.00  0.00           C  
HETATM   41  C   UNK A   0      -4.129  -3.227  -0.244  1.00  0.00           C  
HETATM   42  C   UNK A   0      -5.153  -1.526  -1.802  1.00  0.00           C  
HETATM   43  C   UNK A   0      -5.965  -1.383  -0.542  1.00  0.00           C  
HETATM   44  C   UNK A   1      -3.493   2.577  -0.678  1.00  0.00           C  
HETATM   45  C   UNK A   1      -5.962   3.629   0.937  1.00  0.00           C  
HETATM   46  C   UNK A   1      -2.213   1.782  -0.670  1.00  0.00           C  
HETATM   47  C   UNK A   1      -1.066   2.655  -1.189  1.00  0.00           C  
HETATM   48  N   UNK A   1       3.834  -0.167  -0.732  1.00  0.00           N  
HETATM   49  N   UNK A   1       7.237   0.635   0.382  1.00  0.00           N  
HETATM   50  N   UNK A   1      -2.374   0.604  -1.555  1.00  0.00           N  
HETATM   51  N   UNK A   1      -3.643   3.592   0.218  1.00  0.00           N  
HETATM   52  O   UNK A   1       4.713   1.425   0.540  1.00  0.00           O  
HETATM   53  O   UNK A   1       8.813  -0.529  -0.661  1.00  0.00           O  
HETATM   54  O   UNK A   1      -2.800  -0.609   0.284  1.00  0.00           O  
HETATM   55  O   UNK A   0      -5.499  -0.840   0.437  1.00  0.00           O  
HETATM   56  O   UNK A   1      -5.652   2.796   1.762  1.00  0.00           O  
HETATM   57  O   UNK A   1      -4.374   2.316  -1.470  1.00  0.00           O  
HETATM   58  H   UNK A   1      -7.645  -2.287  -1.317  1.00  0.00           H  
HETATM   59  H   UNK A   1      -7.244  -1.670   1.574  1.00  0.00           H  
HETATM   60  H   UNK A   1      -9.800  -4.080   2.292  1.00  0.00           H  
HETATM   61  H   UNK A   1      -9.221  -0.372  -0.304  1.00  0.00           H  
HETATM   62  H   UNK A   1      -9.689  -0.645   1.392  1.00  0.00           H  
HETATM   63  H   UNK A   1      -7.926   0.716   2.218  1.00  0.00           H  
HETATM   64  H   UNK A   1      -7.049   0.674   0.669  1.00  0.00           H  
HETATM   65  H   UNK A   1      -8.546   2.165  -0.370  1.00  0.00           H  
HETATM   66  H   UNK A   1      -9.828   1.865   0.828  1.00  0.00           H  
HETATM   67  H   UNK A   1      -9.096   3.814   1.770  1.00  0.00           H  
HETATM   68  H   UNK A   1      -7.781   2.809   2.424  1.00  0.00           H  
HETATM   69  H   UNK A   1      -7.548   4.595   0.047  1.00  0.00           H  
HETATM   70  H   UNK A   1      -4.371   5.655   1.783  1.00  0.00           H  
HETATM   71  H   UNK A   1      -3.921   6.275   0.177  1.00  0.00           H  
HETATM   72  H   UNK A   1      -5.621   6.313   0.701  1.00  0.00           H  
HETATM   73  H   UNK A   1       0.081   1.024  -3.009  1.00  0.00           H  
HETATM   74  H   UNK A   1       2.208  -0.199  -2.817  1.00  0.00           H  
HETATM   75  H   UNK A   1       6.431  -0.697  -1.023  1.00  0.00           H  
HETATM   76  H   UNK A   1      -5.222   4.452  -0.891  1.00  0.00           H  
HETATM   77  H   UNK A   1       9.345   2.404   0.040  1.00  0.00           H  
HETATM   78  H   UNK A   1       9.628   1.458   1.522  1.00  0.00           H  
HETATM   79  H   UNK A   1      10.714   2.056  -1.935  1.00  0.00           H  
HETATM   80  H   UNK A   1      12.893   1.325  -2.817  1.00  0.00           H  
HETATM   81  H   UNK A   1      14.322  -0.173  -1.482  1.00  0.00           H  
HETATM   82  H   UNK A   1      13.570  -0.939   0.733  1.00  0.00           H  
HETATM   83  H   UNK A   1      11.394  -0.201   1.619  1.00  0.00           H  
HETATM   84  H   UNK A   1       5.322  -2.137   0.716  1.00  0.00           H  
HETATM   85  H   UNK A   1       6.800  -0.276   2.631  1.00  0.00           H  
HETATM   86  H   UNK A   1       5.034  -0.373   2.435  1.00  0.00           H  
HETATM   87  H   UNK A   1       5.787  -1.707   4.384  1.00  0.00           H  
HETATM   88  H   UNK A   1       5.088  -2.754   3.126  1.00  0.00           H  
HETATM   89  H   UNK A   1       8.064  -2.225   3.550  1.00  0.00           H  
HETATM   90  H   UNK A   1       7.198  -3.711   4.008  1.00  0.00           H  
HETATM   91  H   UNK A   1       8.352  -3.989   1.831  1.00  0.00           H  
HETATM   92  H   UNK A   1       6.586  -4.086   1.635  1.00  0.00           H  
HETATM   93  H   UNK A   1       7.598  -2.655  -0.118  1.00  0.00           H  
HETATM   94  H   UNK A   1       8.298  -1.608   1.140  1.00  0.00           H  
HETATM   95  H   UNK A   1       2.770   1.412   1.104  1.00  0.00           H  
HETATM   96  H   UNK A   1       0.642   2.632   0.901  1.00  0.00           H  
HETATM   97  H   UNK A   1      -2.483  -1.597  -2.784  1.00  0.00           H  
HETATM   98  H   UNK A   1      -1.883  -2.522  -1.390  1.00  0.00           H  
HETATM   99  H   UNK A   0      -5.137  -3.689  -3.052  1.00  0.00           H  
HETATM  100  H   UNK A   0      -3.414  -3.452  -3.461  1.00  0.00           H  
HETATM  101  H   UNK A   0      -4.583  -5.679  -2.101  1.00  0.00           H  
HETATM  102  H   UNK A   0      -2.845  -5.358  -2.356  1.00  0.00           H  
HETATM  103  H   UNK A   0      -4.205  -5.356   0.125  1.00  0.00           H  
HETATM  104  H   UNK A   0      -2.565  -4.716  -0.184  1.00  0.00           H  
HETATM  105  H   UNK A   0      -3.513  -2.721   0.493  1.00  0.00           H  
HETATM  106  H   UNK A   0      -5.165  -3.273   0.083  1.00  0.00           H  
HETATM  107  H   UNK A   0      -4.738  -0.554  -2.076  1.00  0.00           H  
HETATM  108  H   UNK A   0      -5.805  -1.865  -2.611  1.00  0.00           H  
HETATM  109  H   UNK A   1      -1.990   1.458   0.346  1.00  0.00           H  
HETATM  110  H   UNK A   1      -1.013   3.571  -0.601  1.00  0.00           H  
HETATM  111  H   UNK A   1      -1.244   2.904  -2.235  1.00  0.00           H  
HETATM  112  H   UNK A   1       3.932  -1.040  -1.143  1.00  0.00           H  
HETATM  113  H   UNK A   1       7.001   1.407   0.920  1.00  0.00           H  
HETATM  114  H   UNK A   1      -2.307   0.666  -2.522  1.00  0.00           H  
HETATM  115  H   UNK A   1      -2.957   3.802   0.872  1.00  0.00           H  
CONECT    1    2   43   58                                            
CONECT    2    3    5    1   59                                       
CONECT    3   10   10    4    2                                       
CONECT    4    3   60                                                 
CONECT    5    2    6   61   62                                       
CONECT    6    5    7   63   64                                       
CONECT    7    6    8   65   66                                       
CONECT    8    7    9   67   68                                       
CONECT    9    8   45   69                                            
CONECT   10    3    3                                                 
CONECT   11   18   70   71   72                                       
CONECT   12   47   13   13   34                                       
CONECT   13   12   12   14   73                                       
CONECT   14   13   15   15   74                                       
CONECT   15   14   14   33   48                                       
CONECT   16   52   52   17   48                                       
CONECT   17   27   16   49   75                                       
CONECT   18   45   51   11   76                                       
CONECT   19   49   20   53   53                                       
CONECT   20   19   21   77   78                                       
CONECT   21   20   22   22   26                                       
CONECT   22   21   21   23   79                                       
CONECT   23   22   24   24   80                                       
CONECT   24   23   23   25   81                                       
CONECT   25   26   26   24   82                                       
CONECT   26   21   25   25   83                                       
CONECT   27   32   28   17   84                                       
CONECT   28   29   27   85   86                                       
CONECT   29   30   28   87   88                                       
CONECT   30   31   29   89   90                                       
CONECT   31   30   32   91   92                                       
CONECT   32   31   27   93   94                                       
CONECT   33   34   34   15   95                                       
CONECT   34   12   33   33   96                                       
CONECT   35   36   54   54   50                                       
CONECT   36   37   35   97   98                                       
CONECT   37   42   41   36   38                                       
CONECT   38   37   39   99  100                                       
CONECT   39   40   38  101  102                                       
CONECT   40   41   39  103  104                                       
CONECT   41   40   37  105  106                                       
CONECT   42   43   37  107  108                                       
CONECT   43   55   55    1   42                                       
CONECT   44   51   46   57   57                                       
CONECT   45    9   56   56   18                                       
CONECT   46   50   44   47  109                                       
CONECT   47   46   12  110  111                                       
CONECT   48   16   15  112                                            
CONECT   49   17   19  113                                            
CONECT   50   35   46  114                                            
CONECT   51   18   44  115                                            
CONECT   52   16   16                                                 
CONECT   53   19   19                                                 
CONECT   54   35   35                                                 
CONECT   55   43   43                                                 
CONECT   56   45   45                                                 
CONECT   57   44   44                                                 
CONECT   58    1                                                      
CONECT   59    2                                                      
CONECT   60    4                                                      
CONECT   61    5                                                      
CONECT   62    5                                                      
CONECT   63    6                                                      
CONECT   64    6                                                      
CONECT   65    7                                                      
CONECT   66    7                                                      
CONECT   67    8                                                      
CONECT   68    8                                                      
CONECT   69    9                                                      
CONECT   70   11                                                      
CONECT   71   11                                                      
CONECT   72   11                                                      
CONECT   73   13                                                      
CONECT   74   14                                                      
CONECT   75   17                                                      
CONECT   76   18                                                      
CONECT   77   20                                                      
CONECT   78   20                                                      
CONECT   79   22                                                      
CONECT   80   23                                                      
CONECT   81   24                                                      
CONECT   82   25                                                      
CONECT   83   26                                                      
CONECT   84   27                                                      
CONECT   85   28                                                      
CONECT   86   28                                                      
CONECT   87   29                                                      
CONECT   88   29                                                      
CONECT   89   30                                                      
CONECT   90   30                                                      
CONECT   91   31                                                      
CONECT   92   31                                                      
CONECT   93   32                                                      
CONECT   94   32                                                      
CONECT   95   33                                                      
CONECT   96   34                                                      
CONECT   97   36                                                      
CONECT   98   36                                                      
CONECT   99   38                                                      
CONECT  100   38                                                      
CONECT  101   39                                                      
CONECT  102   39                                                      
CONECT  103   40                                                      
CONECT  104   40                                                      
CONECT  105   41                                                      
CONECT  106   41                                                      
CONECT  107   42                                                      
CONECT  108   42                                                      
CONECT  109   46                                                      
CONECT  110   47                                                      
CONECT  111   47                                                      
CONECT  112   48                                                      
CONECT  113   49                                                      
CONECT  114   50                                                      
CONECT  115   51                                                      
MASTER        0    0    0    0    0    0    0    0  115    0  115    0
END
