COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.268   0.126  12.798  1.00  0.00           C  
HETATM    2  N   UNL     1       0.458   1.225  14.133  1.00  0.00           N  
HETATM    3  C   UNL     1       0.855   0.569  13.077  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.209   0.358  12.273  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.298   0.912  12.890  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.861   1.450  14.045  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.201  -0.340  10.986  1.00  0.00           C  
HETATM    8  C   UNL     1       0.052   0.665   9.861  1.00  0.00           C  
HETATM    9  C   UNL     1       0.060  -0.064   8.516  1.00  0.00           C  
HETATM   10  C   UNL     1       0.313   0.940   7.391  1.00  0.00           C  
HETATM   11  C   UNL     1       0.322   0.221   6.067  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.853   0.071   5.355  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.845  -0.588   4.140  1.00  0.00           C  
HETATM   14  C   UNL     1       0.337  -1.097   3.638  1.00  0.00           C  
HETATM   15  C   UNL     1       1.512  -0.946   4.349  1.00  0.00           C  
HETATM   16  C   UNL     1       1.505  -0.283   5.562  1.00  0.00           C  
HETATM   17  C   UNL     1       0.345  -1.817   2.314  1.00  0.00           C  
HETATM   18  C   UNL     1       0.594  -0.827   1.205  1.00  0.00           C  
HETATM   19  O   UNL     1       0.749   0.347   1.465  1.00  0.00           O  
HETATM   20  N   UNL     1       0.644  -1.246  -0.074  1.00  0.00           N  
HETATM   21  CA  UNL     1       0.885  -0.284  -1.151  1.00  0.00           C  
HETATM   22  C   UNL     1       0.204  -0.757  -2.410  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.421  -1.795  -2.406  1.00  0.00           O  
HETATM   24  C   UNL     1       2.390  -0.165  -1.400  1.00  0.00           C  
HETATM   25  O   UNL     1       2.914  -1.440  -1.775  1.00  0.00           O  
HETATM   26  N   UNL     1       0.290  -0.025  -3.538  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.372  -0.485  -4.761  1.00  0.00           C  
HETATM   28  C   UNL     1       0.400  -0.003  -5.962  1.00  0.00           C  
HETATM   29  O   UNL     1       1.405   0.658  -5.812  1.00  0.00           O  
HETATM   30  C   UNL     1      -1.795   0.074  -4.812  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.579  -0.414  -3.592  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.002   0.145  -3.643  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.786  -0.344  -2.423  1.00  0.00           C  
HETATM   34  N   UNL     1      -6.152   0.193  -2.472  1.00  0.00           N  
HETATM   35  N   UNL     1      -0.025  -0.308  -7.204  1.00  0.00           N  
HETATM   36  C   UNL     1       0.724   0.160  -8.372  1.00  0.00           C  
HETATM   37  C   UNL     1       0.032  -0.319  -9.649  1.00  0.00           C  
HETATM   38  C   UNL     1       0.816   0.169 -10.869  1.00  0.00           C  
HETATM   39  C   UNL     1       0.125  -0.310 -12.146  1.00  0.00           C  
HETATM   40  C   UNL     1       0.909   0.178 -13.365  1.00  0.00           C  
HETATM   41  C   UNL     1       0.961   1.707 -13.358  1.00  0.00           C  
HETATM   42  C   UNL     1       1.653   2.187 -12.080  1.00  0.00           C  
HETATM   43  C   UNL     1       0.869   1.698 -10.861  1.00  0.00           C  
HETATM   44  H   UNL     1       2.966   0.826  13.258  1.00  0.00           H  
HETATM   45  H   UNL     1       2.425  -0.868  13.214  1.00  0.00           H  
HETATM   46  H   UNL     1       2.435   0.101  11.721  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.313   0.920  12.520  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.466   1.970  14.772  1.00  0.00           H  
HETATM   49  H   UNL     1       0.588  -1.092  10.986  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.164  -0.825  10.830  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.736   1.417   9.861  1.00  0.00           H  
HETATM   52  H   UNL     1       1.015   1.150  10.017  1.00  0.00           H  
HETATM   53  H   UNL     1       0.849  -0.816   8.516  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.903  -0.549   8.360  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.475   1.692   7.392  1.00  0.00           H  
HETATM   56  H   UNL     1       1.277   1.425   7.548  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.777   0.469   5.748  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.763  -0.706   3.584  1.00  0.00           H  
HETATM   59  H   UNL     1       2.436  -1.343   3.956  1.00  0.00           H  
HETATM   60  H   UNL     1       2.424  -0.164   6.118  1.00  0.00           H  
HETATM   61  H   UNL     1       1.135  -2.569   2.313  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.618  -2.302   2.158  1.00  0.00           H  
HETATM   63  H   UNL     1       0.519  -2.186  -0.281  1.00  0.00           H  
HETATM   64  HA  UNL     1       0.486   0.688  -0.866  1.00  0.00           H  
HETATM   65  H1  UNL     1       2.570   0.551  -2.202  1.00  0.00           H  
HETATM   66  H2  UNL     1       2.883   0.176  -0.490  1.00  0.00           H  
HETATM   67  H   UNL     1       3.862  -1.321  -1.922  1.00  0.00           H  
HETATM   68  H   UNL     1       0.791   0.805  -3.541  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.409  -1.574  -4.767  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.757   1.163  -4.806  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.288  -0.267  -5.722  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.616  -1.504  -3.598  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.086  -0.072  -2.682  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.964   1.234  -3.637  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.495  -0.197  -4.553  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.823  -1.433  -2.429  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.293  -0.002  -1.513  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.629  -0.153  -1.653  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.074   1.193  -2.361  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.829  -0.837  -7.325  1.00  0.00           H  
HETATM   81  H   UNL     1       0.762   1.249  -8.366  1.00  0.00           H  
HETATM   82  H   UNL     1       1.738  -0.238  -8.336  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.004  -1.409  -9.655  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.980   0.079  -9.685  1.00  0.00           H  
HETATM   85  H   UNL     1       1.830  -0.229 -10.833  1.00  0.00           H  
HETATM   86  H   UNL     1       0.087  -1.399 -12.151  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.888   0.088 -12.182  1.00  0.00           H  
HETATM   88  H   UNL     1       1.922  -0.220 -13.329  1.00  0.00           H  
HETATM   89  H   UNL     1       0.416  -0.163 -14.275  1.00  0.00           H  
HETATM   90  H   UNL     1       1.520   2.056 -14.226  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.051   2.106 -13.394  1.00  0.00           H  
HETATM   92  H   UNL     1       2.667   1.789 -12.044  1.00  0.00           H  
HETATM   93  H   UNL     1       1.691   3.277 -12.075  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.144   2.097 -10.897  1.00  0.00           H  
HETATM   95  H   UNL     1       1.362   2.040  -9.951  1.00  0.00           H  
CONECT    1    3   44   45   46                                       
CONECT    2    3    3    6                                            
CONECT    3    1    2    2    4                                       
CONECT    4    3    5    7                                            
CONECT    5    4    6    6   47                                       
CONECT    6    2    5    5   48                                       
CONECT    7    4    8   49   50                                       
CONECT    8    7    9   51   52                                       
CONECT    9    8   10   53   54                                       
CONECT   10    9   11   55   56                                       
CONECT   11   10   12   12   16                                       
CONECT   12   11   11   13   57                                       
CONECT   13   12   14   14   58                                       
CONECT   14   13   13   15   17                                       
CONECT   15   14   16   16   59                                       
CONECT   16   11   15   15   60                                       
CONECT   17   14   18   61   62                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   63                                            
CONECT   21   20   22   24   64                                       
CONECT   22   21   23   23   26                                       
CONECT   23   22   22                                                 
CONECT   24   21   25   65   66                                       
CONECT   25   24   67                                                 
CONECT   26   22   27   68                                            
CONECT   27   26   28   30   69                                       
CONECT   28   27   29   29   35                                       
CONECT   29   28   28                                                 
CONECT   30   27   31   70   71                                       
CONECT   31   30   32   72   73                                       
CONECT   32   31   33   74   75                                       
CONECT   33   32   34   76   77                                       
CONECT   34   33   78   79                                            
CONECT   35   28   36   80                                            
CONECT   36   35   37   81   82                                       
CONECT   37   36   38   83   84                                       
CONECT   38   37   39   43   85                                       
CONECT   39   38   40   86   87                                       
CONECT   40   39   41   88   89                                       
CONECT   41   40   42   90   91                                       
CONECT   42   41   43   92   93                                       
CONECT   43   38   42   94   95                                       
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   17                                                      
CONECT   62   17                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   30                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   40                                                      
CONECT   90   41                                                      
CONECT   91   41                                                      
CONECT   92   42                                                      
CONECT   93   42                                                      
CONECT   94   43                                                      
CONECT   95   43                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
