COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   1       1.131   2.145  -0.011  1.00  0.00           C  
HETATM    2  N   UNK A   1       1.472  -0.171   0.592  1.00  0.00           N  
HETATM    3  O   UNK A   1      -0.042   1.843  -0.071  1.00  0.00           O  
HETATM    4  C   UNK A   1       2.119   1.164   0.564  1.00  0.00           C  
HETATM    5  C   UNK A   1       3.370   1.114  -0.316  1.00  0.00           C  
HETATM    6  C   UNK A   1       5.608   0.046  -0.621  1.00  0.00           C  
HETATM    7  N   UNK A   1       6.554  -0.928  -0.071  1.00  0.00           N  
HETATM    8  C   UNK A   1       4.358   0.096   0.259  1.00  0.00           C  
HETATM    9  C   UNK A   1       7.758  -1.147  -0.697  1.00  0.00           C  
HETATM   10  C   UNK A   1       8.194  -2.976   0.736  1.00  0.00           C  
HETATM   11  O   UNK A   1       7.064  -2.897   1.170  1.00  0.00           O  
HETATM   12  C   UNK A   1       9.147  -3.998   1.298  1.00  0.00           C  
HETATM   13  N   UNK A   1       8.108  -0.409  -1.711  1.00  0.00           N  
HETATM   14  N   UNK A   1       8.597  -2.149  -0.250  1.00  0.00           N  
ATOM     15  N   PRO A   2       1.528   3.348  -0.463  1.00  0.00           N  
ATOM     16  CA  PRO A   2       0.637   4.354  -1.051  1.00  0.00           C  
ATOM     17  CB  PRO A   2       1.340   5.714  -0.949  1.00  0.00           C  
ATOM     18  CG  PRO A   2       2.812   5.397  -0.635  1.00  0.00           C  
ATOM     19  CD  PRO A   2       2.894   3.876  -0.444  1.00  0.00           C  
ATOM     20  C   PRO A   2      -0.656   4.379  -0.278  1.00  0.00           C  
ATOM     21  O   PRO A   2      -0.706   4.896   0.818  1.00  0.00           O  
HETATM   22  N   UNK A   3      -1.768   3.817  -0.823  1.00  0.00           N  
HETATM   23  C   UNK A   3      -2.943   3.659   0.050  1.00  0.00           C  
HETATM   24  C   UNK A   3      -2.878   2.321   0.757  1.00  0.00           C  
HETATM   25  O   UNK A   3      -2.080   2.017   1.617  1.00  0.00           O  
HETATM   26  C   UNK A   3      -4.229   3.558  -0.793  1.00  0.00           C  
HETATM   27  C   UNK A   3      -4.669   2.123  -0.594  1.00  0.00           C  
HETATM   28  O   UNK A   3      -5.617   1.597  -1.137  1.00  0.00           O  
HETATM   29  N   UNK A   3      -3.846   1.527   0.278  1.00  0.00           N  
HETATM   30  C   UNK A   4      -3.970   0.120   0.670  1.00  0.00           C  
HETATM   31  C   UNK A   4      -2.630  -0.553   0.512  1.00  0.00           C  
HETATM   32  O   UNK A   4      -2.212  -0.842  -0.590  1.00  0.00           O  
HETATM   33  C   UNK A   4      -4.999  -0.573  -0.225  1.00  0.00           C  
HETATM   34  C   UNK A   4      -5.266  -1.961   0.297  1.00  0.00           C  
HETATM   35  N   UNK A   4      -6.147  -2.288   1.254  1.00  0.00           N1+
HETATM   36  C   UNK A   4      -4.666  -3.092  -0.121  1.00  0.00           C  
HETATM   37  C   UNK A   4      -6.111  -3.578   1.450  1.00  0.00           C  
HETATM   38  N   UNK A   4      -5.200  -4.118   0.612  1.00  0.00           N  
HETATM   39  C   UNK A   5      -2.489  -4.719  -1.817  1.00  0.00           C  
HETATM   40  O   UNK A   5      -3.229  -4.989  -0.901  1.00  0.00           O  
HETATM   41  O   UNK A   5      -2.585  -5.387  -2.977  1.00  0.00           O  
HETATM   42  O   UNK A   5       0.402   0.457   2.448  1.00  0.00           O  
HETATM   43  C   UNK A   5      -1.456  -3.633  -1.657  1.00  0.00           C  
HETATM   44  C   UNK A   5       0.469  -0.308   1.509  1.00  0.00           C  
HETATM   45  C   UNK A   5      -0.548  -1.402   1.345  1.00  0.00           C  
HETATM   46  C   UNK A   5      -0.509  -1.935  -0.088  1.00  0.00           C  
HETATM   47  C   UNK A   5      -1.557  -3.037  -0.251  1.00  0.00           C  
HETATM   48  N   UNK A   5      -1.892  -0.832   1.630  1.00  0.00           N  
HETATM   49  H   UNK A   1       1.740  -0.893   0.002  1.00  0.00           H  
HETATM   50  H   UNK A   1       2.391   1.464   1.576  1.00  0.00           H  
HETATM   51  H   UNK A   1       3.091   0.818  -1.328  1.00  0.00           H  
HETATM   52  H   UNK A   1       3.836   2.099  -0.341  1.00  0.00           H  
HETATM   53  H   UNK A   1       6.075   1.031  -0.646  1.00  0.00           H  
HETATM   54  H   UNK A   1       5.330  -0.250  -1.633  1.00  0.00           H  
HETATM   55  H   UNK A   1       6.330  -1.419   0.735  1.00  0.00           H  
HETATM   56  H   UNK A   1       4.636   0.392   1.270  1.00  0.00           H  
HETATM   57  H   UNK A   1       3.891  -0.889   0.283  1.00  0.00           H  
HETATM   58  H   UNK A   1      10.107  -3.920   0.788  1.00  0.00           H  
HETATM   59  H   UNK A   1       9.287  -3.817   2.364  1.00  0.00           H  
HETATM   60  H   UNK A   1       8.738  -4.997   1.150  1.00  0.00           H  
HETATM   61  H   UNK A   1       8.987  -0.514  -2.107  1.00  0.00           H  
HETATM   62  H   UNK A   1       9.476  -2.258  -0.645  1.00  0.00           H  
ATOM     63  HA  PRO A   2       0.442   4.112  -2.094  1.00  0.00           H  
ATOM     64  HB1 PRO A   2       1.264   6.250  -1.895  1.00  0.00           H  
ATOM     65  HB2 PRO A   2       0.903   6.305  -0.144  1.00  0.00           H  
ATOM     66  HG1 PRO A   2       3.447   5.705  -1.466  1.00  0.00           H  
ATOM     67  HG2 PRO A   2       3.118   5.906   0.279  1.00  0.00           H  
ATOM     68  HD1 PRO A   2       3.365   3.649   0.512  1.00  0.00           H  
ATOM     69  HD2 PRO A   2       3.472   3.433  -1.255  1.00  0.00           H  
HETATM   70  H   UNK A   3      -1.786   3.531  -1.750  1.00  0.00           H  
HETATM   71  H   UNK A   3      -3.000   4.474   0.763  1.00  0.00           H  
HETATM   72  H   UNK A   3      -4.987   4.248  -0.422  1.00  0.00           H  
HETATM   73  H   UNK A   3      -4.016   3.752  -1.844  1.00  0.00           H  
HETATM   74  H   UNK A   4      -4.288   0.057   1.711  1.00  0.00           H  
HETATM   75  H   UNK A   4      -5.927   0.000  -0.223  1.00  0.00           H  
HETATM   76  H   UNK A   4      -4.613  -0.635  -1.242  1.00  0.00           H  
HETATM   77  H   UNK A   4      -6.719  -1.664   1.727  1.00  0.00           H  
HETATM   78  H   UNK A   4      -3.909  -3.174  -0.887  1.00  0.00           H  
HETATM   79  H   UNK A   4      -6.713  -4.123   2.162  1.00  0.00           H  
HETATM   80  H   UNK A   4      -4.970  -5.057   0.540  1.00  0.00           H  
HETATM   81  H   UNK A   5      -3.263  -6.075  -3.033  1.00  0.00           H  
HETATM   82  H   UNK A   5      -0.461  -4.054  -1.802  1.00  0.00           H  
HETATM   83  H   UNK A   5      -1.632  -2.852  -2.396  1.00  0.00           H  
HETATM   84  H   UNK A   5      -0.336  -2.210   2.045  1.00  0.00           H  
HETATM   85  H   UNK A   5      -0.724  -1.123  -0.784  1.00  0.00           H  
HETATM   86  H   UNK A   5       0.481  -2.340  -0.299  1.00  0.00           H  
HETATM   87  H   UNK A   5      -2.552  -2.617  -0.106  1.00  0.00           H  
HETATM   88  H   UNK A   5      -1.381  -3.818   0.488  1.00  0.00           H  
HETATM   89  H   UNK A   5      -2.217  -0.672   2.530  1.00  0.00           H  
CONECT    1    4    3    3   15                                       
CONECT    2    4   49   44                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   50                                       
CONECT    5    4    8   51   52                                       
CONECT    6    8    7   53   54                                       
CONECT    7    6    9   55                                            
CONECT    8    5    6   56   57                                       
CONECT    9    7   13   13   14                                       
CONECT   10   11   11   14   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   58   59   60                                       
CONECT   13    9    9   61                                            
CONECT   14    9   10   62                                            
CONECT   15   16   19    1                                            
CONECT   16   15   17   20   63                                       
CONECT   17   16   18   64   65                                       
CONECT   18   17   19   66   67                                       
CONECT   19   15   18   68   69                                       
CONECT   20   16   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   23   70   20                                            
CONECT   23   22   24   26   71                                       
CONECT   24   23   25   25   29                                       
CONECT   25   24   24                                                 
CONECT   26   23   27   72   73                                       
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   30   27   24                                            
CONECT   30   29   31   33   74                                       
CONECT   31   30   32   32   48                                       
CONECT   32   31   31                                                 
CONECT   33   30   34   75   76                                       
CONECT   34   33   35   36   36                                       
CONECT   35   34   37   37   77                                       
CONECT   36   34   34   38   78                                       
CONECT   37   35   35   38   79                                       
CONECT   38   36   37   80                                            
CONECT   39   40   40   41   43                                       
CONECT   40   39   39                                                 
CONECT   41   39   81                                                 
CONECT   42   44   44                                                 
CONECT   43   39   47   82   83                                       
CONECT   44   42   42   45    2                                       
CONECT   45   44   46   48   84                                       
CONECT   46   45   47   85   86                                       
CONECT   47   43   46   87   88                                       
CONECT   48   45   89   31                                            
CONECT   49    2                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   30                                                      
CONECT   75   33                                                      
CONECT   76   33                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   38                                                      
CONECT   81   41                                                      
CONECT   82   43                                                      
CONECT   83   43                                                      
CONECT   84   45                                                      
CONECT   85   46                                                      
CONECT   86   46                                                      
CONECT   87   47                                                      
CONECT   88   47                                                      
CONECT   89   48                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
