COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.008   1.106 -11.415  1.00  0.00           N  
HETATM    2  C   UNL     1       4.072   2.030 -11.301  1.00  0.00           C  
HETATM    3  N   UNL     1       3.100   1.946 -10.417  1.00  0.00           N  
HETATM    4  C   UNL     1       3.020   0.905  -9.595  1.00  0.00           C  
HETATM    5  C   UNL     1       3.997  -0.102  -9.672  1.00  0.00           C  
HETATM    6  C   UNL     1       5.014   0.032 -10.632  1.00  0.00           C  
HETATM    7  N   UNL     1       6.000  -0.930 -10.759  1.00  0.00           N  
HETATM    8  N   UNL     1       3.690  -1.028  -8.733  1.00  0.00           N  
HETATM    9  C   UNL     1       2.616  -0.660  -8.096  1.00  0.00           C  
HETATM   10  N   UNL     1       2.167   0.528  -8.588  1.00  0.00           N  
HETATM   11  C   UNL     1       0.986   1.265  -8.131  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.289   0.756  -8.847  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.475   1.425 -10.096  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.404   1.144  -7.841  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.023   2.372  -8.229  1.00  0.00           O  
HETATM   16  P   UNL     1      -3.589   2.060  -8.431  1.00  0.00           P  
HETATM   17  O   UNL     1      -4.161   1.563  -7.160  1.00  0.00           O  
HETATM   18  O   UNL     1      -4.352   3.408  -8.872  1.00  0.00           O  
HETATM   19  O   UNL     1      -3.771   0.942  -9.575  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.658   1.308  -6.502  1.00  0.00           C  
HETATM   21  O   UNL     1       0.724   0.991  -6.739  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.240   0.349  -5.462  1.00  0.00           C  
HETATM   23  O   UNL     1      -0.538   0.503  -4.227  1.00  0.00           O  
HETATM   24  P   UNL     1      -1.199  -0.529  -3.184  1.00  0.00           P  
HETATM   25  O   UNL     1      -2.634  -0.209  -3.015  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.047  -2.031  -3.745  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.452  -0.409  -1.762  1.00  0.00           O  
HETATM   28  P   UNL     1      -1.160  -1.464  -0.774  1.00  0.00           P  
HETATM   29  O   UNL     1      -2.596  -1.129  -0.642  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.009  -2.949  -1.375  1.00  0.00           O  
HETATM   31  O   UNL     1      -0.459  -1.397   0.673  1.00  0.00           O  
HETATM   32  C   UNL     1      -0.507  -2.337   2.899  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.128  -2.350   1.501  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.652  -0.942   3.509  1.00  0.00           C  
HETATM   35  C   UNL     1       0.976  -2.699   2.801  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.224  -3.358   3.785  1.00  0.00           C  
HETATM   37  O   UNL     1      -1.188  -4.642   3.158  1.00  0.00           O  
HETATM   38  C   UNL     1      -0.534  -3.433   5.123  1.00  0.00           C  
HETATM   39  O   UNL     1       0.158  -4.390   5.395  1.00  0.00           O  
HETATM   40  N   UNL     1      -0.688  -2.437   6.017  1.00  0.00           N  
HETATM   41  C   UNL     1      -0.002  -2.500   7.310  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.344  -1.254   8.131  1.00  0.00           C  
HETATM   43  C   UNL     1       0.361  -1.320   9.461  1.00  0.00           C  
HETATM   44  O   UNL     1       1.067  -2.269   9.726  1.00  0.00           O  
HETATM   45  N   UNL     1       0.207  -0.323  10.355  1.00  0.00           N  
HETATM   46  C   UNL     1       0.893  -0.387  11.648  1.00  0.00           C  
HETATM   47  C   UNL     1       0.551   0.858  12.468  1.00  0.00           C  
HETATM   48  S   UNL     1       1.398   0.779  14.066  1.00  0.00           S  
HETATM   49  C   UNL     1       0.860   2.248  14.760  1.00  0.00           C  
HETATM   50  O   UNL     1       0.111   2.974  14.140  1.00  0.00           O  
HETATM   51  C   UNL     1       1.315   2.640  16.142  1.00  0.00           C  
HETATM   52  C   UNL     1       0.703   3.965  16.517  1.00  0.00           C  
HETATM   53  O   UNL     1      -0.027   4.533  15.741  1.00  0.00           O  
HETATM   54  C   UNL     1       1.003   4.581  17.859  1.00  0.00           C  
HETATM   55  H   UNL     1       4.105   2.887 -11.957  1.00  0.00           H  
HETATM   56  H   UNL     1       6.697  -0.826 -11.425  1.00  0.00           H  
HETATM   57  H   UNL     1       5.993  -1.710 -10.182  1.00  0.00           H  
HETATM   58  H   UNL     1       2.150  -1.214  -7.295  1.00  0.00           H  
HETATM   59  H   UNL     1       1.117   2.335  -8.294  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.251  -0.324  -8.989  1.00  0.00           H  
HETATM   61  H   UNL     1       0.294   1.217 -10.642  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.147   0.350  -7.768  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.285   3.178  -8.982  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.386   1.305 -10.384  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.748   2.335  -6.151  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.135  -0.676  -5.814  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.295   0.575  -5.310  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.099  -2.198  -3.840  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.061  -3.127  -1.445  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.025  -3.345   1.066  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.185  -2.092   1.571  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.705  -0.736   3.700  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.097  -0.895   4.445  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.257  -0.199   2.815  1.00  0.00           H  
HETATM   75  H   UNL     1       1.079  -3.694   2.367  1.00  0.00           H  
HETATM   76  H   UNL     1       1.486  -1.972   2.170  1.00  0.00           H  
HETATM   77  H   UNL     1       1.418  -2.690   3.797  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.260  -3.052   3.927  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.255  -4.874   3.051  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.253  -1.677   5.805  1.00  0.00           H  
HETATM   81  H   UNL     1       1.074  -2.545   7.149  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.326  -3.390   7.850  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.421  -1.210   8.292  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.020  -0.364   7.591  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.357   0.435  10.142  1.00  0.00           H  
HETATM   86  H   UNL     1       1.970  -0.432  11.486  1.00  0.00           H  
HETATM   87  H   UNL     1       0.569  -1.277  12.187  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.525   0.903  12.630  1.00  0.00           H  
HETATM   89  H   UNL     1       0.875   1.748  11.929  1.00  0.00           H  
HETATM   90  H   UNL     1       2.402   2.725  16.156  1.00  0.00           H  
HETATM   91  H   UNL     1       1.001   1.879  16.858  1.00  0.00           H  
HETATM   92  H   UNL     1       0.475   5.531  17.949  1.00  0.00           H  
HETATM   93  H   UNL     1       0.675   3.907  18.650  1.00  0.00           H  
HETATM   94  H   UNL     1       2.075   4.752  17.949  1.00  0.00           H  
CONECT    1    2    6    6                                            
CONECT    2    1    3    3   55                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    5   10                                       
CONECT    5    4    4    6    8                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6   56   57                                            
CONECT    8    5    9    9                                            
CONECT    9    8    8   10   58                                       
CONECT   10    4    9   11                                            
CONECT   11   10   12   21   59                                       
CONECT   12   11   13   14   60                                       
CONECT   13   12   61                                                 
CONECT   14   12   15   20   62                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   17   18                                       
CONECT   16   19                                                      
CONECT   17   16   16                                                 
CONECT   18   16   63                                                 
CONECT   19   16   64                                                 
CONECT   20   14   21   22   65                                       
CONECT   21   11   20                                                 
CONECT   22   20   23   66   67                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   25   26                                       
CONECT   24   27                                                      
CONECT   25   24   24                                                 
CONECT   26   24   68                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   29   30                                       
CONECT   28   31                                                      
CONECT   29   28   28                                                 
CONECT   30   28   69                                                 
CONECT   31   28   33                                                 
CONECT   32   33   34   35   36                                       
CONECT   33   31   32   70   71                                       
CONECT   34   32   72   73   74                                       
CONECT   35   32   75   76   77                                       
CONECT   36   32   37   38   78                                       
CONECT   37   36   79                                                 
CONECT   38   36   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   41   80                                            
CONECT   41   40   42   81   82                                       
CONECT   42   41   43   83   84                                       
CONECT   43   42   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43   46   85                                            
CONECT   46   45   47   86   87                                       
CONECT   47   46   48   88   89                                       
CONECT   48   47   49                                                 
CONECT   49   48   50   50   51                                       
CONECT   50   49   49                                                 
CONECT   51   49   52   90   91                                       
CONECT   52   51   53   53   54                                       
CONECT   53   52   52                                                 
CONECT   54   52   92   93   94                                       
CONECT   55    2                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    9                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   26                                                      
CONECT   69   30                                                      
CONECT   70   33                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   40                                                      
CONECT   81   41                                                      
CONECT   82   41                                                      
CONECT   83   42                                                      
CONECT   84   42                                                      
CONECT   85   45                                                      
CONECT   86   46                                                      
CONECT   87   46                                                      
CONECT   88   47                                                      
CONECT   89   47                                                      
CONECT   90   51                                                      
CONECT   91   51                                                      
CONECT   92   54                                                      
CONECT   93   54                                                      
CONECT   94   54                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
