COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0       5.706   0.136  -0.374  1.00  0.00           C  
HETATM    2  C   UNK A   0       4.387   0.814  -0.641  1.00  0.00           C  
HETATM    3  C   UNK A   1       0.880   0.184   0.177  1.00  0.00           C  
HETATM    4  C   UNK A   1      -2.774   0.217   0.284  1.00  0.00           C  
HETATM    5  C   UNK A   1      -5.193  -0.073   0.239  1.00  0.00           C  
HETATM    6  C   UNK A   1      -5.661  -2.508   0.208  1.00  0.00           C  
HETATM    7  C   UNK A   1      -4.762  -4.959  -0.699  1.00  0.00           C  
HETATM    8  C   UNK A   1      -4.272  -6.296  -1.194  1.00  0.00           C  
HETATM    9  C   UNK A   1      -6.073  -2.982  -1.023  1.00  0.00           C  
HETATM   10  C   UNK A   1      -4.861   2.397   0.062  1.00  0.00           C  
HETATM   11  C   UNK A   1      -4.335   5.149  -0.238  1.00  0.00           C  
HETATM   12  C   UNK A   1      -4.796  -3.257   0.984  1.00  0.00           C  
HETATM   13  C   UNK A   1      -4.346  -4.483   0.530  1.00  0.00           C  
HETATM   14  N   UNK A   1      -5.192  -7.351  -0.749  1.00  0.00           N  
HETATM   15  C   UNK A   1      -5.619  -4.206  -1.479  1.00  0.00           C  
HETATM   16  C   UNK A   1      -6.151  -1.171   0.703  1.00  0.00           C  
HETATM   17  C   UNK A   1      -5.754   1.294   0.634  1.00  0.00           C  
HETATM   18  S   UNK A   1      -5.527   4.018   0.530  1.00  0.00           S  
HETATM   19  O   UNK A   1      -6.787   4.190  -0.103  1.00  0.00           O  
HETATM   20  O   UNK A   1      -5.436   4.155   1.942  1.00  0.00           O  
HETATM   21  N   UNK A   1      -3.886  -0.266   0.873  1.00  0.00           N  
HETATM   22  O   UNK A   1      -2.855   0.811  -0.770  1.00  0.00           O  
HETATM   23  C   UNK A   1      -1.430   0.019   0.936  1.00  0.00           C  
HETATM   24  C   UNK A   1      -1.431   0.676   2.318  1.00  0.00           C  
HETATM   25  O   UNK A   1      -1.807   2.049   2.192  1.00  0.00           O  
HETATM   26  N   UNK A   1      -0.389   0.631   0.106  1.00  0.00           N  
HETATM   27  O   UNK A   1       1.161  -0.725   0.929  1.00  0.00           O  
HETATM   28  C   UNK A   1       1.950   0.813  -0.677  1.00  0.00           C  
HETATM   29  C   UNK A   1       1.584   0.652  -2.154  1.00  0.00           C  
HETATM   30  C   UNK A   1       2.605   1.398  -3.016  1.00  0.00           C  
HETATM   31  C   UNK A   1       2.312   1.135  -4.495  1.00  0.00           C  
HETATM   32  C   UNK A   1       2.508   2.899  -2.737  1.00  0.00           C  
HETATM   33  N   UNK A   1       3.233   0.154  -0.417  1.00  0.00           N  
HETATM   34  O   UNK A   0       4.363   1.952  -1.058  1.00  0.00           O  
HETATM   35  N   UNK A   0       6.767   0.825  -1.113  1.00  0.00           N  
HETATM   36  N   UNK A   0       7.813   0.414  -1.107  1.00  0.00           N1+
HETATM   37  N   UNK A   0       8.859   0.003  -1.102  1.00  0.00           N1-
HETATM   38  C   UNK A   0       6.012   0.189   1.125  1.00  0.00           C  
HETATM   39  C   UNK A   0       7.268  -0.594   1.409  1.00  0.00           C  
HETATM   40  C   UNK A   0       8.498   0.036   1.371  1.00  0.00           C  
HETATM   41  C   UNK A   0       9.650  -0.682   1.631  1.00  0.00           C  
HETATM   42  C   UNK A   0       9.572  -2.030   1.929  1.00  0.00           C  
HETATM   43  C   UNK A   0       8.342  -2.659   1.967  1.00  0.00           C  
HETATM   44  C   UNK A   0       7.189  -1.940   1.713  1.00  0.00           C  
HETATM   45  H   UNK A   0       5.653  -0.903  -0.697  1.00  0.00           H  
HETATM   46  H   UNK A   1      -5.082  -0.121  -0.844  1.00  0.00           H  
HETATM   47  H   UNK A   1      -4.229  -6.287  -2.283  1.00  0.00           H  
HETATM   48  H   UNK A   1      -3.276  -6.489  -0.794  1.00  0.00           H  
HETATM   49  H   UNK A   1      -6.749  -2.397  -1.628  1.00  0.00           H  
HETATM   50  H   UNK A   1      -3.852   2.290   0.461  1.00  0.00           H  
HETATM   51  H   UNK A   1      -4.833   2.315  -1.024  1.00  0.00           H  
HETATM   52  H   UNK A   1      -4.323   4.986  -1.316  1.00  0.00           H  
HETATM   53  H   UNK A   1      -4.624   6.179  -0.030  1.00  0.00           H  
HETATM   54  H   UNK A   1      -3.341   4.961   0.169  1.00  0.00           H  
HETATM   55  H   UNK A   1      -4.470  -2.884   1.944  1.00  0.00           H  
HETATM   56  H   UNK A   1      -3.676  -5.071   1.139  1.00  0.00           H  
HETATM   57  H   UNK A   1      -4.884  -8.257  -1.068  1.00  0.00           H  
HETATM   58  H   UNK A   1      -5.298  -7.338   0.255  1.00  0.00           H  
HETATM   59  H   UNK A   1      -5.944  -4.578  -2.439  1.00  0.00           H  
HETATM   60  H   UNK A   1      -6.194  -1.181   1.793  1.00  0.00           H  
HETATM   61  H   UNK A   1      -7.147  -0.978   0.303  1.00  0.00           H  
HETATM   62  H   UNK A   1      -6.763   1.401   0.236  1.00  0.00           H  
HETATM   63  H   UNK A   1      -5.782   1.376   1.720  1.00  0.00           H  
HETATM   64  H   UNK A   1      -3.821  -0.740   1.716  1.00  0.00           H  
HETATM   65  H   UNK A   1      -1.230  -1.047   1.041  1.00  0.00           H  
HETATM   66  H   UNK A   1      -2.143   0.162   2.964  1.00  0.00           H  
HETATM   67  H   UNK A   1      -0.434   0.611   2.753  1.00  0.00           H  
HETATM   68  H   UNK A   1      -1.829   2.529   3.031  1.00  0.00           H  
HETATM   69  H   UNK A   1      -0.614   1.358  -0.495  1.00  0.00           H  
HETATM   70  H   UNK A   1       2.031   1.873  -0.436  1.00  0.00           H  
HETATM   71  H   UNK A   1       1.591  -0.406  -2.416  1.00  0.00           H  
HETATM   72  H   UNK A   1       0.590   1.064  -2.329  1.00  0.00           H  
HETATM   73  H   UNK A   1       3.608   1.047  -2.776  1.00  0.00           H  
HETATM   74  H   UNK A   1       3.039   1.666  -5.109  1.00  0.00           H  
HETATM   75  H   UNK A   1       2.381   0.065  -4.694  1.00  0.00           H  
HETATM   76  H   UNK A   1       1.308   1.485  -4.734  1.00  0.00           H  
HETATM   77  H   UNK A   1       2.717   3.087  -1.683  1.00  0.00           H  
HETATM   78  H   UNK A   1       3.235   3.430  -3.351  1.00  0.00           H  
HETATM   79  H   UNK A   1       1.504   3.250  -2.976  1.00  0.00           H  
HETATM   80  H   UNK A   1       3.251  -0.756  -0.083  1.00  0.00           H  
HETATM   81  H   UNK A   0       6.153   1.226   1.431  1.00  0.00           H  
HETATM   82  H   UNK A   0       5.180  -0.244   1.681  1.00  0.00           H  
HETATM   83  H   UNK A   0       8.559   1.089   1.138  1.00  0.00           H  
HETATM   84  H   UNK A   0      10.611  -0.191   1.601  1.00  0.00           H  
HETATM   85  H   UNK A   0      10.472  -2.591   2.132  1.00  0.00           H  
HETATM   86  H   UNK A   0       8.281  -3.711   2.204  1.00  0.00           H  
HETATM   87  H   UNK A   0       6.228  -2.432   1.742  1.00  0.00           H  
CONECT    1   35    2   38   45                                       
CONECT    2    1   34   34   33                                       
CONECT    3   28   27   27   26                                       
CONECT    4   23   22   22   21                                       
CONECT    5   21   17   16   46                                       
CONECT    6    9    9   12   16                                       
CONECT    7    8   15   15   13                                       
CONECT    8    7   14   47   48                                       
CONECT    9   15    6    6   49                                       
CONECT   10   17   18   50   51                                       
CONECT   11   18   52   53   54                                       
CONECT   12   13   13    6   55                                       
CONECT   13    7   12   12   56                                       
CONECT   14    8   57   58                                            
CONECT   15    7    7    9   59                                       
CONECT   16    5    6   60   61                                       
CONECT   17    5   10   62   63                                       
CONECT   18   11   19   19   10                                       
CONECT   18   20   20                                                 
CONECT   19   18   18                                                 
CONECT   20   18   18                                                 
CONECT   21    4    5   64                                            
CONECT   22    4    4                                                 
CONECT   23   26   24    4   65                                       
CONECT   24   23   25   66   67                                       
CONECT   25   24   68                                                 
CONECT   26    3   23   69                                            
CONECT   27    3    3                                                 
CONECT   28   33   29    3   70                                       
CONECT   29   30   28   71   72                                       
CONECT   30   31   32   29   73                                       
CONECT   31   30   74   75   76                                       
CONECT   32   30   77   78   79                                       
CONECT   33    2   28   80                                            
CONECT   34    2    2                                                 
CONECT   35   36   36    1                                            
CONECT   36   37   37   35   35                                       
CONECT   37   36   36                                                 
CONECT   38    1   39   81   82                                       
CONECT   39   44   38   40   40                                       
CONECT   40   39   39   41   83                                       
CONECT   41   42   42   40   84                                       
CONECT   42   43   41   41   85                                       
CONECT   43   44   44   42   86                                       
CONECT   44   43   43   39   87                                       
CONECT   45    1                                                      
CONECT   46    5                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   21                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   38                                                      
CONECT   82   38                                                      
CONECT   83   40                                                      
CONECT   84   41                                                      
CONECT   85   42                                                      
CONECT   86   43                                                      
CONECT   87   44                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
