COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.551   0.827   0.222  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.430   0.740   1.476  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.865   2.150   1.896  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.544   2.911   0.754  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.697   2.907  -0.443  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.237   1.593  -0.912  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.856   3.913  -1.403  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.109   4.522  -1.612  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.927   5.350  -3.141  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.768   4.347  -2.185  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.342   6.985  -4.330  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.616   7.055  -5.333  1.00  0.00           O  
HETATM   13  N   UNL     1      -3.401   7.941  -4.101  1.00  0.00           N  
HETATM   14  S   UNL     1      -3.794   9.258  -5.125  1.00  0.00           S  
HETATM   15  C   UNL     1      -4.811   8.461  -6.331  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.224   7.925  -7.464  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.027   7.296  -8.415  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.406   7.212  -8.218  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.981   7.758  -7.071  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.177   8.387  -6.119  1.00  0.00           C  
HETATM   21  O   UNL     1      -4.646  10.185  -4.405  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.591   9.725  -5.786  1.00  0.00           O  
HETATM   23  N   UNL     1      -4.415   6.748  -9.577  1.00  0.00           N1+
HETATM   24  O   UNL     1      -5.137   6.183 -10.431  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.173   6.848  -9.710  1.00  0.00           O1-
HETATM   26  N   UNL     1      -7.241   6.580  -9.167  1.00  0.00           N  
HETATM   27  C   UNL     1      -8.051   5.446  -8.851  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.351   4.599  -7.768  1.00  0.00           C  
HETATM   29  S   UNL     1      -8.241   3.087  -7.270  1.00  0.00           S  
HETATM   30  C   UNL     1      -7.383   1.270  -5.380  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.112   2.465  -6.064  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.926   3.157  -5.771  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.035   2.666  -4.818  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.317   1.477  -4.145  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.492   0.779  -4.426  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.197   4.601 -10.127  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.440   5.933  -8.417  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.268   5.525  -2.568  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.177   5.939  -3.333  1.00  0.00           C  
HETATM   40  O   UNL     1      -2.587  -0.038   1.162  1.00  0.00           O  
HETATM   41  C   UNL     1      -3.446  -0.158   2.284  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.684   0.038   2.610  1.00  0.00           C  
HETATM   43  C   UNL     1       0.440  -3.947   1.523  1.00  0.00           C  
HETATM   44  C   UNL     1      -0.791  -3.712   2.134  1.00  0.00           C  
HETATM   45  C   UNL     1      -1.158  -2.414   2.488  1.00  0.00           C  
HETATM   46  C   UNL     1      -0.289  -1.362   2.229  1.00  0.00           C  
HETATM   47  C   UNL     1       0.940  -1.586   1.621  1.00  0.00           C  
HETATM   48  C   UNL     1       1.306  -2.884   1.267  1.00  0.00           C  
HETATM   49  H   UNL     1      -0.307  -0.180  -0.139  1.00  0.00           H  
HETATM   50  H   UNL     1       0.396   1.325   0.470  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.990   2.719   2.235  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.566   2.093   2.737  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.517   2.464   0.517  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.731   3.941   1.083  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.519   1.711  -1.733  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.089   1.023  -1.303  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.965   4.206  -1.023  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.071   5.665  -3.732  1.00  0.00           H  
HETATM   59  H   UNL     1       0.209   3.893  -2.044  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.966   7.821  -3.252  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.148   7.993  -7.614  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.054   7.699  -6.906  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.636   8.808  -5.229  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.246   6.964 -10.092  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.359   4.289  -8.118  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.203   5.193  -6.859  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.294   0.712  -5.585  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.689   4.086  -6.285  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.120   3.210  -4.599  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.623   1.095  -3.402  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.711  -0.146  -3.902  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.827   3.723  -9.950  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.649   5.183 -10.939  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.222   4.250 -10.485  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.390   6.629  -7.572  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.080   5.093  -8.127  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.941   6.469  -9.232  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.246   5.978  -2.709  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.897   0.098   3.193  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.822  -1.182   2.348  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.287   0.529   2.162  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.317   0.018   3.503  1.00  0.00           H  
HETATM   83  H   UNL     1       0.205   0.619   2.874  1.00  0.00           H  
HETATM   84  H   UNL     1       0.726  -4.958   1.247  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.465  -4.540   2.333  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.120  -2.240   2.963  1.00  0.00           H  
HETATM   87  H   UNL     1       1.621  -0.763   1.418  1.00  0.00           H  
HETATM   88  H   UNL     1       2.265  -3.067   0.791  1.00  0.00           H  
CONECT    1    2    6   49   50                                       
CONECT    2    1   42    3   40                                       
CONECT    3    2    4   51   52                                       
CONECT    4    3    5   53   54                                       
CONECT    5    4    7    6                                            
CONECT    6    1    5   55   56                                       
CONECT    7    5    8   10   10                                       
CONECT    8    7   38   38   57                                       
CONECT    9   39   39   10   58                                       
CONECT   10    7    7    9   59                                       
CONECT   11   13   39   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   60                                            
CONECT   14   13   15   22   22                                       
CONECT   14   21   21                                                 
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   61                                       
CONECT   17   16   23   18   18                                       
CONECT   18   17   17   26   19                                       
CONECT   19   18   20   20   62                                       
CONECT   20   15   19   19   63                                       
CONECT   21   14   14                                                 
CONECT   22   14   14                                                 
CONECT   23   17   25   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   23                                                      
CONECT   26   18   27   64                                            
CONECT   27   26   37   36   28                                       
CONECT   28   27   29   65   66                                       
CONECT   29   28   31                                                 
CONECT   30   31   31   35   67                                       
CONECT   31   29   30   30   32                                       
CONECT   32   31   33   33   68                                       
CONECT   33   32   32   34   69                                       
CONECT   34   33   35   35   70                                       
CONECT   35   30   34   34   71                                       
CONECT   36   27   72   73   74                                       
CONECT   37   27   75   76   77                                       
CONECT   38    8    8   39   78                                       
CONECT   39    9    9   11   38                                       
CONECT   40    2   41                                                 
CONECT   41   40   79   80   81                                       
CONECT   42    2   46   82   83                                       
CONECT   43   44   48   48   84                                       
CONECT   44   43   45   45   85                                       
CONECT   45   44   44   46   86                                       
CONECT   46   42   45   47   47                                       
CONECT   47   46   46   48   87                                       
CONECT   48   43   43   47   88                                       
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    4                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   13                                                      
CONECT   61   16                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   26                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   30                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   41                                                      
CONECT   80   41                                                      
CONECT   81   41                                                      
CONECT   82   42                                                      
CONECT   83   42                                                      
CONECT   84   43                                                      
CONECT   85   44                                                      
CONECT   86   45                                                      
CONECT   87   47                                                      
CONECT   88   48                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
