COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.893   1.779   1.073  1.00  0.00           C  
HETATM    2  N   UNL     1       0.963   0.729  -0.041  1.00  0.00           N  
HETATM    3  O   UNL     1      -1.727   1.778   1.953  1.00  0.00           O  
HETATM    4  C   UNL     1       0.406   1.038   1.294  1.00  0.00           C  
HETATM    5  C   UNL     1       1.383   2.031   1.955  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.575  -1.890  -2.165  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.704  -2.549   2.606  1.00  0.00           C  
HETATM    8  O   UNL     1       9.212  -1.035  -0.123  1.00  0.00           O  
HETATM    9  O   UNL     1       0.693  -1.691   0.357  1.00  0.00           O  
HETATM   10  O   UNL     1       1.369  -0.847  -1.897  1.00  0.00           O  
HETATM   11  C   UNL     1      -5.528   0.644  -1.171  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.555  -0.226  -1.486  1.00  0.00           C  
HETATM   13  C   UNL     1       3.467  -1.458   1.216  1.00  0.00           C  
HETATM   14  C   UNL     1       4.787  -1.609   1.569  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.135  -0.553   0.875  1.00  0.00           C  
HETATM   16  C   UNL     1       4.111  -0.651  -0.938  1.00  0.00           C  
HETATM   17  C   UNL     1       1.422   3.296   1.090  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.533   2.382  -0.623  1.00  0.00           C  
HETATM   19  C   UNL     1       1.946   2.955  -0.305  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.373   3.238  -0.109  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.318   2.410  -1.253  1.00  0.00           C  
HETATM   22  N   UNL     1       7.180  -1.377   0.864  1.00  0.00           N  
HETATM   23  O   UNL     1      -7.891  -2.114  -0.931  1.00  0.00           O  
HETATM   24  O   UNL     1      -6.485  -2.434   1.415  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.806   1.339   0.315  1.00  0.00           O  
HETATM   26  S   UNL     1       6.948  -0.499  -1.462  1.00  0.00           S  
HETATM   27  C   UNL     1      -4.817   0.482   0.008  1.00  0.00           C  
HETATM   28  C   UNL     1       3.118  -0.982  -0.037  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.880  -1.258  -0.620  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.171  -1.419   0.566  1.00  0.00           C  
HETATM   31  C   UNL     1       7.995  -1.015  -0.131  1.00  0.00           C  
HETATM   32  C   UNL     1       5.813  -1.285   0.668  1.00  0.00           C  
HETATM   33  C   UNL     1       5.441  -0.807  -0.589  1.00  0.00           C  
HETATM   34  C   UNL     1       1.081   1.879  -0.957  1.00  0.00           C  
HETATM   35  N   UNL     1      -1.152   2.429  -0.062  1.00  0.00           N  
HETATM   36  S   UNL     1       1.422  -0.801  -0.477  1.00  0.00           S  
HETATM   37  H   UNL     1       0.263   0.138   1.892  1.00  0.00           H  
HETATM   38  H   UNL     1       1.035   2.280   2.957  1.00  0.00           H  
HETATM   39  H   UNL     1       2.378   1.589   2.009  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.024  -0.897  -2.157  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.867  -1.961  -2.991  1.00  0.00           H  
HETATM   42  H   UNL     1      -9.355  -2.640  -2.290  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.658  -2.701   2.342  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.801  -1.636   3.194  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.058  -3.397   3.192  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.275   1.447  -1.847  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.105  -0.101  -2.407  1.00  0.00           H  
HETATM   48  H   UNL     1       2.693  -1.718   1.922  1.00  0.00           H  
HETATM   49  H   UNL     1       5.038  -1.982   2.552  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.581  -0.678   1.793  1.00  0.00           H  
HETATM   51  H   UNL     1       3.850  -0.279  -1.918  1.00  0.00           H  
HETATM   52  H   UNL     1       0.417   3.710   1.008  1.00  0.00           H  
HETATM   53  H   UNL     1       2.081   4.031   1.553  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.419   3.005  -0.742  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.264   1.945  -1.584  1.00  0.00           H  
HETATM   56  H   UNL     1       1.929   3.852  -0.924  1.00  0.00           H  
HETATM   57  H   UNL     1       2.970   2.592  -0.226  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.222   4.085  -0.779  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.606   3.603   0.891  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.237   3.423  -1.646  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.786   1.775  -2.005  1.00  0.00           H  
HETATM   62  H   UNL     1       7.538  -1.699   1.706  1.00  0.00           H  
HETATM   63  H   UNL     1       1.550   1.556  -1.886  1.00  0.00           H  
CONECT    1   35    3    3    4                                       
CONECT    2   36   34    4                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   37                                       
CONECT    5    4   17   38   39                                       
CONECT    6   23   40   41   42                                       
CONECT    7   24   43   44   45                                       
CONECT    8   31   31                                                 
CONECT    9   36   36                                                 
CONECT   10   36   36                                                 
CONECT   11   27   27   12   46                                       
CONECT   12   11   29   29   47                                       
CONECT   13   14   14   28   48                                       
CONECT   14   13   13   32   49                                       
CONECT   15   27   30   30   50                                       
CONECT   16   33   28   28   51                                       
CONECT   17    5   19   52   53                                       
CONECT   18   25   20   54   55                                       
CONECT   19   17   34   56   57                                       
CONECT   20   18   35   58   59                                       
CONECT   21   35   34   60   61                                       
CONECT   22   31   32   62                                            
CONECT   23    6   29                                                 
CONECT   24    7   30                                                 
CONECT   25   18   27                                                 
CONECT   26   31   33                                                 
CONECT   27   11   11   15   25                                       
CONECT   28   13   16   16   36                                       
CONECT   29   12   12   23   30                                       
CONECT   30   15   15   24   29                                       
CONECT   31    8    8   22   26                                       
CONECT   32   14   22   33   33                                       
CONECT   33   16   26   32   32                                       
CONECT   34    2   19   21   63                                       
CONECT   35    1   20   21                                            
CONECT   36    2    9    9   10                                       
CONECT   36   10   28                                                 
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   34                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
