COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.049  -2.552   0.157  1.00  0.00           C  
HETATM    2  C   UNL     1       1.168   2.368   0.341  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.155   2.356  -0.097  1.00  0.00           C  
HETATM    4  C   UNL     1       3.373   1.259   0.051  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.925   3.496   0.012  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.386   4.649   0.553  1.00  0.00           C  
HETATM    7  C   UNL     1       0.927   4.666   0.989  1.00  0.00           C  
HETATM    8  C   UNL     1       1.706   3.532   0.886  1.00  0.00           C  
HETATM    9  C   UNL     1       4.146   0.100  -0.043  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.945  -1.339  -0.453  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.315  -1.260  -0.289  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.950  -0.034  -0.356  1.00  0.00           C  
HETATM   13  S   UNL     1      -6.696   0.067  -0.148  1.00  0.00           S  
HETATM   14  O   UNL     1      -7.109   1.264  -0.793  1.00  0.00           O  
HETATM   15  O   UNL     1      -7.215  -1.214  -0.480  1.00  0.00           O  
HETATM   16  N   UNL     1      -6.985   0.283   1.468  1.00  0.00           N  
HETATM   17  C   UNL     1      -4.214   1.113  -0.588  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.844   1.034  -0.753  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.208  -0.191  -0.679  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.715  -0.277  -0.858  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.029  -0.127   0.501  1.00  0.00           C  
HETATM   22  N   UNL     1       1.422  -0.049   0.310  1.00  0.00           N1+
HETATM   23  C   UNL     1       1.998   1.143   0.233  1.00  0.00           C  
HETATM   24  C   UNL     1       5.615   0.179  -0.236  1.00  0.00           C  
HETATM   25  C   UNL     1       6.373  -0.986  -0.329  1.00  0.00           C  
HETATM   26  C   UNL     1       7.739  -0.906  -0.509  1.00  0.00           C  
HETATM   27  C   UNL     1       8.356   0.329  -0.597  1.00  0.00           C  
HETATM   28  C   UNL     1       7.609   1.489  -0.505  1.00  0.00           C  
HETATM   29  C   UNL     1       6.242   1.421  -0.331  1.00  0.00           C  
HETATM   30  C   UNL     1       3.503  -1.137   0.048  1.00  0.00           C  
HETATM   31  C   UNL     1       2.124  -1.171   0.229  1.00  0.00           C  
HETATM   32  C   UNL     1       1.430  -2.478   0.329  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.592  -3.770   0.251  1.00  0.00           C  
HETATM   34  C   UNL     1       0.135  -4.918   0.510  1.00  0.00           C  
HETATM   35  C   UNL     1       1.507  -4.852   0.675  1.00  0.00           C  
HETATM   36  C   UNL     1       2.156  -3.637   0.593  1.00  0.00           C  
HETATM   37  H   UNL     1      -0.520  -1.656  -0.044  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.577   1.457  -0.520  1.00  0.00           H  
HETATM   39  H   UNL     1       3.837   2.232  -0.010  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.950   3.489  -0.327  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.992   5.540   0.636  1.00  0.00           H  
HETATM   42  H   UNL     1       1.343   5.569   1.411  1.00  0.00           H  
HETATM   43  H   UNL     1       2.731   3.546   1.226  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.449  -2.297  -0.400  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.890  -2.156  -0.107  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.768   0.777   1.759  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.372  -0.084   2.124  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.710   2.072  -0.641  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.269   1.931  -0.934  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.456  -1.243  -1.291  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.382   0.520  -1.523  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.381   0.782   0.988  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.266  -0.989   1.125  1.00  0.00           H  
HETATM   54  H   UNL     1       5.892  -1.951  -0.260  1.00  0.00           H  
HETATM   55  H   UNL     1       8.327  -1.809  -0.580  1.00  0.00           H  
HETATM   56  H   UNL     1       9.426   0.387  -0.738  1.00  0.00           H  
HETATM   57  H   UNL     1       8.096   2.451  -0.574  1.00  0.00           H  
HETATM   58  H   UNL     1       5.660   2.327  -0.259  1.00  0.00           H  
HETATM   59  H   UNL     1       4.069  -2.054  -0.021  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.663  -3.828   0.123  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.370  -5.870   0.582  1.00  0.00           H  
HETATM   62  H   UNL     1       2.069  -5.752   0.877  1.00  0.00           H  
HETATM   63  H   UNL     1       3.227  -3.586   0.726  1.00  0.00           H  
CONECT    1   32   33   33   37                                       
CONECT    2    3   23    8    8                                       
CONECT    3    5    5    2   38                                       
CONECT    4    9    9   23   39                                       
CONECT    5    3    3    6   40                                       
CONECT    6    5    7    7   41                                       
CONECT    7    6    6    8   42                                       
CONECT    8    2    2    7   43                                       
CONECT    9   24    4    4   30                                       
CONECT   10   19   11   11   44                                       
CONECT   11   10   10   12   45                                       
CONECT   12   17   17   11   13                                       
CONECT   13   12   16   15   15                                       
CONECT   13   14   14                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   13   46   47                                            
CONECT   17   18   12   12   48                                       
CONECT   18   19   19   17   49                                       
CONECT   19   20   18   18   10                                       
CONECT   20   21   19   50   51                                       
CONECT   21   22   20   52   53                                       
CONECT   22   23   23   31   21                                       
CONECT   23    4    2   22   22                                       
CONECT   24   29   29   25    9                                       
CONECT   25   26   26   24   54                                       
CONECT   26   27   25   25   55                                       
CONECT   27   28   28   26   56                                       
CONECT   28   27   27   29   57                                       
CONECT   29   28   24   24   58                                       
CONECT   30    9   31   31   59                                       
CONECT   31   30   30   22   32                                       
CONECT   32   31   36   36    1                                       
CONECT   33    1    1   34   60                                       
CONECT   34   35   35   33   61                                       
CONECT   35   36   34   34   62                                       
CONECT   36   32   32   35   63                                       
CONECT   37    1                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
CONECT   59   30                                                      
CONECT   60   33                                                      
CONECT   61   34                                                      
CONECT   62   35                                                      
CONECT   63   36                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
