REMARK  Name = BDB001687
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.437  -0.895  -1.155  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1       -1.599  -0.431  -0.512  0.00  0.00    -0.171 N 
ATOM      3  C   LIG    1       -2.973  -0.784  -0.710  0.00  0.00    +0.186 A 
ATOM      4  S   LIG    1       -3.624  -1.924  -1.736  0.00  0.00    -0.011 S 
ATOM      5  N   LIG    1       -3.683   0.026   0.157  0.00  0.00    -0.312 N 
ATOM      6  C   LIG    1       -5.116   0.084   0.359  0.00  0.00    +0.152 C 
ATOM      7  C   LIG    1       -2.770   0.781   0.793  0.00  0.00    +0.223 A 
ATOM      8  N   LIG    1       -1.542   0.570   0.459  0.00  0.00    -0.152 NA
ATOM      9  O   LIG    1       -0.426  -1.608  -2.158  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        4.778   0.738   0.773  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        3.432   0.294   0.283  0.00  0.00    -0.050 A 
ATOM     12  C   LIG    1        3.125   0.339  -1.082  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        1.861  -0.046  -1.536  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        0.881  -0.457  -0.625  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1        1.185  -0.513   0.740  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        2.450  -0.127   1.191  0.00  0.00    +0.004 A 
ENDBRANCH   1  14
TORSDOF 1