REMARK  Name = BDB001871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.306  -0.305   0.546  0.00  0.00    -0.338 N 
ATOM      2  C   LIG    1       -0.008  -0.002   0.196  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1       -0.735  -1.132  -0.180  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -2.092  -1.057  -0.561  0.00  0.00    -0.034 A 
ATOM      5  C   LIG    1       -2.676   0.225  -0.574  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -1.966   1.374  -0.220  0.00  0.00    -0.048 A 
ATOM      7  C   LIG    1       -2.654   2.711  -0.217  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -2.924  -2.237  -0.989  0.00  0.00    +0.045 C 
ATOM      9  S   LIG    1        0.298  -2.515  -0.087  0.00  0.00    -0.074 S 
ATOM     10  C   LIG    1       -0.629   1.264   0.185  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        1.627  -1.585   0.442  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        2.946  -2.206   0.735  0.00  0.00    +0.071 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        2.954   1.392  -0.179  0.00  0.00    +0.027 C 
ATOM     14  C   LIG    1        2.260   0.718   0.992  0.00  0.00    +0.119 C 
ENDBRANCH   1  14
TORSDOF 1