REMARK  Name = BDB028779
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.689   0.643   0.363  0.00  0.00    +0.138 C 
ATOM      2  C   LIG    1       -3.001   1.359   0.691  0.00  0.00    +0.233 C 
ATOM      3  O   LIG    1       -3.067   2.472   1.208  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -4.158   0.735   0.283  0.00  0.00    -0.255 N 
ATOM      5  H   LIG    1       -5.012   1.242   0.473  0.00  0.00    +0.158 HD
ATOM      6  C   LIG    1       -4.273  -0.308  -0.600  0.00  0.00    +0.219 C 
ATOM      7  O   LIG    1       -5.355  -0.606  -1.095  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -2.989  -0.996  -0.992  0.00  0.00    +0.098 C 
ATOM      9  C   LIG    1       -1.935  -0.842   0.094  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1  10
ATOM     10  S   LIG    1       -0.526   0.821   1.773  0.00  0.00    -0.112 S 
BRANCH  10  15
ATOM     11  C   LIG    1        4.761  -0.445  -0.981  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        3.445  -0.144  -0.327  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1        2.748   1.028  -0.643  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        1.539   1.327  -0.008  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        1.014   0.458   0.952  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        1.722  -0.696   1.293  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        2.930  -0.996   0.657  0.00  0.00    +0.004 A 
ENDBRANCH  10  15
ENDBRANCH   1  10
TORSDOF 2