REMARK  Name = BDB025305
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.185  -0.114   0.308  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1       -0.312   1.237   0.174  0.00  0.00    +0.150 A 
ATOM      3  C   LIG    1       -1.591   1.576  -0.092  0.00  0.00    +0.065 A 
ATOM      4  S   LIG    1       -1.681   3.300  -0.242  0.00  0.00    -0.073 S 
ATOM      5  C   LIG    1        0.035   3.344   0.060  0.00  0.00    +0.158 A 
ATOM      6  C   LIG    1       -2.353   0.376  -0.151  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1       -3.706   0.081  -0.393  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -4.122  -1.253  -0.387  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -3.211  -2.278  -0.145  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -1.861  -2.006   0.099  0.00  0.00    +0.026 A 
ATOM     11  N   LIG    1        0.644   2.186   0.255  0.00  0.00    -0.230 NA
ATOM     12  C   LIG    1       -1.439  -0.666   0.096  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1  19
ATOM     13  O   LIG    1        4.463   1.364  -0.388  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        3.475   0.683  -0.121  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1        3.069   0.505   1.177  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        3.600   1.010   1.873  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        1.920  -0.100   1.629  0.00  0.00    +0.242 C 
ATOM     18  O   LIG    1        1.620  -0.055   2.822  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1        1.059  -0.812   0.596  0.00  0.00    +0.176 C 
ATOM     20  C   LIG    1        1.863  -1.162  -0.658  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        2.633   0.035  -1.194  0.00  0.00    +0.099 C 
ENDBRANCH   1  19
TORSDOF 1