REMARK  Name = BDB001622
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.696  -2.065   0.398  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1       -0.220  -1.117  -0.023  0.00  0.00    -0.170 N 
ATOM      3  C   LIG    1       -1.531  -1.244  -0.524  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -1.964  -2.372  -0.750  0.00  0.00    -0.265 OA
ATOM      5  N   LIG    1        0.357   0.119   0.062  0.00  0.00    -0.138 NA
ATOM      6  C   LIG    1        1.584  -0.162   0.516  0.00  0.00    +0.218 A 
ATOM      7  N   LIG    1        1.823  -1.487   0.740  0.00  0.00    -0.198 NA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -2.437  -0.100  -0.834  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1       -3.319  -0.228  -1.918  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -4.203   0.807  -2.236  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -4.215   1.967  -1.464  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -5.301   3.242  -1.853  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -3.356   2.097  -0.373  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1       -2.471   1.062  -0.053  0.00  0.00    +0.015 A 
ENDBRANCH   3   8
BRANCH   6  15
ATOM     15  C   LIG    1        2.662   0.939   0.779  0.00  0.00    +0.173 A 
ATOM     16  O   LIG    1        3.923   0.699   1.250  0.00  0.00    -0.460 OA
ATOM     17  C   LIG    1        4.554   1.898   1.344  0.00  0.00    +0.196 A 
ATOM     18  C   LIG    1        3.721   2.914   0.941  0.00  0.00    +0.042 A 
ATOM     19  C   LIG    1        2.499   2.297   0.576  0.00  0.00    +0.053 A 
ENDBRANCH   6  15
BRANCH   1  21
ATOM     20  C   LIG    1        2.015  -4.359   1.071  0.00  0.00    +0.093 C 
ATOM     21  S   LIG    1        0.405  -3.770   0.505  0.00  0.00    -0.089 S 
ENDBRANCH   1  21
TORSDOF 3