REMARK  Name = BDB052550
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.607  -3.000  -0.768  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -1.302  -1.862  -0.431  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1       -2.304  -0.808  -0.218  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1       -1.834   0.448   0.165  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -2.763   1.470   0.375  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -4.131   1.235   0.204  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.584  -0.028  -0.179  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -0.469   0.723   0.346  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        0.394  -0.226   0.151  0.00  0.00    +0.141 A 
ATOM     10  C   LIG    1       -3.669  -1.058  -0.392  0.00  0.00    +0.015 A 
ATOM     11  N   LIG    1        0.004  -1.493  -0.229  0.00  0.00    -0.306 N 
ATOM     12  H   LIG    1        0.660  -2.239  -0.384  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1        1.858   0.039   0.337  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        2.252   1.331   0.723  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        3.602   1.645   0.914  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1        4.570   0.666   0.719  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1        6.231   1.045   0.952  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1        4.200  -0.620   0.336  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1        2.848  -0.936   0.144  0.00  0.00    +0.013 A 
ENDBRANCH   9  13
TORSDOF 1