REMARK  Name = BDB045853
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.430  -0.275  -0.024  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.544  -1.282  -0.093  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        1.892  -0.949  -0.248  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        2.269   0.390  -0.326  0.00  0.00    +0.041 A 
ATOM      5 CL   LIG    1        3.928   0.803  -0.517  0.00  0.00    -0.084 Cl
ATOM      6  C   LIG    1        1.310   1.400  -0.244  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1       -0.041   1.069  -0.089  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  11
ATOM      8  N   LIG    1       -2.814   0.212  -0.235  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1       -3.764  -0.140  -0.229  0.00  0.00    +0.145 HD
ATOM     10  H   LIG    1       -2.617   0.990  -0.848  0.00  0.00    +0.145 HD
ATOM     11  C   LIG    1       -1.851  -0.681   0.144  0.00  0.00    +0.242 C 
ATOM     12  O   LIG    1       -2.157  -1.787   0.573  0.00  0.00    -0.270 OA
ENDBRANCH   1  11
TORSDOF 1