REMARK  Name = BDB045862
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.390  -0.288  -0.309  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -0.612  -1.203   0.036  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1       -1.915  -0.756   0.242  0.00  0.00    +0.042 A 
ATOM      4 CL   LIG    1       -3.146  -1.877   0.677  0.00  0.00    -0.084 Cl
ATOM      5  C   LIG    1       -2.232   0.595   0.099  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -1.239   1.507  -0.260  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.071   1.068  -0.467  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  11
ATOM      8  N   LIG    1        2.802   0.080  -0.391  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1        3.729  -0.327  -0.414  0.00  0.00    +0.145 HD
ATOM     10  H   LIG    1        2.698   0.963   0.087  0.00  0.00    +0.145 HD
ATOM     11  C   LIG    1        1.767  -0.805  -0.521  0.00  0.00    +0.242 C 
ATOM     12  O   LIG    1        1.979  -1.984  -0.770  0.00  0.00    -0.270 OA
ENDBRANCH   1  11
TORSDOF 1