REMARK  Name = BDB045858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.386  -0.300  -0.304  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -0.663  -1.167   0.024  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -1.948  -0.659   0.206  0.00  0.00    +0.019 A 
ATOM      4 BR   LIG    1       -3.364  -1.827   0.659  0.00  0.00    -0.050 Br
ATOM      5  C   LIG    1       -2.200   0.704   0.055  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -1.159   1.568  -0.287  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.133   1.068  -0.470  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  11
ATOM      8  N   LIG    1        2.814  -0.043  -0.343  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1        3.722  -0.491  -0.346  0.00  0.00    +0.145 HD
ATOM     10  H   LIG    1        2.741   0.844   0.133  0.00  0.00    +0.145 HD
ATOM     11  C   LIG    1        1.743  -0.880  -0.491  0.00  0.00    +0.242 C 
ATOM     12  O   LIG    1        1.906  -2.069  -0.733  0.00  0.00    -0.270 OA
ENDBRANCH   1  11
TORSDOF 1