REMARK  Name = BDB056965
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.794   1.081  -1.539  0.00  0.00    -0.262 OA
ATOM      2  C   LIG    1        1.012   0.287  -0.622  0.00  0.00    +0.316 C 
ATOM      3  N   LIG    1       -0.111  -0.095   0.146  0.00  0.00    -0.173 N 
ATOM      4  C   LIG    1       -1.438   0.302   0.013  0.00  0.00    +0.098 A 
ATOM      5  C   LIG    1       -2.090  -0.385   1.030  0.00  0.00    +0.113 A 
ATOM      6  C   LIG    1       -3.473  -0.227   1.206  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -4.166   0.628   0.342  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -3.496   1.311  -0.675  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1       -1.196  -1.144   1.723  0.00  0.00    -0.129 NA
ATOM     10  C   LIG    1       -2.116   1.163  -0.863  0.00  0.00    +0.030 A 
ATOM     11  N   LIG    1        0.001  -0.965   1.184  0.00  0.00    -0.057 NA
ENDROOT
BRANCH   2  12
ATOM     12  C   LIG    1        2.362  -0.201  -0.384  0.00  0.00    +0.195 A 
ATOM     13  O   LIG    1        2.633  -1.082   0.625  0.00  0.00    -0.443 OA
ATOM     14  C   LIG    1        3.964  -1.349   0.596  0.00  0.00    +0.171 A 
ATOM     15 BR   LIG    1        4.849  -2.523   1.801  0.00  0.00    -0.008 Br
ATOM     16  C   LIG    1        4.568  -0.650  -0.422  0.00  0.00    +0.058 A 
ATOM     17  C   LIG    1        3.539   0.089  -1.054  0.00  0.00    +0.056 A 
ENDBRANCH   2  12
TORSDOF 1