REMARK  Name = BDB012569
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.067  -1.527  -0.020  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1        1.744  -1.059   0.112  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1        0.371  -1.448  -0.093  0.00  0.00    +0.255 C 
ATOM      4  N   LIG    1       -0.418  -0.327   0.328  0.00  0.00    -0.237 N 
ATOM      5  C   LIG    1        0.446   0.815   0.768  0.00  0.00    +0.161 C 
ATOM      6  O   LIG    1        0.012  -2.536  -0.503  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1        1.779   0.204   0.621  0.00  0.00    +0.057 A 
ATOM      8  N   LIG    1        3.060   0.576   0.839  0.00  0.00    -0.350 N 
ATOM      9  C   LIG    1        3.526   1.843   1.348  0.00  0.00    +0.148 C 
ATOM     10  C   LIG    1        3.865  -0.479   0.458  0.00  0.00    +0.099 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -1.804  -0.352   0.383  0.00  0.00    +0.150 A 
ATOM     12  N   LIG    1       -2.446  -1.356  -0.126  0.00  0.00    -0.148 NA
ATOM     13  N   LIG    1       -3.798  -1.275  -0.038  0.00  0.00    -0.190 N 
ATOM     14  C   LIG    1       -4.533  -0.255   0.526  0.00  0.00    +0.181 A 
ATOM     15  N   LIG    1       -5.817  -0.520   0.422  0.00  0.00    -0.127 NA
ATOM     16  N   LIG    1       -5.943  -1.729  -0.219  0.00  0.00    -0.126 NA
ATOM     17  C   LIG    1       -3.836   0.842   1.097  0.00  0.00    -0.001 A 
ATOM     18  C   LIG    1       -4.545   1.999   1.751  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1       -4.728  -2.174  -0.491  0.00  0.00    +0.221 A 
ATOM     20  C   LIG    1       -2.490   0.809   1.041  0.00  0.00    +0.053 A 
BRANCH  19  21
ATOM     21  C   LIG    1       -4.361  -3.426  -1.172  0.00  0.00    +0.410 C 
ATOM     22  F   LIG    1       -3.617  -4.242  -0.378  0.00  0.00    -0.200 F 
ATOM     23  F   LIG    1       -3.640  -3.203  -2.304  0.00  0.00    -0.200 F 
ENDBRANCH  19  21
ENDBRANCH   4  11
BRANCH   5  24
ATOM     24  C   LIG    1        0.287   2.065  -0.084  0.00  0.00    -0.021 A 
ATOM     25  C   LIG    1        0.276   3.330   0.530  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        0.144   4.492  -0.235  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        0.027   4.402  -1.620  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1       -0.134   5.835  -2.557  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1        0.045   3.161  -2.248  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        0.177   1.997  -1.485  0.00  0.00    +0.007 A 
ENDBRANCH   5  24
BRANCH   1  34
ATOM     31  C   LIG    1        5.300  -4.482  -0.496  0.00  0.00    +0.128 C 
ATOM     32  N   LIG    1        4.778  -3.187  -0.146  0.00  0.00    -0.314 N 
ATOM     33  H   LIG    1        5.181  -2.702   0.641  0.00  0.00    +0.149 HD
ATOM     34  C   LIG    1        3.520  -2.802  -0.566  0.00  0.00    +0.246 C 
ATOM     35  O   LIG    1        2.840  -3.476  -1.328  0.00  0.00    -0.270 OA
ENDBRANCH   1  34
TORSDOF 4