REMARK  Name = BDB056528
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.111   2.295  -0.240  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1       -4.853   1.816   0.249  0.00  0.00    +0.147 HD
ATOM      3  H   LIG    1       -4.182   3.303  -0.292  0.00  0.00    +0.147 HD
ATOM      4  C   LIG    1       -2.838   1.799  -0.348  0.00  0.00    +0.317 C 
ATOM      5  N   LIG    1       -2.736   0.407  -0.114  0.00  0.00    -0.255 N 
ATOM      6  C   LIG    1       -1.549  -0.317  -0.012  0.00  0.00    +0.149 A 
ATOM      7  C   LIG    1       -1.860  -1.648   0.251  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1       -0.797  -2.546   0.413  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        0.502  -2.046   0.295  0.00  0.00    +0.029 A 
ATOM     10  C   LIG    1        0.714  -0.695   0.014  0.00  0.00    +0.076 A 
ATOM     11  C   LIG    1       -3.267  -1.756   0.287  0.00  0.00    +0.030 A 
ATOM     12  N   LIG    1       -0.303   0.187  -0.128  0.00  0.00    -0.228 NA
ATOM     13  C   LIG    1       -3.782  -0.502   0.048  0.00  0.00    +0.098 A 
ATOM     14  O   LIG    1       -1.872   2.502  -0.601  0.00  0.00    -0.249 OA
ENDROOT
BRANCH  10  15
ATOM     15  C   LIG    1        2.065  -0.103  -0.123  0.00  0.00    +0.036 A 
ATOM     16  C   LIG    1        3.180  -0.828  -0.573  0.00  0.00    +0.133 A 
ATOM     17  F   LIG    1        3.065  -2.118  -0.927  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        4.446  -0.247  -0.691  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        4.631   1.093  -0.366  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        3.547   1.847   0.071  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        2.283   1.256   0.187  0.00  0.00    +0.013 A 
ENDBRANCH  10  15
TORSDOF 1