REMARK  Name = BDB018712
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.550  -0.854  -0.102  0.00  0.00    -0.265 N 
ATOM      2  C   LIG    1       -3.323  -0.598   0.722  0.00  0.00    +0.174 C 
ATOM      3  C   LIG    1       -2.815   0.802   0.311  0.00  0.00    +0.205 C 
ATOM      4  C   LIG    1       -2.224   1.493   1.553  0.00  0.00    +0.263 C 
ATOM      5  O   LIG    1       -2.879   2.114   2.384  0.00  0.00    -0.271 OA
ATOM      6  N   LIG    1       -0.881   1.282   1.737  0.00  0.00    -0.278 N 
ATOM      7  H   LIG    1       -0.466   1.639   2.589  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -0.098   0.723   0.725  0.00  0.00    +0.096 A 
ATOM      9  C   LIG    1       -0.647   0.432  -0.522  0.00  0.00    +0.238 A 
ATOM     10  N   LIG    1        0.066  -0.079  -1.540  0.00  0.00    -0.219 NA
ATOM     11  C   LIG    1        1.379  -0.318  -1.304  0.00  0.00    +0.123 A 
ATOM     12  C   LIG    1        2.035  -0.066  -0.095  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        1.256   0.477   0.937  0.00  0.00    +0.038 A 
ATOM     14  O   LIG    1       -1.956   0.696  -0.826  0.00  0.00    -0.457 OA
ATOM     15  C   LIG    1       -4.105   1.481  -0.150  0.00  0.00    +0.079 C 
ATOM     16  C   LIG    1       -4.836   0.371  -0.890  0.00  0.00    +0.121 C 
ENDROOT
BRANCH  12  17
ATOM     17  C   LIG    1        3.466  -0.353   0.085  0.00  0.00    -0.014 A 
ATOM     18  C   LIG    1        4.343   0.622   0.586  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        5.696   0.336   0.752  0.00  0.00    +0.124 A 
ATOM     20  F   LIG    1        6.512   1.284   1.231  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        6.211  -0.912   0.430  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        5.360  -1.893  -0.068  0.00  0.00    +0.003 A 
ATOM     23  C   LIG    1        3.999  -1.615  -0.239  0.00  0.00    +0.009 A 
ENDBRANCH  12  17
BRANCH   1  25
ATOM     24  N   LIG    1       -5.350  -3.136  -0.721  0.00  0.00    -0.174 NA
ATOM     25  C   LIG    1       -4.982  -2.076  -0.436  0.00  0.00    +0.169 C 
ENDBRANCH   1  25
TORSDOF 2