REMARK  Name = BDB036803
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.825   0.285  -0.218  0.00  0.00    -0.300 N 
ATOM      2  H   LIG    1       -0.683  -0.100  -1.148  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        0.312   0.567   0.514  0.00  0.00    +0.246 C 
ATOM      4  O   LIG    1        0.348   1.414   1.399  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -5.266  -1.444   0.169  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -4.385  -0.590   0.175  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -4.163   0.197  -0.925  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -4.728  -0.058  -1.724  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -2.957   0.769  -1.234  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -2.596   0.875  -2.406  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -2.024   1.111  -0.066  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -2.736   0.928   1.275  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -3.432  -0.422   1.333  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        1.542  -0.180   0.161  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1        2.793   0.362   0.471  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        3.960  -0.346   0.154  0.00  0.00    +0.074 A 
ATOM     17  C   LIG    1        3.815  -1.575  -0.475  0.00  0.00    +0.123 A 
ATOM     18  N   LIG    1        2.619  -2.133  -0.775  0.00  0.00    -0.262 NA
ATOM     19  C   LIG    1        1.510  -1.429  -0.442  0.00  0.00    +0.123 A 
BRANCH  16  20
ATOM     20  C   LIG    1        5.326   0.199   0.434  0.00  0.00    +0.419 C 
ATOM     21  F   LIG    1        6.240  -0.771   0.711  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        5.356   1.052   1.494  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        5.828   0.896  -0.622  0.00  0.00    -0.166 F 
ENDBRANCH  16  20
ENDBRANCH   3  14
TORSDOF 3