REMARK  Name = BDB036823
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.273  -0.024   0.348  0.00  0.00    -0.300 N 
ATOM      2  H   LIG    1       -1.231   0.990   0.293  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -0.075  -0.662   0.599  0.00  0.00    +0.245 C 
ATOM      4  O   LIG    1        0.000  -1.766   1.125  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -5.224  -0.374  -2.266  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -4.509  -0.550  -1.283  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -4.614   0.264  -0.186  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -5.264   1.030  -0.308  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -3.594   0.514   0.696  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -3.481   1.623   1.220  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -2.527  -0.575   0.857  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -2.962  -1.868   0.167  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -3.415  -1.589  -1.257  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1        1.162   0.082   0.232  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1        2.352  -0.231   0.901  0.00  0.00    +0.059 A 
ATOM     16  C   LIG    1        3.544   0.433   0.596  0.00  0.00    +0.131 A 
ATOM     17  C   LIG    1        3.539   1.415  -0.397  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        2.358   1.721  -1.080  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        1.171   1.056  -0.772  0.00  0.00    +0.013 A 
BRANCH  16  20
ATOM     20  O   LIG    1        4.620   0.030   1.333  0.00  0.00    -0.406 OA
BRANCH  20  21
ATOM     21  C   LIG    1        5.869   0.649   1.079  0.00  0.00    +0.575 C 
ATOM     22  F   LIG    1        5.812   1.976   1.320  0.00  0.00    -0.133 F 
ATOM     23  F   LIG    1        6.266   0.439  -0.195  0.00  0.00    -0.133 F 
ATOM     24  F   LIG    1        6.796   0.112   1.902  0.00  0.00    -0.133 F 
ENDBRANCH  20  21
ENDBRANCH  16  20
ENDBRANCH   3  14
TORSDOF 4