REMARK  Name = BDB031375
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.991  -1.506   0.754  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.454  -2.712   0.099  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.698  -2.364  -1.206  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.354  -1.327  -1.071  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.231  -0.148  -0.381  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        0.972  -0.447   0.948  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.924  -0.198   0.217  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.226   0.297   1.266  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        3.959  -0.163   1.399  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        3.301   0.295   2.479  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.307  -1.081   0.543  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.098  -1.559  -0.511  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.411  -1.117  -0.685  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.002   1.852   1.001  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.735   1.174   1.044  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.027   1.452   1.720  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.327   0.303   0.056  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.024  -0.043  -0.890  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.535  -1.859  -0.369  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.736  -0.947  -0.463  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.372  -0.487   0.694  0.00  0.00    +0.153 A 
ATOM     22  F   LIG    1       -2.902  -0.844   1.901  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1       -4.488   0.346   0.619  0.00  0.00    +0.102 A 
ATOM     24  N   LIG    1       -5.105   0.796   1.799  0.00  0.00    -0.317 N 
ATOM     25  H   LIG    1       -4.736   0.511   2.699  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -6.207   1.619   1.822  0.00  0.00    +0.273 A 
ATOM     27  C   LIG    1       -6.704   2.003   0.526  0.00  0.00    +0.112 A 
ATOM     28  N   LIG    1       -6.111   1.572  -0.641  0.00  0.00    -0.310 N 
ATOM     29  C   LIG    1       -6.799   2.097  -1.710  0.00  0.00    +0.092 A 
ATOM     30  C   LIG    1       -7.835   2.866  -1.224  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -7.776   2.808   0.188  0.00  0.00    +0.033 A 
ATOM     32  O   LIG    1       -6.699   1.976   2.889  0.00  0.00    -0.266 OA
ATOM     33  C   LIG    1       -4.981   0.727  -0.635  0.00  0.00    +0.073 A 
ATOM     34  C   LIG    1       -4.366   0.279  -1.805  0.00  0.00    +0.029 A 
ATOM     35  C   LIG    1       -3.248  -0.557  -1.713  0.00  0.00    +0.010 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4