REMARK  Name = BDB021880
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.705  -0.509  -0.250  0.00  0.00    +0.076 C 
ATOM      2  C   LIG    1        1.451  -0.937   1.203  0.00  0.00    +0.037 C 
ATOM      3  C   LIG    1       -0.010  -0.721   1.588  0.00  0.00    +0.086 C 
ATOM      4  N   LIG    1       -0.357   0.698   1.528  0.00  0.00    -0.298 NA
ATOM      5  C   LIG    1        0.250   1.450   0.431  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        0.719   0.567  -0.723  0.00  0.00    +0.037 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        3.952  -2.185  -0.602  0.00  0.00    -0.266 OA
ATOM      8  C   LIG    1        4.142  -0.971  -0.517  0.00  0.00    +0.318 C 
ATOM      9  N   LIG    1        3.086  -0.065  -0.416  0.00  0.00    -0.305 N 
ATOM     10  H   LIG    1        3.323   0.886  -0.144  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1        5.544  -0.321  -0.537  0.00  0.00    +0.469 C 
ATOM     12  F   LIG    1        5.486   1.010  -0.227  0.00  0.00    -0.162 F 
ATOM     13  F   LIG    1        6.399  -0.882   0.361  0.00  0.00    -0.162 F 
ATOM     14  F   LIG    1        6.141  -0.401  -1.757  0.00  0.00    -0.162 F 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   4  15
ATOM     15  C   LIG    1       -1.767   0.995   1.796  0.00  0.00    +0.119 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.763   0.504   0.766  0.00  0.00    -0.031 A 
ATOM     17  C   LIG    1       -3.354  -0.762   0.896  0.00  0.00    +0.043 A 
ATOM     18  C   LIG    1       -4.266  -1.209  -0.056  0.00  0.00    +0.124 A 
ATOM     19  F   LIG    1       -4.816  -2.423   0.081  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -4.614  -0.418  -1.143  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1       -4.044   0.845  -1.280  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -3.126   1.304  -0.330  0.00  0.00    +0.005 A 
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 4