REMARK  Name = BDB021879
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.359  -0.788  -0.078  0.00  0.00    +0.076 C 
ATOM      2  C   LIG    1        0.646  -0.502   1.244  0.00  0.00    +0.037 C 
ATOM      3  C   LIG    1        0.435   0.994   1.472  0.00  0.00    +0.086 C 
ATOM      4  N   LIG    1       -0.160   1.709   0.350  0.00  0.00    -0.298 NA
ATOM      5  C   LIG    1        0.412   1.404  -0.954  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        0.642  -0.083  -1.229  0.00  0.00    +0.037 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        3.450  -2.358   1.004  0.00  0.00    -0.266 OA
ATOM      8  C   LIG    1        3.727  -1.235   0.581  0.00  0.00    +0.318 C 
ATOM      9  N   LIG    1        2.771  -0.419  -0.024  0.00  0.00    -0.305 N 
ATOM     10  H   LIG    1        3.027   0.554  -0.172  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1        5.142  -0.619   0.654  0.00  0.00    +0.469 C 
ATOM     12  F   LIG    1        5.667  -0.652   1.909  0.00  0.00    -0.162 F 
ATOM     13  F   LIG    1        6.030  -1.246  -0.164  0.00  0.00    -0.162 F 
ATOM     14  F   LIG    1        5.139   0.696   0.278  0.00  0.00    -0.162 F 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   4  15
ATOM     15  C   LIG    1       -1.603   1.934   0.401  0.00  0.00    +0.119 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.499   0.735   0.192  0.00  0.00    -0.033 A 
ATOM     17  C   LIG    1       -2.927  -0.037   1.285  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1       -3.762  -1.139   1.093  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1       -4.179  -1.467  -0.191  0.00  0.00    +0.123 A 
ATOM     20  F   LIG    1       -4.981  -2.524  -0.375  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1       -3.779  -0.712  -1.286  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -2.944   0.390  -1.095  0.00  0.00    +0.008 A 
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 4