REMARK  Name = BDB047896
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.468   0.499   0.365  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -1.371  -0.251  -0.109  0.00  0.00    +0.120 A 
ATOM      3  C   LIG    1       -1.625  -1.443  -0.796  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1       -0.470  -2.208  -1.289  0.00  0.00    +0.260 A 
ATOM      5  N   LIG    1        0.763  -1.686  -0.994  0.00  0.00    -0.306 N 
ATOM      6  H   LIG    1        1.539  -2.197  -1.385  0.00  0.00    +0.170 HD
ATOM      7  C   LIG    1        0.941  -0.506  -0.312  0.00  0.00    +0.142 A 
ATOM      8  O   LIG    1       -0.596  -3.244  -1.931  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1       -2.927  -1.900  -1.021  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -4.002  -1.154  -0.550  0.00  0.00    +0.004 A 
ATOM     11  N   LIG    1       -0.053   0.204   0.114  0.00  0.00    -0.225 NA
ATOM     12  C   LIG    1       -3.774   0.041   0.140  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   7  13
ATOM     13  C   LIG    1        2.342  -0.052  -0.093  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        2.583   1.322   0.063  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1        3.882   1.790   0.270  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1        4.934   0.885   0.331  0.00  0.00    +0.123 A 
ATOM     17  F   LIG    1        6.180   1.332   0.532  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        4.711  -0.481   0.195  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        3.413  -0.955  -0.014  0.00  0.00    +0.014 A 
ENDBRANCH   7  13
BRANCH   1  21
ATOM     20  C   LIG    1       -3.233   2.429   1.551  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -2.159   1.662   1.028  0.00  0.00    -0.493 OA
ENDBRANCH   1  21
TORSDOF 2