REMARK  Name = BDB006849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.053   0.006   0.439  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        1.145   0.868   0.361  0.00  0.00    -0.270 N 
ATOM      3  C   LIG    1        2.497   0.501   0.518  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        3.315   1.623   0.402  0.00  0.00    -0.024 A 
ATOM      5  C   LIG    1        4.692   1.523   0.516  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        5.255   0.264   0.748  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        4.441  -0.874   0.867  0.00  0.00    +0.132 A 
ATOM      8  C   LIG    1        2.516   2.865   0.182  0.00  0.00    +0.056 C 
ATOM      9  C   LIG    1        3.048  -0.748   0.751  0.00  0.00    +0.069 A 
ATOM     10  C   LIG    1        1.089   2.313   0.079  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1        0.153  -1.194   0.692  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  12
ATOM     12  C   LIG    1       -1.314   0.688   0.192  0.00  0.00    +0.181 C 
BRANCH  12  19
ATOM     13  C   LIG    1       -6.209   0.093  -0.345  0.00  0.00    +0.025 C 
ATOM     14  C   LIG    1       -4.936  -0.527   0.229  0.00  0.00    +0.065 C 
ATOM     15  N   LIG    1       -4.707  -1.859  -0.380  0.00  0.00    -0.311 NA
ATOM     16  H   LIG    1       -4.245  -2.420   0.341  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1       -3.729  -1.749  -1.475  0.00  0.00    +0.096 C 
ATOM     18  C   LIG    1       -2.362  -1.177  -1.014  0.00  0.00    +0.100 C 
ATOM     19  N   LIG    1       -2.451  -0.255   0.143  0.00  0.00    -0.291 NA
ATOM     20  C   LIG    1       -3.737   0.460   0.111  0.00  0.00    +0.103 C 
ENDBRANCH  12  19
ENDBRANCH   1  12
BRANCH   7  21
ATOM     21  O   LIG    1        4.870  -2.152   1.093  0.00  0.00    -0.406 OA
BRANCH  21  22
ATOM     22  C   LIG    1        6.262  -2.372   1.227  0.00  0.00    +0.575 C 
ATOM     23  F   LIG    1        6.767  -1.686   2.275  0.00  0.00    -0.133 F 
ATOM     24  F   LIG    1        6.922  -2.021   0.101  0.00  0.00    -0.133 F 
ATOM     25  F   LIG    1        6.478  -3.688   1.445  0.00  0.00    -0.133 F 
ENDBRANCH  21  22
ENDBRANCH   7  21
TORSDOF 4