REMARK  Name = BDB003262
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.199   1.065  -0.139  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.429   0.085   0.247  0.00  0.00    +0.247 C 
ATOM      3  N   LIG    1        0.157  -0.930   0.966  0.00  0.00    -0.271 N 
ATOM      4  H   LIG    1       -0.327  -1.801   1.112  0.00  0.00    +0.153 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.585  -1.007   1.070  0.00  0.00    +0.262 C 
ATOM      6  C   LIG    1        2.311   0.219   1.657  0.00  0.00    +0.222 C 
ATOM      7  O   LIG    1        2.137   0.722   2.756  0.00  0.00    -0.287 OA
ATOM      8  C   LIG    1        3.325   0.647   0.691  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        3.315  -0.186  -0.424  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        4.190   0.006  -1.479  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        5.093   1.069  -1.385  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.104   1.910  -0.255  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.212   1.702   0.802  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        2.283  -1.218  -0.288  0.00  0.00    +0.222 C 
ATOM     15  O   LIG    1        2.047  -2.065  -1.135  0.00  0.00    -0.287 OA
BRANCH   5  16
ATOM     16  O   LIG    1        1.796  -2.099   1.944  0.00  0.00    -0.359 OA
ATOM     17  H   LIG    1        1.599  -1.749   2.833  0.00  0.00    +0.213 HD
ENDBRANCH   5  16
ENDBRANCH   3   5
BRANCH   2  18
ATOM     18  C   LIG    1       -1.882  -0.041  -0.042  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1       -2.635   1.135  -0.147  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1       -4.004   1.072  -0.421  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1       -4.637  -0.166  -0.612  0.00  0.00    +0.055 A 
ATOM     22  C   LIG    1       -3.872  -1.339  -0.513  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1       -2.502  -1.280  -0.237  0.00  0.00    +0.013 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -6.120  -0.237  -0.888  0.00  0.00    +0.417 C 
ATOM     25  F   LIG    1       -6.600   0.865  -1.529  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1       -6.851  -0.355   0.254  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -6.466  -1.300  -1.666  0.00  0.00    -0.166 F 
ENDBRANCH  21  24
ENDBRANCH   2  18
TORSDOF 4