REMARK  Name = BDB001820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.683   2.377  -1.677  0.00  0.00    -0.251 N 
ATOM      2  H   LIG    1        0.722   3.235  -2.216  0.00  0.00    +0.158 HD
ATOM      3  C   LIG    1        1.707   1.494  -1.910  0.00  0.00    +0.250 C 
ATOM      4  O   LIG    1        2.493   1.667  -2.838  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.929   0.337  -1.022  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        1.990  -0.944  -1.584  0.00  0.00    +0.016 A 
ATOM      7  C   LIG    1        2.200  -2.048  -0.757  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1        2.364  -1.860   0.613  0.00  0.00    +0.123 A 
ATOM      9  F   LIG    1        2.561  -2.922   1.403  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        2.332  -0.586   1.174  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        2.123   0.523   0.354  0.00  0.00    +0.016 A 
ENDBRANCH   3   5
BRANCH   1  15
ATOM     12  C   LIG    1       -2.107   1.389   0.260  0.00  0.00    +0.240 A 
ATOM     13  N   LIG    1       -0.916   1.077  -0.344  0.00  0.00    -0.304 N 
ATOM     14  H   LIG    1       -0.502   0.159  -0.348  0.00  0.00    +0.170 HD
ATOM     15  C   LIG    1       -0.461   2.218  -0.940  0.00  0.00    +0.221 A 
ATOM     16  N   LIG    1       -1.348   3.168  -0.746  0.00  0.00    -0.113 NA
ATOM     17  N   LIG    1       -2.372   2.658   0.021  0.00  0.00    -0.121 NA
BRANCH  12  18
ATOM     18  C   LIG    1       -2.938   0.493   1.020  0.00  0.00    +0.377 C 
ATOM     19  O   LIG    1       -4.004   0.756   1.562  0.00  0.00    -0.241 OA
BRANCH  18  21
ATOM     20  C   LIG    1       -3.081  -1.716   1.792  0.00  0.00    +0.280 C 
ATOM     21  O   LIG    1       -2.342  -0.740   1.054  0.00  0.00    -0.462 OA
ENDBRANCH  18  21
ENDBRANCH  12  18
ENDBRANCH   1  15
TORSDOF 4