REMARK  Name = BDB008511
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.664  -0.253   0.383  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.544  -0.394   0.954  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.637  -0.348   0.169  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -1.534  -0.203  -1.195  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -0.266  -0.072  -1.697  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1        0.836  -0.084  -0.933  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        1.737  -0.295   1.269  0.00  0.00    -0.284 N 
ATOM      8  H   LIG    1        1.378  -0.434   2.202  0.00  0.00    +0.155 HD
BRANCH   7  11
ATOM      9  C   LIG    1        5.177   0.079  -0.168  0.00  0.00    +0.061 A 
ATOM     10  C   LIG    1        3.777  -0.011  -0.097  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1        3.126  -0.198   1.128  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        3.920  -0.291   2.284  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        5.313  -0.203   2.225  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        5.942  -0.018   0.999  0.00  0.00    +0.015 A 
BRANCH   9  16
ATOM     15  O   LIG    1        7.097   0.363  -1.589  0.00  0.00    -0.245 OA
ATOM     16  C   LIG    1        5.890   0.276  -1.453  0.00  0.00    +0.337 C 
BRANCH  16  17
ATOM     17  O   LIG    1        5.065   0.356  -2.511  0.00  0.00    -0.477 OA
ATOM     18  H   LIG    1        5.669   0.482  -3.272  0.00  0.00    +0.295 HD
ENDBRANCH  16  17
ENDBRANCH   9  16
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  N   LIG    1       -2.853  -0.509   0.829  0.00  0.00    -0.298 N 
ATOM     20  H   LIG    1       -2.687  -0.736   1.807  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -4.175  -0.086   0.583  0.00  0.00    +0.051 A 
ATOM     22  C   LIG    1       -5.241  -0.677   1.296  0.00  0.00    +0.062 A 
ATOM     23 CL   LIG    1       -4.938  -1.865   2.519  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1       -6.571  -0.323   1.047  0.00  0.00    +0.022 A 
ATOM     25  C   LIG    1       -6.865   0.631   0.077  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -5.830   1.230  -0.636  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -4.500   0.872  -0.386  0.00  0.00    +0.025 A 
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 6