REMARK  Name = BDB057882
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.395   0.945   0.154  0.00  0.00    -0.245 N 
ATOM      2  N   LIG    1       -0.787   0.928  -1.131  0.00  0.00    -0.065 NA
ATOM      3  N   LIG    1       -2.062   0.560  -1.153  0.00  0.00    -0.128 NA
ATOM      4  C   LIG    1       -2.478   0.385   0.144  0.00  0.00    +0.131 A 
ATOM      5  C   LIG    1       -1.425   0.647   0.994  0.00  0.00    +0.140 A 
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1        3.988  -0.130   0.692  0.00  0.00    +0.216 C 
ATOM      7  N   LIG    1        2.816   0.583   0.672  0.00  0.00    -0.297 N 
ATOM      8  C   LIG    1        1.638   0.350   1.495  0.00  0.00    +0.136 C 
ATOM      9  C   LIG    1        0.936   1.376   0.590  0.00  0.00    +0.143 C 
ATOM     10  C   LIG    1        2.045   1.110  -0.445  0.00  0.00    +0.136 C 
ATOM     11  O   LIG    1        4.299  -0.848   1.638  0.00  0.00    -0.276 OA
BRANCH   6  12
ATOM     12  C   LIG    1        4.857   0.053  -0.540  0.00  0.00    +0.096 C 
BRANCH  12  14
ATOM     13  C   LIG    1        7.055  -0.470  -1.653  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1        6.194  -0.673  -0.416  0.00  0.00    +0.006 C 
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   4  15
ATOM     15  C   LIG    1       -3.820  -0.004   0.536  0.00  0.00    +0.093 A 
ATOM     16  N   LIG    1       -4.052  -0.125   1.869  0.00  0.00    -0.253 NA
ATOM     17  C   LIG    1       -5.293  -0.487   2.259  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1       -6.327  -0.738   1.380  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1       -6.071  -0.609   0.015  0.00  0.00    +0.062 A 
ATOM     20  C   LIG    1       -4.798  -0.236  -0.420  0.00  0.00    +0.045 A 
BRANCH  19  21
ATOM     21  C   LIG    1       -7.177  -0.876  -0.930  0.00  0.00    +0.337 C 
ATOM     22  O   LIG    1       -8.308  -1.202  -0.622  0.00  0.00    -0.245 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -6.813  -0.723  -2.214  0.00  0.00    -0.477 OA
ATOM     24  H   LIG    1       -7.625  -0.928  -2.723  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH   4  15
TORSDOF 6