REMARK  Name = BDB056875
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.031   5.125   0.647  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -1.643   3.783   0.339  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.776   2.730   0.076  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.407   1.452  -0.315  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -0.435   0.331  -0.204  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -0.591  -1.057  -0.397  0.00  0.00    +0.100 A 
ATOM      7  N   LIG    1        0.571  -1.712  -0.287  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1        1.469  -0.758   0.041  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1        0.911   0.488   0.068  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        1.549   1.801   0.332  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        0.653   2.911  -0.257  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.867   3.651   0.338  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1       -1.835  -1.732  -0.754  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1       -3.038  -1.736   0.012  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.968  -2.493  -0.707  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1       -5.279  -2.707  -0.261  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1       -5.650  -2.138   0.960  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -4.744  -1.393   1.709  0.00  0.00    +0.001 A 
ATOM     19  N   LIG    1       -3.337  -2.945  -1.845  0.00  0.00    -0.360 N 
ATOM     20  H   LIG    1       -3.770  -3.533  -2.543  0.00  0.00    +0.165 HD
ATOM     21  C   LIG    1       -3.437  -1.190   1.251  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -2.043  -2.503  -1.877  0.00  0.00    +0.093 A 
ENDBRANCH   6  13
BRANCH   8  23
ATOM     23  C   LIG    1        2.846  -1.180   0.263  0.00  0.00    +0.112 C 
ATOM     24  C   LIG    1        3.762  -0.819  -0.909  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1        5.181  -1.284  -0.619  0.00  0.00    +0.162 C 
ATOM     26  O   LIG    1        5.641  -0.743   0.619  0.00  0.00    -0.380 OA
ATOM     27  C   LIG    1        4.866  -1.194   1.730  0.00  0.00    +0.162 C 
ATOM     28  C   LIG    1        3.430  -0.710   1.599  0.00  0.00    +0.055 C 
ENDBRANCH   8  23
TORSDOF 2