REMARK  Name = BDB002987
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.319  -0.104   0.056  0.00  0.00    +0.238 A 
ATOM      2  N   LIG    1        0.540  -0.947  -0.657  0.00  0.00    -0.122 NA
ATOM      3  N   LIG    1       -0.812  -0.799  -0.581  0.00  0.00    -0.122 NA
ATOM      4  C   LIG    1       -1.306   0.183   0.203  0.00  0.00    +0.238 A 
ATOM      5  N   LIG    1       -0.529   1.024   0.915  0.00  0.00    -0.122 NA
ATOM      6  N   LIG    1        0.825   0.876   0.839  0.00  0.00    -0.122 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.903  -0.824  -0.412  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1        3.565  -1.162  -0.732  0.00  0.00    +0.053 A 
ATOM      9  C   LIG    1        2.754  -0.280  -0.040  0.00  0.00    +0.175 A 
ATOM     10  O   LIG    1        3.536   0.578   0.686  0.00  0.00    -0.460 OA
ATOM     11  C   LIG    1        4.831   0.240   0.454  0.00  0.00    +0.196 A 
ENDBRANCH   1   9
BRANCH   4  12
ATOM     12  C   LIG    1       -2.748   0.321   0.268  0.00  0.00    +0.175 A 
ATOM     13  O   LIG    1       -3.242   1.319   1.066  0.00  0.00    -0.460 OA
ATOM     14  C   LIG    1       -4.596   1.271   0.982  0.00  0.00    +0.196 A 
ATOM     15  C   LIG    1       -4.991   0.258   0.142  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1       -3.801  -0.356  -0.319  0.00  0.00    +0.053 A 
ENDBRANCH   4  12
TORSDOF 2