REMARK  Name = BDB002683
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.255  -0.126   1.880  0.00  0.00    +0.366 C 
ATOM      2  O   LIG    1        0.542  -0.173   3.067  0.00  0.00    -0.243 OA
ENDROOT
BRANCH   1   7
ATOM      3  C   LIG    1       -3.490   0.340   1.976  0.00  0.00    +0.166 A 
ATOM      4  C   LIG    1       -3.832   0.170   0.621  0.00  0.00    +0.204 A 
ATOM      5  C   LIG    1       -2.836  -0.038  -0.344  0.00  0.00    +0.166 A 
ATOM      6  C   LIG    1       -1.504  -0.160   0.056  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -1.152  -0.014   1.403  0.00  0.00    +0.068 A 
ATOM      8  C   LIG    1       -2.150   0.240   2.358  0.00  0.00    +0.064 A 
BRANCH   3  10
ATOM      9  C   LIG    1       -4.212   0.838   4.199  0.00  0.00    +0.277 C 
ATOM     10  O   LIG    1       -4.531   0.582   2.837  0.00  0.00    -0.491 OA
ENDBRANCH   3  10
BRANCH   4  11
ATOM     11  O   LIG    1       -5.153   0.240   0.247  0.00  0.00    -0.488 OA
ATOM     12  C   LIG    1       -5.772  -1.037   0.410  0.00  0.00    +0.277 C 
ENDBRANCH   4  11
BRANCH   5  13
ATOM     13  O   LIG    1       -3.039  -0.201  -1.690  0.00  0.00    -0.491 OA
ATOM     14  C   LIG    1       -3.994   0.689  -2.266  0.00  0.00    +0.277 C 
ENDBRANCH   5  13
ENDBRANCH   1   7
BRANCH   1  15
ATOM     15  O   LIG    1        1.104  -0.141   0.810  0.00  0.00    -0.311 OA
BRANCH  15  16
ATOM     16  N   LIG    1        2.434  -0.267   1.248  0.00  0.00    -0.074 NA
ATOM     17  C   LIG    1        3.285  -0.211   0.271  0.00  0.00    +0.104 C 
ATOM     18  C   LIG    1        4.722  -0.343   0.607  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        5.691  -0.301  -0.316  0.00  0.00    -0.001 C 
ATOM     20  C   LIG    1        7.144  -0.438   0.017  0.00  0.00    +0.048 C 
ATOM     21  C   LIG    1        5.354  -0.113  -1.751  0.00  0.00    +0.185 C 
ATOM     22  O   LIG    1        6.230  -0.073  -2.608  0.00  0.00    -0.287 OA
ATOM     23  C   LIG    1        3.918   0.023  -2.112  0.00  0.00    -0.001 C 
ATOM     24  C   LIG    1        3.616   0.213  -3.566  0.00  0.00    +0.048 C 
ATOM     25  C   LIG    1        2.968  -0.025  -1.168  0.00  0.00    +0.038 C 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 6