REMARK  Name = BDB020231
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        4.347  -0.212   0.596  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        3.148  -0.225   0.335  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1        2.290  -1.078   0.980  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1        2.705  -1.671   1.687  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1        0.943  -1.260   0.762  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1        0.334  -2.118   1.397  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1        0.314  -0.398  -0.333  0.00  0.00    +0.106 C 
ATOM      8  C   LIG    1        1.082   0.920  -0.475  0.00  0.00    +0.026 C 
ATOM      9  C   LIG    1        2.550   0.636  -0.750  0.00  0.00    +0.097 C 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -1.164  -0.121  -0.124  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1       -2.070  -0.320  -1.172  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -3.410  -0.029  -0.965  0.00  0.00    +0.111 A 
ATOM     13  N   LIG    1       -3.905   0.445   0.197  0.00  0.00    -0.263 NA
ATOM     14  C   LIG    1       -3.021   0.627   1.200  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1       -1.662   0.369   1.089  0.00  0.00    +0.024 A 
ENDBRANCH   7  10
TORSDOF 1