REMARK  Name = BDB057412
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.215  -0.265   2.446  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1        2.637  -0.029   1.101  0.00  0.00    +0.061 A 
ATOM      3  N   LIG    1        1.329  -0.194   0.895  0.00  0.00    -0.169 NA
ATOM      4  N   LIG    1        1.131   0.101  -0.422  0.00  0.00    -0.200 N 
ATOM      5  C   LIG    1       -0.177   0.044  -0.964  0.00  0.00    +0.279 C 
ATOM      6  O   LIG    1       -0.332   0.381  -2.139  0.00  0.00    -0.265 OA
ATOM      7  C   LIG    1        2.326   0.452  -1.039  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1        2.438   0.829  -2.471  0.00  0.00    +0.066 C 
ATOM      9  C   LIG    1        3.304   0.371  -0.071  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -1.375  -0.400  -0.198  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -2.562   0.361  -0.205  0.00  0.00    -0.038 A 
ATOM     12  C   LIG    1       -2.677   1.665  -0.944  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -3.682  -0.132   0.485  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -3.622  -1.343   1.176  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -2.445  -2.087   1.180  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -1.326  -1.621   0.491  0.00  0.00    +0.013 A 
ENDBRANCH   5  10
TORSDOF 1