REMARK  Name = BDB061213
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.504   0.042   0.069  0.00  0.00    +0.147 A 
ATOM      2  C   LIG    1       -0.443   0.774  -0.647  0.00  0.00    +0.127 A 
ATOM      3  C   LIG    1       -1.794   0.471  -0.696  0.00  0.00    +0.116 A 
ATOM      4  N   LIG    1       -2.441   1.385  -1.485  0.00  0.00    -0.130 NA
ATOM      5  N   LIG    1       -1.541   2.253  -1.934  0.00  0.00    -0.067 NA
ATOM      6  C   LIG    1       -2.275  -0.638   0.010  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -1.357  -1.400   0.743  0.00  0.00    +0.006 A 
ATOM      8  N   LIG    1       -0.349   1.887  -1.433  0.00  0.00    -0.254 N 
ATOM      9  H   LIG    1        0.475   2.429  -1.662  0.00  0.00    +0.191 HD
ATOM     10  C   LIG    1        0.004  -1.065   0.771  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        2.745  -0.299   0.760  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        1.799   0.464   0.021  0.00  0.00    -0.493 OA
ENDBRANCH   1  12
TORSDOF 1