REMARK  Name = BDB036952
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.324  -0.187  -0.337  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.126   0.021  -0.172  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.354   0.557  -1.173  0.00  0.00    -0.255 N 
ATOM      4  H   LIG    1       -3.831   0.743  -2.046  0.00  0.00    +0.158 HD
ATOM      5  C   LIG    1       -2.013   0.877  -1.140  0.00  0.00    +0.244 C 
ATOM      6  O   LIG    1       -1.489   1.375  -2.133  0.00  0.00    -0.273 OA
ATOM      7  C   LIG    1       -1.302   0.634   0.181  0.00  0.00    +0.193 C 
ATOM      8  C   LIG    1       -1.956  -0.522   0.939  0.00  0.00    +0.045 C 
ATOM      9  C   LIG    1       -3.434  -0.232   1.144  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   7  10
ATOM     10  N   LIG    1        0.132   0.397   0.026  0.00  0.00    -0.258 N 
ATOM     11  N   LIG    1        0.964   0.888   0.977  0.00  0.00    -0.171 NA
ATOM     12  C   LIG    1        2.186   0.457   0.623  0.00  0.00    +0.093 A 
ATOM     13  C   LIG    1        2.076  -0.357  -0.560  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        3.105  -0.998  -1.238  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        4.347  -0.755  -0.616  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        4.508   0.047   0.559  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        3.435   0.682   1.224  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1        0.754  -0.394  -0.902  0.00  0.00    +0.117 A 
ENDBRANCH   7  10
TORSDOF 1