REMARK  Name = BDB028772
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        4.699  -0.215   0.001  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        3.478  -0.160   0.077  0.00  0.00    +0.254 A 
ATOM      3  N   LIG    1        2.695  -1.218   0.420  0.00  0.00    -0.275 N 
ATOM      4  H   LIG    1        3.160  -2.098   0.580  0.00  0.00    +0.173 HD
ATOM      5  C   LIG    1        1.320  -1.289   0.335  0.00  0.00    +0.335 A 
ATOM      6  O   LIG    1        0.818  -2.404   0.469  0.00  0.00    -0.246 OA
ATOM      7  N   LIG    1        0.667  -0.073   0.042  0.00  0.00    -0.253 N 
ATOM      8  C   LIG    1        1.422   1.069  -0.209  0.00  0.00    +0.103 A 
ATOM      9  C   LIG    1        2.756   1.081  -0.210  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -0.776  -0.058   0.031  0.00  0.00    +0.141 A 
ATOM     11  N   LIG    1       -1.446  -1.007   0.721  0.00  0.00    -0.237 NA
ATOM     12  C   LIG    1       -2.796  -0.988   0.733  0.00  0.00    +0.113 A 
ATOM     13  C   LIG    1       -3.554  -0.037   0.081  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -2.880   0.944  -0.629  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -1.484   0.936  -0.654  0.00  0.00    +0.047 A 
ENDBRANCH   7  10
TORSDOF 1