REMARK  Name = BDB050014
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.464   0.517   0.441  0.00  0.00    +0.042 A 
ATOM      2  N   LIG    1        0.137   0.652   0.202  0.00  0.00    -0.251 NA
ATOM      3  C   LIG    1       -0.664  -0.448   0.138  0.00  0.00    +0.083 A 
ATOM      4  C   LIG    1       -0.108  -1.737   0.317  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -0.908  -2.891   0.258  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -2.272  -2.794   0.021  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.842  -1.541  -0.158  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        1.267  -1.852   0.555  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -2.050  -0.377  -0.102  0.00  0.00    +0.062 A 
ATOM     10  C   LIG    1        2.064  -0.718   0.616  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -2.773   0.916  -0.311  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -3.985   0.952  -0.496  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -2.050   2.071  -0.294  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -1.047   2.047  -0.118  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -2.522   2.954  -0.414  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   1  17
ATOM     16  C   LIG    1        2.808   2.143  -0.905  0.00  0.00    +0.010 C 
ATOM     17  C   LIG    1        2.283   1.780   0.475  0.00  0.00    +0.052 C 
ENDBRANCH   1  17
TORSDOF 2