REMARK  Name = BDB002858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.747   0.090   0.404  0.00  0.00    +0.136 A 
ATOM      2  N   LIG    1       -2.090   0.507   0.336  0.00  0.00    -0.184 N 
ATOM      3  C   LIG    1       -3.011  -0.134  -0.474  0.00  0.00    +0.235 A 
ATOM      4  N   LIG    1       -4.187   0.429  -0.380  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1       -3.959   1.431   0.519  0.00  0.00    +0.247 A 
ATOM      6  N   LIG    1       -2.645  -1.208  -1.238  0.00  0.00    -0.291 N 
ATOM      7  H   LIG    1       -3.334  -1.662  -1.822  0.00  0.00    +0.172 HD
ATOM      8  C   LIG    1       -1.361  -1.684  -1.208  0.00  0.00    +0.255 A 
ATOM      9  O   LIG    1       -1.002  -2.645  -1.878  0.00  0.00    -0.268 OA
ATOM     10  N   LIG    1       -2.711   1.525   0.986  0.00  0.00    -0.151 NA
ATOM     11  C   LIG    1       -0.380  -0.986  -0.317  0.00  0.00    +0.114 A 
ENDROOT
BRANCH   1  14
ATOM     12  O   LIG    1        1.786   1.270   2.611  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1        1.423   0.802   1.530  0.00  0.00    +0.285 C 
ATOM     14  N   LIG    1        0.067   0.799   1.272  0.00  0.00    -0.264 N 
ATOM     15  H   LIG    1       -0.430   1.403   1.928  0.00  0.00    +0.157 HD
BRANCH  13  16
ATOM     16  C   LIG    1        2.353   0.347   0.521  0.00  0.00    +0.189 A 
ATOM     17  O   LIG    1        3.425  -0.405   0.920  0.00  0.00    -0.458 OA
ATOM     18  C   LIG    1        4.158  -0.688  -0.186  0.00  0.00    +0.196 A 
ATOM     19  C   LIG    1        3.590  -0.117  -1.299  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1        2.433   0.562  -0.845  0.00  0.00    +0.054 A 
ENDBRANCH  13  16
ENDBRANCH   1  14
TORSDOF 2