REMARK  Name = BDB036937
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.120   0.593   0.749  0.00  0.00    +0.144 C 
ATOM      2  C   LIG    1        1.458  -0.587   1.675  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1        1.169  -0.598   2.871  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        2.078  -1.667   1.093  0.00  0.00    -0.255 N 
ATOM      5  H   LIG    1        2.255  -2.455   1.699  0.00  0.00    +0.158 HD
ATOM      6  C   LIG    1        2.652  -1.730  -0.150  0.00  0.00    +0.219 C 
ATOM      7  O   LIG    1        3.272  -2.729  -0.508  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        2.471  -0.533  -1.051  0.00  0.00    +0.098 C 
ATOM      9  C   LIG    1        2.284   0.742  -0.239  0.00  0.00    +0.037 C 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -2.949  -1.067  -0.416  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -2.525   0.295   0.134  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1       -1.290   0.193   1.028  0.00  0.00    +0.088 C 
ATOM     13  N   LIG    1       -0.177   0.347   0.078  0.00  0.00    -0.291 NA
ATOM     14  C   LIG    1       -0.597   1.461  -0.782  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -2.091   1.237  -0.992  0.00  0.00    +0.020 C 
ENDBRANCH   1  13
TORSDOF 1