REMARK  Name = BDB004097
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.239  -0.846  -0.005  0.00  0.00    -0.217 N 
ATOM      2  C   LIG    1       -0.036  -2.091  -0.555  0.00  0.00    +0.268 A 
ATOM      3  O   LIG    1        0.810  -2.868  -0.992  0.00  0.00    -0.266 OA
ATOM      4  C   LIG    1       -1.458  -2.483  -0.593  0.00  0.00    +0.074 A 
ATOM      5  C   LIG    1       -2.411  -1.643  -0.192  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -1.976  -0.308   0.274  0.00  0.00    +0.092 A 
ATOM      7  N   LIG    1       -0.735   0.059   0.367  0.00  0.00    -0.168 NA
ENDROOT
BRANCH   1  14
ATOM      8  O   LIG    1        5.133   0.287   1.681  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        4.532  -0.262   0.764  0.00  0.00    +0.219 C 
ATOM     10  N   LIG    1        3.763  -1.374   0.973  0.00  0.00    -0.255 N 
ATOM     11  H   LIG    1        4.026  -1.804   1.855  0.00  0.00    +0.158 HD
ATOM     12  C   LIG    1        2.395  -1.287   1.056  0.00  0.00    +0.244 C 
ATOM     13  O   LIG    1        1.852  -1.859   2.008  0.00  0.00    -0.273 OA
ATOM     14  C   LIG    1        1.628  -0.372   0.085  0.00  0.00    +0.197 C 
ATOM     15  C   LIG    1        2.250  -0.200  -1.304  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1        3.432   0.765  -1.286  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1        4.683   0.160  -0.678  0.00  0.00    +0.096 C 
ENDBRANCH   1  14
BRANCH   6  18
ATOM     18  C   LIG    1       -3.046   0.647   0.678  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -2.801   1.512   1.753  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1       -3.777   2.423   2.158  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -4.997   2.481   1.486  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -5.241   1.634   0.405  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -4.267   0.720  -0.003  0.00  0.00    +0.010 A 
ENDBRANCH   6  18
TORSDOF 2