REMARK  Name = BDB031227
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.382   0.416   1.095  0.00  0.00    -0.247 OA
ATOM      2  C   LIG    1       -4.240   0.204   0.731  0.00  0.00    +0.325 A 
ATOM      3  N   LIG    1       -3.084   0.868   1.167  0.00  0.00    -0.306 N 
ATOM      4  H   LIG    1       -3.089   1.610   1.847  0.00  0.00    +0.170 HD
ATOM      5  C   LIG    1       -1.984   0.328   0.510  0.00  0.00    +0.067 A 
ATOM      6  C   LIG    1       -2.442  -0.676  -0.338  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1       -1.592  -1.407  -1.129  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -0.228  -1.094  -1.042  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1        0.262  -0.070  -0.180  0.00  0.00    -0.014 A 
ATOM     10  C   LIG    1       -0.651   0.655   0.613  0.00  0.00    +0.036 A 
ATOM     11  N   LIG    1       -3.823  -0.753  -0.205  0.00  0.00    -0.306 N 
ATOM     12  H   LIG    1       -4.451  -1.379  -0.683  0.00  0.00    +0.170 HD
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1        1.701   0.225  -0.121  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        2.199   1.516  -0.306  0.00  0.00    +0.119 A 
ATOM     15  N   LIG    1        3.510   1.856  -0.258  0.00  0.00    -0.263 NA
ATOM     16  C   LIG    1        4.384   0.858  -0.015  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        4.008  -0.459   0.181  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        2.651  -0.774   0.127  0.00  0.00    +0.011 A 
ENDBRANCH   9  13
TORSDOF 1