REMARK  Name = BDB045850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.811   0.896  -0.012  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        1.512   0.149  -0.070  0.00  0.00    -0.050 A 
ATOM      3  C   LIG    1        0.296   0.846  -0.092  0.00  0.00    +0.016 A 
ATOM      4  C   LIG    1       -0.924   0.154  -0.110  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1       -0.925  -1.246  -0.118  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        0.283  -1.944  -0.083  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        1.494  -1.250  -0.049  0.00  0.00    +0.003 A 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -2.182   0.946  -0.139  0.00  0.00    +0.242 C 
ATOM      9  O   LIG    1       -2.204   2.113  -0.510  0.00  0.00    -0.270 OA
ATOM     10  N   LIG    1       -3.323   0.336   0.307  0.00  0.00    -0.325 N 
ATOM     11  H   LIG    1       -3.293  -0.491   0.885  0.00  0.00    +0.145 HD
ATOM     12  H   LIG    1       -4.130   0.939   0.403  0.00  0.00    +0.145 HD
ENDBRANCH   4   8
TORSDOF 1