REMARK  Name = BDB046990
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.467  -0.310   0.557  0.00  0.00    +0.005 A 
ATOM      2  C   LIG    1        0.631   0.838   0.350  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1       -0.680   0.392   0.117  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -1.740   1.295  -0.116  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1       -3.159   0.924  -0.348  0.00  0.00    +0.246 C 
ATOM      6  N   LIG    1       -3.527  -0.341  -0.720  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1       -4.520  -0.407  -0.917  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1       -2.670  -1.431  -1.126  0.00  0.00    +0.126 C 
ATOM      9  C   LIG    1       -1.752  -1.886  -0.007  0.00  0.00    +0.140 C 
ATOM     10  O   LIG    1       -4.046   1.768  -0.224  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -1.433   2.671  -0.100  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -0.141   3.131   0.121  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1       -0.631  -0.984   0.183  0.00  0.00    -0.344 N 
ATOM     14  C   LIG    1        0.894   2.226   0.345  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        0.644  -1.413   0.435  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1        3.753  -0.718  -0.403  0.00  0.00    +0.041 C 
ATOM     17  C   LIG    1        2.949  -0.308   0.831  0.00  0.00    +0.179 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.252  -1.136   2.055  0.00  0.00    -0.061 NA
ATOM     19  O   LIG    1        4.017  -2.085   1.851  0.00  0.00    -0.148 OA
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 2