REMARK  Name = BDB052389
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.223  -2.246  -1.887  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1        2.212  -1.335  -1.362  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1        2.023  -0.291  -0.506  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        0.808   0.214   0.104  0.00  0.00    +0.097 A 
ATOM      5  C   LIG    1        0.946   1.205   1.063  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1        2.299   1.671   1.538  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1        3.436   1.518   0.495  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -0.239   1.640   1.596  0.00  0.00    +0.120 A 
ATOM      9  N   LIG    1       -1.440   1.171   1.208  0.00  0.00    -0.222 NA
ATOM     10  C   LIG    1       -1.468   0.219   0.260  0.00  0.00    +0.220 A 
ATOM     11  N   LIG    1       -0.364  -0.287  -0.312  0.00  0.00    -0.212 NA
ATOM     12  C   LIG    1        3.270   0.278  -0.318  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        4.168  -0.498  -1.103  0.00  0.00    +0.151 A 
ATOM     14  N   LIG    1        3.503  -1.492  -1.723  0.00  0.00    -0.166 NA
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1        5.618  -0.329  -1.287  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1        6.224  -0.543  -2.333  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1        6.314   0.055  -0.168  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1        5.923  -0.157   0.738  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        7.317  -0.032  -0.265  0.00  0.00    +0.145 HD
ENDBRANCH  13  15
BRANCH  10  20
ATOM     20  N   LIG    1       -2.664  -0.319  -0.199  0.00  0.00    -0.281 N 
ATOM     21  H   LIG    1       -2.485  -1.008  -0.917  0.00  0.00    +0.155 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -4.016  -0.096   0.093  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -4.983  -0.848  -0.597  0.00  0.00    +0.144 A 
ATOM     24  F   LIG    1       -4.582  -1.748  -1.511  0.00  0.00    -0.204 F 
ATOM     25  C   LIG    1       -6.349  -0.695  -0.369  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1       -6.785   0.230   0.573  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -5.849   0.989   1.275  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -4.478   0.826   1.036  0.00  0.00    +0.026 A 
ENDBRANCH  20  22
ENDBRANCH  10  20
TORSDOF 3