REMARK  Name = BDB021937
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.167   0.958   0.903  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -2.586  -0.120   0.509  0.00  0.00    +0.304 C 
ATOM      3  N   LIG    1       -1.752  -1.168   0.159  0.00  0.00    -0.296 N 
ATOM      4  H   LIG    1       -2.114  -1.766  -0.568  0.00  0.00    +0.151 HD
ATOM      5  N   LIG    1       -3.906  -0.490   0.359  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1       -4.062  -1.483   0.274  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -5.048   0.318   0.527  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1       -6.294  -0.315   0.488  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1       -7.460   0.432   0.637  0.00  0.00    +0.125 A 
ATOM     10  F   LIG    1       -8.646  -0.189   0.600  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -7.414   1.807   0.822  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -6.178   2.446   0.856  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -5.000   1.704   0.706  0.00  0.00    +0.023 A 
ENDBRANCH   5   7
BRANCH   3  14
ATOM     14  C   LIG    1       -0.299  -1.007   0.192  0.00  0.00    +0.077 C 
ATOM     15  C   LIG    1        0.211  -0.213  -1.009  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1        1.731  -0.022  -0.932  0.00  0.00    +0.086 C 
ATOM     17  N   LIG    1        2.439  -1.137  -0.277  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1        1.742  -2.406  -0.460  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1        0.390  -2.379   0.260  0.00  0.00    +0.038 C 
BRANCH  17  20
ATOM     20  C   LIG    1        3.844  -1.224  -0.708  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.672  -0.017  -0.319  0.00  0.00    -0.033 A 
ATOM     22  C   LIG    1        5.348   0.731  -1.294  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        6.121   1.835  -0.930  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.229   2.201   0.411  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.564   1.465   1.389  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.792   0.360   1.027  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   3  14
TORSDOF 4