REMARK  Name = BDB057417
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.086   1.010  -0.068  0.00  0.00    +0.279 C 
ATOM      2  N   LIG    1       -1.428   0.553  -0.006  0.00  0.00    -0.200 N 
ATOM      3  C   LIG    1       -2.608   1.260  -0.217  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1       -2.659   2.711  -0.528  0.00  0.00    +0.066 C 
ATOM      5  C   LIG    1       -3.638   0.355  -0.077  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -3.019  -0.873   0.212  0.00  0.00    +0.061 A 
ATOM      7  C   LIG    1       -3.663  -2.187   0.452  0.00  0.00    +0.067 C 
ATOM      8  N   LIG    1       -1.690  -0.760   0.257  0.00  0.00    -0.169 NA
ATOM      9  O   LIG    1        0.101   2.173  -0.431  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        4.748   0.057  -0.910  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        3.478  -0.260  -0.179  0.00  0.00    -0.050 A 
ATOM     12  C   LIG    1        2.307   0.464  -0.446  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1        1.118   0.191   0.251  0.00  0.00    +0.041 A 
ATOM     14  C   LIG    1        1.119  -0.787   1.250  0.00  0.00    +0.013 A 
ATOM     15  C   LIG    1        2.286  -1.501   1.530  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        3.459  -1.238   0.821  0.00  0.00    +0.003 A 
ENDBRANCH   1  13
TORSDOF 1