REMARK  Name = BDB052421
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.332  -0.507   2.745  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1        3.087  -0.337   1.526  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1        2.615  -0.045   0.282  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        1.260   0.182  -0.180  0.00  0.00    +0.097 A 
ATOM      5  C   LIG    1        1.108   0.726  -1.446  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1        2.293   1.169  -2.268  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1        3.598   0.381  -1.982  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -0.195   0.909  -1.827  0.00  0.00    +0.120 A 
ATOM      9  N   LIG    1       -1.243   0.562  -1.055  0.00  0.00    -0.222 NA
ATOM     10  C   LIG    1       -0.991   0.025   0.151  0.00  0.00    +0.220 A 
ATOM     11  N   LIG    1        0.248  -0.177   0.625  0.00  0.00    -0.212 NA
ATOM     12  C   LIG    1        3.728   0.051  -0.533  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        4.846  -0.217   0.306  0.00  0.00    +0.151 A 
ATOM     14  N   LIG    1        4.431  -0.446   1.568  0.00  0.00    -0.166 NA
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1        6.274  -0.269  -0.046  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1        7.198  -0.003   0.718  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1        6.555  -0.690  -1.323  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1        7.532  -0.902  -1.476  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        5.880  -1.264  -1.807  0.00  0.00    +0.145 HD
ENDBRANCH  13  15
BRANCH  10  20
ATOM     20  N   LIG    1       -2.016  -0.364   1.010  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1       -1.610  -0.750   1.849  0.00  0.00    +0.155 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.412  -0.358   0.928  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1       -4.127   0.111  -0.179  0.00  0.00    +0.035 A 
ATOM     24  C   LIG    1       -5.535   0.098  -0.211  0.00  0.00    +0.057 A 
ATOM     25  C   LIG    1       -6.238  -0.383   0.900  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.546  -0.852   2.012  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -4.149  -0.838   2.022  0.00  0.00    +0.023 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -6.264   0.630  -1.419  0.00  0.00    +0.417 C 
ATOM     29  F   LIG    1       -6.312   1.991  -1.440  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -7.560   0.212  -1.494  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       -5.690   0.258  -2.597  0.00  0.00    -0.166 F 
ENDBRANCH  24  28
ENDBRANCH  20  22
ENDBRANCH  10  20
TORSDOF 4