REMARK  Name = BDB021280
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.850  -0.017   0.022  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        2.167   0.307  -1.187  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1        0.811   0.036  -1.231  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.354   0.455  -2.460  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.466   0.940  -3.110  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        0.110  -0.558  -0.161  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.751  -0.848   0.938  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.584   0.836  -2.323  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        2.098  -0.562   1.003  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        7.372   1.307   1.873  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1        6.243   0.793   1.063  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1        6.467   0.198  -0.111  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1        5.237  -0.128  -0.567  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1        5.159  -0.843  -1.821  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1        4.226   0.234   0.298  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1        4.867   0.828   1.370  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   5  17
ATOM     17  C   LIG    1        1.521   1.494  -4.429  0.00  0.00    +0.121 C 
ATOM     18  N   LIG    1        1.526   1.933  -5.504  0.00  0.00    -0.189 NA
ENDBRANCH   5  17
BRANCH   6  19
ATOM     19  N   LIG    1       -1.237  -0.810  -0.312  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.591  -0.901  -1.257  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -1.956  -1.639   0.640  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.438  -1.529   0.377  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1       -4.188  -0.374   0.705  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.545   0.821   1.366  0.00  0.00    +0.042 C 
ATOM     25  C   LIG    1       -4.592   1.764   1.942  0.00  0.00    +0.046 C 
ATOM     26  C   LIG    1       -5.688   1.962   0.913  0.00  0.00    +0.229 C 
ATOM     27  O   LIG    1       -6.371   0.739   0.633  0.00  0.00    -0.492 OA
ATOM     28  C   LIG    1       -5.555  -0.332   0.378  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -6.184  -1.427  -0.219  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -5.451  -2.567  -0.531  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -4.093  -2.605  -0.240  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -3.400  -3.703  -0.574  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5