REMARK  Name = BDB060286
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.110  -1.983   1.359  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1        0.610  -0.995   0.525  0.00  0.00    -0.166 N 
ATOM      3  C   LIG    1        1.088  -0.589  -0.728  0.00  0.00    +0.255 C 
ATOM      4  O   LIG    1        2.084  -1.129  -1.199  0.00  0.00    -0.270 OA
ATOM      5  N   LIG    1       -0.472  -0.405   1.107  0.00  0.00    -0.139 NA
ATOM      6  C   LIG    1       -0.552  -1.043   2.290  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.413  -2.012   2.464  0.00  0.00    -0.192 NA
ENDROOT
BRANCH   6   8
ATOM      8  C   LIG    1       -1.568  -0.745   3.314  0.00  0.00    +0.110 A 
ATOM      9  N   LIG    1       -1.518  -1.466   4.465  0.00  0.00    -0.252 NA
ATOM     10  C   LIG    1       -2.445  -1.200   5.409  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1       -3.434  -0.242   5.270  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -3.477   0.490   4.090  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -2.533   0.238   3.096  0.00  0.00    +0.031 A 
ENDBRANCH   6   8
BRANCH   1  14
ATOM     14  N   LIG    1        2.151  -2.780   1.054  0.00  0.00    -0.327 N 
ATOM     15  H   LIG    1        2.595  -3.283   1.816  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1        2.773  -2.534   0.283  0.00  0.00    +0.145 HD
ENDBRANCH   1  14
BRANCH   3  17
ATOM     17  C   LIG    1        0.262   0.504  -1.370  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.869   1.041  -2.651  0.00  0.00    -0.025 A 
ATOM     19  C   LIG    1        1.931   1.963  -2.683  0.00  0.00    +0.017 A 
ATOM     20  I   LIG    1        2.821   2.749  -0.949  0.00  0.00    -0.044 I 
ATOM     21  C   LIG    1        2.450   2.406  -3.907  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1        1.923   1.933  -5.108  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        0.879   1.015  -5.093  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        0.358   0.571  -3.876  0.00  0.00    +0.005 A 
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 4