REMARK  Name = BDB050064
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.855   0.414   0.424  0.00  0.00    +0.233 A 
ATOM      2  N   LIG    1       -1.627   0.058   0.257  0.00  0.00    -0.127 NA
ATOM      3  N   LIG    1       -1.274  -0.989   1.065  0.00  0.00    -0.209 N 
ATOM      4  C   LIG    1       -2.096  -1.652   1.968  0.00  0.00    +0.155 A 
ATOM      5  N   LIG    1       -1.465  -2.633   2.574  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -0.197  -2.608   2.056  0.00  0.00    +0.141 A 
ATOM      7  C   LIG    1       -3.431  -1.200   2.092  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1       -0.032  -1.599   1.120  0.00  0.00    +0.093 A 
ATOM      9  C   LIG    1       -3.850  -0.173   1.342  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        1.141  -1.230   0.325  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        1.466   0.110   0.074  0.00  0.00    +0.019 A 
ATOM     12  C   LIG    1        2.595   0.437  -0.685  0.00  0.00    -0.003 A 
ATOM     13  C   LIG    1        3.420  -0.568  -1.195  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        3.111  -1.903  -0.944  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        1.982  -2.231  -0.189  0.00  0.00    +0.010 A 
BRANCH  12  16
ATOM     16  C   LIG    1        2.942   1.844  -0.962  0.00  0.00    +0.160 C 
ATOM     17  N   LIG    1        2.230   2.834  -0.525  0.00  0.00    -0.095 NA
BRANCH  17  18
ATOM     18  O   LIG    1        2.814   4.033  -0.949  0.00  0.00    -0.409 OA
ATOM     19  H   LIG    1        2.223   4.702  -0.557  0.00  0.00    +0.328 HD
ENDBRANCH  17  18
ENDBRANCH  12  16
ENDBRANCH   8  10
BRANCH   1  21
ATOM     20  C   LIG    1       -2.592   2.126  -1.181  0.00  0.00    +0.279 C 
ATOM     21  O   LIG    1       -3.436   1.432  -0.254  0.00  0.00    -0.479 OA
ENDBRANCH   1  21
TORSDOF 4