REMARK  Name = BDB046985
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.548  -0.979  -0.063  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -5.397  -0.637   0.203  0.00  0.00    +0.246 C 
ATOM      3  C   LIG    1       -4.730   0.424  -0.592  0.00  0.00    +0.061 A 
ATOM      4  C   LIG    1       -3.335   0.638  -0.671  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -2.805   1.652  -1.482  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -3.669   2.482  -2.222  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -5.046   2.281  -2.155  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.393   1.597  -1.371  0.00  0.00    +0.036 A 
ATOM      9  C   LIG    1       -1.061   0.556  -0.529  0.00  0.00    +0.050 A 
ATOM     10  N   LIG    1       -2.251   0.015  -0.074  0.00  0.00    -0.338 N 
ATOM     11  C   LIG    1       -2.343  -1.038   0.926  0.00  0.00    +0.141 C 
ATOM     12  C   LIG    1       -3.521  -0.858   1.867  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1       -5.562   1.265  -1.359  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -4.770  -1.244   1.255  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1       -5.380  -1.882   1.753  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  16
ATOM     16  C   LIG    1        0.273   0.093  -0.152  0.00  0.00    -0.001 A 
ATOM     17  C   LIG    1        1.125   0.925   0.579  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        2.404   0.488   0.937  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1        2.852  -0.787   0.565  0.00  0.00    -0.028 A 
ATOM     20  C   LIG    1        1.998  -1.613  -0.181  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        0.720  -1.175  -0.537  0.00  0.00    +0.010 A 
BRANCH  19  22
ATOM     22  C   LIG    1        4.236  -1.254   0.939  0.00  0.00    +0.156 C 
BRANCH  22  23
ATOM     23  N   LIG    1        5.254  -0.682   0.067  0.00  0.00    -0.349 N 
ATOM     24  C   LIG    1        6.065   0.378   0.384  0.00  0.00    +0.086 A 
ATOM     25  C   LIG    1        6.917   0.593  -0.677  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1        6.620  -0.378  -1.662  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1        5.595  -1.159  -1.174  0.00  0.00    +0.086 A 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   9  16
TORSDOF 3