REMARK  Name = BDB059452
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.120   1.501   0.389  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -3.392   1.562  -0.808  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -2.117   0.975  -0.877  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1       -1.529   0.329   0.221  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -0.186  -0.264   0.104  0.00  0.00    +0.050 A 
ATOM      6  N   LIG    1       -0.010  -1.544   0.544  0.00  0.00    -0.346 N 
ATOM      7  C   LIG    1       -1.159  -2.357   1.023  0.00  0.00    +0.122 C 
ATOM      8  C   LIG    1       -1.572  -1.932   2.428  0.00  0.00    +0.026 C 
ATOM      9  C   LIG    1       -1.694  -0.421   2.634  0.00  0.00    +0.037 C 
ATOM     10  C   LIG    1        1.216  -2.121   0.508  0.00  0.00    +0.094 A 
ATOM     11  C   LIG    1        2.337  -1.446   0.019  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        2.179  -0.132  -0.446  0.00  0.00    -0.011 A 
ATOM     13  C   LIG    1        3.292   0.568  -0.942  0.00  0.00    +0.058 A 
ATOM     14  C   LIG    1        4.556  -0.030  -0.979  0.00  0.00    +0.162 A 
ATOM     15  C   LIG    1        4.715  -1.349  -0.514  0.00  0.00    +0.162 A 
ATOM     16  C   LIG    1        3.608  -2.047  -0.019  0.00  0.00    +0.059 A 
ATOM     17  C   LIG    1        0.910   0.450  -0.397  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1       -2.265   0.276   1.423  0.00  0.00    -0.035 A 
ATOM     19  C   LIG    1       -3.544   0.857   1.493  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1  21
ATOM     20  C   LIG    1       -6.067   2.119   1.651  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -5.374   2.045   0.411  0.00  0.00    -0.491 OA
ENDBRANCH   1  21
BRANCH   2  22
ATOM     22  O   LIG    1       -3.755   2.122  -2.005  0.00  0.00    -0.491 OA
ATOM     23  C   LIG    1       -4.882   2.987  -2.045  0.00  0.00    +0.277 C 
ENDBRANCH   2  22
BRANCH  15  24
ATOM     24  O   LIG    1        5.985  -1.861  -0.588  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        6.213  -3.184  -0.127  0.00  0.00    +0.277 C 
ENDBRANCH  15  24
BRANCH  14  26
ATOM     26  O   LIG    1        5.690   0.582  -1.446  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1        5.591   1.919  -1.917  0.00  0.00    +0.277 C 
ENDBRANCH  14  26
TORSDOF 4