REMARK  Name = BDB062913
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.003   1.130   0.517  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        1.286   0.821   0.092  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        2.076  -0.399   0.105  0.00  0.00    -0.006 A 
ATOM      4  C   LIG    1        3.324  -0.145  -0.493  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        3.349   1.275  -0.897  0.00  0.00    +0.194 C 
ATOM      6  O   LIG    1        4.255   1.858  -1.452  0.00  0.00    -0.287 OA
ATOM      7  C   LIG    1        4.313  -1.099  -0.642  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        4.037  -2.377  -0.161  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        2.800  -2.659   0.449  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        1.814  -1.671   0.587  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        2.045   1.845  -0.502  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1        1.597   3.145  -0.668  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        0.315   3.443  -0.211  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -0.478   2.445   0.381  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  16
ATOM     15  N   LIG    1       -1.733  -0.611   0.324  0.00  0.00    -0.298 N 
ATOM     16  C   LIG    1       -0.874   0.129   1.139  0.00  0.00    +0.247 C 
ATOM     17  O   LIG    1       -0.801   0.001   2.358  0.00  0.00    -0.270 OA
BRANCH  15  19
ATOM     18  C   LIG    1       -3.005   0.411  -1.558  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1       -1.835  -0.461  -1.133  0.00  0.00    +0.104 C 
ENDBRANCH  15  19
BRANCH  15  20
ATOM     20  C   LIG    1       -2.639  -1.554   0.979  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1       -3.830  -0.875   1.640  0.00  0.00    +0.024 C 
ENDBRANCH  15  20
ENDBRANCH   1  16
TORSDOF 3