REMARK  Name = BDB042610
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.405   1.259   0.011  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1        0.723   3.279   1.111  0.00  0.00    -0.276 OA
ATOM      3  C   LIG    1        0.382   2.203   0.620  0.00  0.00    +0.216 C 
ATOM      4  N   LIG    1       -0.945   1.781   0.610  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -1.448   0.701  -0.245  0.00  0.00    +0.126 C 
ATOM      6  C   LIG    1       -2.711   0.032   0.319  0.00  0.00    +0.126 C 
ATOM      7  N   LIG    1       -3.721   0.997   0.756  0.00  0.00    -0.298 N 
ATOM      8  C   LIG    1       -5.086   0.691   0.841  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -5.856   1.431   1.466  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.214   2.075   1.611  0.00  0.00    +0.126 C 
ATOM     11  C   LIG    1       -1.963   2.747   1.038  0.00  0.00    +0.126 C 
BRANCH   8  12
ATOM     12  C   LIG    1       -5.582  -0.587   0.112  0.00  0.00    +0.075 C 
ATOM     13  C   LIG    1       -5.379  -1.952   0.830  0.00  0.00    +0.013 C 
ATOM     14  C   LIG    1       -6.729  -2.395   0.238  0.00  0.00    +0.001 C 
ATOM     15  C   LIG    1       -7.107  -0.905   0.172  0.00  0.00    +0.013 C 
ENDBRANCH   8  12
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1        2.828   1.809   0.135  0.00  0.00    +0.062 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.848   0.849  -0.423  0.00  0.00    +0.020 A 
ATOM     18  N   LIG    1        3.903   0.718  -1.791  0.00  0.00    -0.326 N 
ATOM     19  H   LIG    1        3.288   1.266  -2.382  0.00  0.00    +0.169 HD
ATOM     20  C   LIG    1        4.768  -0.109  -2.479  0.00  0.00    +0.259 A 
ATOM     21  O   LIG    1        4.734  -0.166  -3.702  0.00  0.00    -0.267 OA
ATOM     22  C   LIG    1        5.710  -0.902  -1.654  0.00  0.00    +0.082 A 
ATOM     23  C   LIG    1        5.663  -0.761  -0.257  0.00  0.00    -0.008 A 
ATOM     24  C   LIG    1        6.547  -1.499   0.541  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        7.468  -2.368  -0.048  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        7.509  -2.504  -1.435  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        6.632  -1.772  -2.233  0.00  0.00    +0.136 A 
ATOM     28  F   LIG    1        6.706  -1.935  -3.561  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        4.692   0.151   0.353  0.00  0.00    +0.030 A 
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 4