REMARK  Name = BDB051033
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.343   0.111   0.432  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.181  -0.181  -0.329  0.00  0.00    -0.017 A 
ATOM      3  C   LIG    1       -1.034  -1.525  -1.006  0.00  0.00    +0.046 C 
ATOM      4  C   LIG    1       -0.157   0.795  -0.469  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1       -0.285   2.049   0.169  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1       -1.429   2.276   0.920  0.00  0.00    +0.141 A 
ATOM      7  O   LIG    1       -1.405   3.519   1.473  0.00  0.00    -0.430 OA
ATOM      8  C   LIG    1       -0.249   4.105   1.069  0.00  0.00    +0.280 A 
ATOM      9  F   LIG    1        0.142   5.338   1.421  0.00  0.00    -0.164 F 
ATOM     10  C   LIG    1        0.466   3.256   0.257  0.00  0.00    +0.091 A 
ATOM     11  C   LIG    1       -2.464   1.357   1.075  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        1.038   0.527  -1.303  0.00  0.00    +0.245 C 
ATOM     13  N   LIG    1        2.250   0.718  -0.677  0.00  0.00    -0.307 N 
ATOM     14  H   LIG    1        2.258   1.200   0.214  0.00  0.00    +0.149 HD
ATOM     15  O   LIG    1        0.916   0.165  -2.466  0.00  0.00    -0.270 OA
BRANCH  13  16
ATOM     16  C   LIG    1        3.472   0.738  -1.452  0.00  0.00    +0.149 C 
BRANCH  16  17
ATOM     17  C   LIG    1        4.655   0.734  -0.541  0.00  0.00    +0.075 A 
ATOM     18  C   LIG    1        4.896   1.974   0.257  0.00  0.00    +0.257 A 
ATOM     19  O   LIG    1        4.095   2.904   0.269  0.00  0.00    -0.267 OA
ATOM     20  N   LIG    1        6.048   2.013   1.004  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1        6.204   2.874   1.516  0.00  0.00    +0.169 HD
ATOM     22  C   LIG    1        6.960   0.987   1.086  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1        8.161   1.209   1.951  0.00  0.00    +0.063 C 
ATOM     24  C   LIG    1        6.728  -0.142   0.399  0.00  0.00    +0.067 A 
ATOM     25  C   LIG    1        5.542  -0.270  -0.419  0.00  0.00    +0.132 A 
BRANCH  25  26
ATOM     26  O   LIG    1        5.455  -1.444  -1.140  0.00  0.00    -0.495 OA
ATOM     27  C   LIG    1        4.726  -2.432  -0.411  0.00  0.00    +0.277 C 
ENDBRANCH  25  26
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   4  12
BRANCH   1  28
ATOM     28  N   LIG    1       -3.384  -0.841   0.505  0.00  0.00    -0.327 N 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.357  -0.720  -0.613  0.00  0.00    +0.078 C 
ATOM     30  C   LIG    1       -4.834  -2.112  -1.039  0.00  0.00    +0.050 C 
ATOM     31  C   LIG    1       -5.904  -1.996  -2.116  0.00  0.00    +0.161 C 
ATOM     32  O   LIG    1       -6.905  -1.009  -1.860  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -6.872  -0.449  -0.554  0.00  0.00    +0.161 C 
ATOM     34  C   LIG    1       -5.531   0.219  -0.295  0.00  0.00    +0.050 C 
ENDBRANCH  28  29
BRANCH  28  36
ATOM     35  C   LIG    1       -2.869  -2.045   2.588  0.00  0.00    +0.024 C 
ATOM     36  C   LIG    1       -3.881  -1.182   1.848  0.00  0.00    +0.102 C 
ENDBRANCH  28  36
ENDBRANCH   1  28
TORSDOF 7