REMARK  Name = BDB053736
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.834   0.641   0.353  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -1.135   1.980   0.086  0.00  0.00    -0.278 N 
ATOM      3  C   LIG    1        0.024   2.738   0.252  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        1.012   1.885   0.737  0.00  0.00    +0.105 A 
ATOM      5  N   LIG    1        2.266   2.301   1.051  0.00  0.00    -0.253 NA
ATOM      6  C   LIG    1        2.521   3.602   0.826  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1        1.622   4.511   0.299  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        0.335   4.083  -0.012  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        0.479   0.578   0.811  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        1.136  -0.605   1.339  0.00  0.00    +0.254 C 
ATOM     11  N   LIG    1        2.263  -1.079   0.674  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        2.810  -0.535  -0.574  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        3.484  -1.631  -1.421  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        4.560  -2.369  -0.736  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        4.554  -3.332  -1.071  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        4.404  -2.354   0.728  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        2.954  -2.243   1.225  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        0.678  -1.181   2.326  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -2.414   2.492  -0.304  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -2.847   3.737   0.174  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.096   4.240  -0.198  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.921   3.506  -1.046  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.502   2.264  -1.519  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.255   1.754  -1.148  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   1  25
ATOM     25  O   LIG    1       -1.785  -0.299   0.248  0.00  0.00    -0.438 OA
BRANCH  25  28
ATOM     26  C   LIG    1       -2.704  -2.357   1.964  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -1.922  -2.639   0.714  0.00  0.00    -0.005 A 
ATOM     28  C   LIG    1       -1.463  -1.591  -0.101  0.00  0.00    +0.136 A 
ATOM     29  C   LIG    1       -0.745  -1.851  -1.272  0.00  0.00    +0.087 A 
ATOM     30  C   LIG    1       -0.436  -3.165  -1.598  0.00  0.00    +0.162 A 
ATOM     31  F   LIG    1        0.275  -3.414  -2.707  0.00  0.00    -0.202 F 
ATOM     32  C   LIG    1       -0.853  -4.211  -0.784  0.00  0.00    +0.159 A 
ATOM     33  F   LIG    1       -0.545  -5.476  -1.104  0.00  0.00    -0.202 F 
ATOM     34  C   LIG    1       -1.597  -3.958   0.365  0.00  0.00    +0.048 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4