REMARK  Name = BDB041032
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.298  -1.192  -0.089  0.00  0.00    +0.171 C 
ATOM      2  C   LIG    1       -1.376  -0.141  -0.478  0.00  0.00    +0.083 C 
ATOM      3  C   LIG    1       -2.747  -0.744  -0.448  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -4.066  -0.215  -0.503  0.00  0.00    +0.066 A 
ATOM      5  N   LIG    1       -4.987  -1.192  -0.511  0.00  0.00    -0.175 NA
ATOM      6  N   LIG    1       -4.272  -2.332  -0.498  0.00  0.00    -0.253 N 
ATOM      7  C   LIG    1       -4.966  -3.596  -0.524  0.00  0.00    +0.174 C 
ATOM      8  C   LIG    1       -4.508   1.201  -0.568  0.00  0.00    +0.068 C 
ATOM      9  C   LIG    1       -2.928  -2.106  -0.490  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1       -1.928  -3.038  -0.583  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1       -2.114  -4.001  -0.835  0.00  0.00    +0.156 HD
ATOM     12  C   LIG    1       -0.621  -2.614  -0.625  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        0.264  -3.386  -1.006  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2  14
ATOM     14  C   LIG    1       -1.402   1.070   0.444  0.00  0.00    -0.036 A 
ATOM     15  C   LIG    1       -1.083   2.338  -0.077  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1       -1.076   3.464   0.751  0.00  0.00    +0.053 A 
ATOM     17 BR   LIG    1       -0.651   5.153   0.014  0.00  0.00    -0.047 Br
ATOM     18  C   LIG    1       -1.383   3.336   2.102  0.00  0.00    +0.137 A 
ATOM     19  F   LIG    1       -1.389   4.406   2.910  0.00  0.00    -0.204 F 
ATOM     20  C   LIG    1       -1.695   2.092   2.638  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1       -1.702   0.963   1.817  0.00  0.00    +0.007 A 
ENDBRANCH   2  14
BRANCH   1  23
ATOM     22  C   LIG    1        1.907  -0.065   0.137  0.00  0.00    +0.245 C 
ATOM     23  N   LIG    1        1.042  -0.851  -0.594  0.00  0.00    -0.299 N 
ATOM     24  H   LIG    1        1.459  -1.544  -1.209  0.00  0.00    +0.150 HD
ATOM     25  O   LIG    1        1.593   0.477   1.189  0.00  0.00    -0.270 OA
BRANCH  22  29
ATOM     26  C   LIG    1        6.720   0.972   1.003  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        5.637   0.563   0.049  0.00  0.00    -0.050 A 
ATOM     28  C   LIG    1        4.316   0.425   0.495  0.00  0.00    +0.016 A 
ATOM     29  C   LIG    1        3.292   0.070  -0.396  0.00  0.00    +0.037 A 
ATOM     30  C   LIG    1        3.591  -0.116  -1.751  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1        4.903   0.034  -2.203  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        5.919   0.373  -1.309  0.00  0.00    +0.003 A 
ENDBRANCH  22  29
ENDBRANCH   1  23
TORSDOF 3