REMARK  Name = BDB049507
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.098  -1.565  -1.134  0.00  0.00    +0.079 C 
ATOM      2  C   LIG    1       -0.304  -0.508  -0.025  0.00  0.00    +0.053 C 
ATOM      3  C   LIG    1        0.865   0.444  -0.303  0.00  0.00    +0.094 C 
ATOM      4  N   LIG    1        1.986  -0.474  -0.529  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1        1.448  -1.621  -1.278  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.640   0.183  -0.023  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -2.512   0.338   1.107  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -3.640   1.046   0.681  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -4.694   1.368   1.552  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -4.595   0.961   2.885  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -3.483   0.256   3.336  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1       -3.463   1.308  -0.659  0.00  0.00    -0.349 N 
ATOM     13  C   LIG    1       -4.407   2.014  -1.496  0.00  0.00    +0.149 C 
ATOM     14  C   LIG    1       -2.440  -0.060   2.459  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -2.265   0.807  -1.088  0.00  0.00    +0.090 A 
ENDBRANCH   2   6
BRANCH   1  17
ATOM     16  C   LIG    1       -0.580  -3.553   0.248  0.00  0.00    +0.104 C 
ATOM     17  N   LIG    1       -0.826  -2.846  -1.006  0.00  0.00    -0.304 NA
ATOM     18  C   LIG    1       -0.580  -3.725  -2.148  0.00  0.00    +0.104 C 
ENDBRANCH   1  17
BRANCH   4  19
ATOM     19  C   LIG    1        3.151   0.132  -1.177  0.00  0.00    +0.123 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.894   1.090  -0.276  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1        3.821   2.488  -0.372  0.00  0.00    +0.025 A 
ATOM     22 BR   LIG    1        2.791   3.378  -1.700  0.00  0.00    -0.050 Br
ATOM     23  C   LIG    1        4.529   3.307   0.521  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1        5.322   2.744   1.521  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        5.412   1.362   1.626  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        4.706   0.554   0.737  0.00  0.00    +0.129 A 
ATOM     27  F   LIG    1        4.833  -0.776   0.859  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4