REMARK  Name = BDB012982
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.610  -0.589  -2.833  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.419  -1.035  -2.023  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -0.523  -0.980  -0.569  0.00  0.00    +0.135 C 
ATOM      4  C   LIG    1       -1.555  -2.058  -0.223  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1       -2.480  -2.031  -1.440  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -1.500  -1.828  -2.587  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.655  -0.928  -4.016  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        3.070   1.621  -1.240  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        3.718   1.206  -2.332  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        2.828   0.420  -2.957  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        3.077   0.007  -3.851  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        1.646   0.251  -2.283  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        1.770   1.059  -1.170  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        2.985   3.904  -0.206  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        3.732   2.571  -0.283  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        3.876   1.957   1.111  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -2.230  -1.873   1.040  0.00  0.00    -0.265 N 
ATOM     18  N   LIG    1       -2.723  -0.667   1.380  0.00  0.00    -0.169 NA
ATOM     19  C   LIG    1       -3.318  -0.866   2.574  0.00  0.00    +0.142 A 
ATOM     20  C   LIG    1       -3.148  -2.206   2.983  0.00  0.00    +0.064 A 
ATOM     21 BR   LIG    1       -3.756  -2.972   4.577  0.00  0.00    -0.047 Br
ATOM     22  C   LIG    1       -2.448  -2.832   1.986  0.00  0.00    +0.124 A 
BRANCH  19  23
ATOM     23  C   LIG    1       -4.020   0.229   3.317  0.00  0.00    +0.392 C 
ATOM     24  F   LIG    1       -5.306  -0.113   3.608  0.00  0.00    -0.202 F 
ATOM     25  F   LIG    1       -4.095   1.389   2.606  0.00  0.00    -0.202 F 
ENDBRANCH  19  23
ENDBRANCH   4  17
TORSDOF 4