REMARK  Name = BDB008945
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.383  -2.141  -2.439  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        1.608  -1.672  -1.612  0.00  0.00    +0.268 A 
ATOM      3  C   LIG    1        2.043  -0.658  -0.619  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        3.489  -0.248  -0.670  0.00  0.00    +0.041 C 
ATOM      5  C   LIG    1        3.788   0.994   0.171  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1        3.087   0.920   1.521  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1        1.569   0.801   1.348  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1        1.164  -0.166   0.271  0.00  0.00    -0.016 A 
ATOM      9  C   LIG    1       -0.250  -0.645   0.160  0.00  0.00    +0.069 A 
ATOM     10  N   LIG    1       -0.633  -1.564  -0.678  0.00  0.00    -0.175 NA
ATOM     11  N   LIG    1        0.300  -2.065  -1.529  0.00  0.00    -0.243 N 
ATOM     12  H   LIG    1       -0.020  -2.753  -2.202  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -1.311  -0.065   1.095  0.00  0.00    +0.095 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.637   0.196   0.419  0.00  0.00    -0.009 A 
ATOM     15  C   LIG    1       -2.858   1.256  -0.464  0.00  0.00    +0.110 A 
ATOM     16 BR   LIG    1       -1.482   2.504  -0.886  0.00  0.00    -0.028 Br
ATOM     17  N   LIG    1       -4.048   1.493  -1.068  0.00  0.00    -0.248 NA
ATOM     18  C   LIG    1       -5.056   0.637  -0.807  0.00  0.00    +0.112 A 
ATOM     19  C   LIG    1       -4.940  -0.448   0.040  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -3.714  -0.669   0.660  0.00  0.00    +0.008 A 
ENDBRANCH  13  14
ENDBRANCH   9  13
TORSDOF 2