REMARK  Name = BDB012949
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.433   1.279  -0.556  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1       -0.846   0.441  -0.658  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -1.479   0.580   0.654  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -2.701   0.057   1.051  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1       -3.285   0.493   2.040  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -0.920   1.721   1.369  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1       -0.001   2.414   0.369  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -3.269  -1.002   0.258  0.00  0.00    +0.121 A 
ATOM      9  N   LIG    1       -2.616  -2.127  -0.164  0.00  0.00    -0.271 N 
ATOM     10  H   LIG    1       -1.653  -2.391   0.016  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1       -3.375  -2.963  -0.892  0.00  0.00    -0.166 NA
ATOM     12  C   LIG    1       -4.577  -2.390  -0.853  0.00  0.00    +0.128 A 
ATOM     13 BR   LIG    1       -6.104  -3.121  -1.665  0.00  0.00    -0.027 Br
ATOM     14  C   LIG    1       -4.581  -1.183  -0.141  0.00  0.00    +0.069 A 
ENDBRANCH   4   8
BRANCH   1  17
ATOM     15  O   LIG    1        3.201   1.837  -0.856  0.00  0.00    -0.276 OA
ATOM     16  C   LIG    1        2.837   0.915  -0.143  0.00  0.00    +0.216 C 
ATOM     17  N   LIG    1        1.533   0.520   0.028  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1        1.335  -0.131   0.777  0.00  0.00    +0.149 HD
BRANCH  16  19
ATOM     19  C   LIG    1        3.817   0.147   0.664  0.00  0.00    +0.075 C 
ATOM     20  C   LIG    1        4.923  -0.609  -0.034  0.00  0.00    +0.013 C 
ATOM     21  C   LIG    1        3.832  -1.364   0.664  0.00  0.00    +0.013 C 
ENDBRANCH  16  19
ENDBRANCH   1  17
TORSDOF 3