REMARK  Name = BDB008943
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.686  -1.731  -2.494  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        1.840  -1.521  -1.630  0.00  0.00    +0.268 A 
ATOM      3  C   LIG    1        2.012  -0.457  -0.609  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        3.283   0.344  -0.689  0.00  0.00    +0.041 C 
ATOM      5  C   LIG    1        3.246   1.605   0.174  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1        2.656   1.306   1.546  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1        1.233   0.749   1.430  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1        1.066  -0.257   0.326  0.00  0.00    -0.016 A 
ATOM      9  C   LIG    1       -0.166  -1.104   0.226  0.00  0.00    +0.069 A 
ATOM     10  N   LIG    1       -0.314  -2.057  -0.646  0.00  0.00    -0.175 NA
ATOM     11  N   LIG    1        0.695  -2.262  -1.531  0.00  0.00    -0.243 N 
ATOM     12  H   LIG    1        0.553  -2.992  -2.221  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -1.341  -0.854   1.173  0.00  0.00    +0.093 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.556  -0.317   0.449  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1       -3.610  -1.121  -0.004  0.00  0.00    +0.039 A 
ATOM     16 BR   LIG    1       -3.691  -2.995   0.262  0.00  0.00    -0.048 Br
ATOM     17  C   LIG    1       -4.665  -0.515  -0.680  0.00  0.00    +0.126 A 
ATOM     18  N   LIG    1       -4.747   0.813  -0.935  0.00  0.00    -0.262 NA
ATOM     19  C   LIG    1       -3.722   1.569  -0.500  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1       -2.625   1.060   0.181  0.00  0.00    +0.025 A 
ENDBRANCH  13  14
ENDBRANCH   9  13
TORSDOF 2