REMARK  Name = BDB006803
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.211  -0.198  -0.402  0.00  0.00    -0.310 N 
ATOM      2  H   LIG    1        1.310  -0.796   0.407  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        2.358   0.111  -1.106  0.00  0.00    +0.244 C 
ATOM      4  O   LIG    1        2.360   0.500  -2.268  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.646  -0.089  -0.386  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        4.793  -0.365  -1.140  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        6.013  -0.555  -0.495  0.00  0.00    +0.019 A 
ATOM      8 BR   LIG    1        7.561  -0.940  -1.511  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1        6.105  -0.464   0.893  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        4.967  -0.172   1.646  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        3.738   0.019   1.009  0.00  0.00    +0.013 A 
ENDBRANCH   3   5
BRANCH   1  12
ATOM     12  C   LIG    1       -0.081  -0.209  -1.068  0.00  0.00    +0.119 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -1.235   0.020  -0.078  0.00  0.00    +0.100 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -2.530  -0.060  -0.755  0.00  0.00    -0.310 NA
ATOM     15  H   LIG    1       -2.532   0.577  -1.553  0.00  0.00    +0.122 HD
BRANCH  14  17
ATOM     16  C   LIG    1       -3.769   1.663   0.551  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1       -3.718   0.201   0.078  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1       -4.939  -0.063  -0.825  0.00  0.00    +0.027 C 
ATOM     19  C   LIG    1       -3.799  -0.744   1.288  0.00  0.00    +0.027 C 
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 5