REMARK  Name = BDB006791
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.913  -0.204  -0.105  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1        2.055   0.387   0.703  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        3.014  -0.855  -0.627  0.00  0.00    +0.244 C 
ATOM      4  O   LIG    1        2.938  -1.843  -1.348  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        4.345  -0.317  -0.232  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        5.436  -1.195  -0.208  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        6.694  -0.722   0.156  0.00  0.00    +0.019 A 
ATOM      8 BR   LIG    1        8.166  -1.907   0.201  0.00  0.00    -0.050 Br
ATOM      9  C   LIG    1        6.880   0.620   0.488  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        5.798   1.500   0.449  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        4.531   1.035   0.086  0.00  0.00    +0.013 A 
ENDBRANCH   3   5
BRANCH   1  12
ATOM     12  C   LIG    1        0.583  -0.738  -0.323  0.00  0.00    +0.106 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -0.494   0.260   0.086  0.00  0.00    +0.034 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.892  -0.306  -0.173  0.00  0.00    +0.083 C 
BRANCH  14  15
ATOM     15  N   LIG    1       -2.895   0.676   0.239  0.00  0.00    -0.311 NA
ATOM     16  H   LIG    1       -2.751   0.917   1.220  0.00  0.00    +0.122 HD
BRANCH  15  18
ATOM     17  C   LIG    1       -4.696  -0.915   0.909  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1       -4.304   0.289   0.036  0.00  0.00    +0.011 C 
ATOM     19  C   LIG    1       -5.147   1.503   0.473  0.00  0.00    +0.027 C 
ATOM     20  C   LIG    1       -4.615  -0.009  -1.440  0.00  0.00    +0.027 C 
ENDBRANCH  15  18
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 6