REMARK  Name = BDB006806
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.764   0.409  -0.679  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1        2.246   0.443  -1.568  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        2.493   0.308   0.484  0.00  0.00    +0.245 C 
ATOM      4  O   LIG    1        1.990   0.243   1.601  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.967   0.191   0.335  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        4.751   0.972  -0.525  0.00  0.00    +0.030 A 
ATOM      7 BR   LIG    1        4.061   2.384  -1.593  0.00  0.00    -0.050 Br
ATOM      8  C   LIG    1        6.135   0.758  -0.591  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1        6.739  -0.219   0.201  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        5.968  -0.984   1.072  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.590  -0.777   1.142  0.00  0.00    +0.014 A 
ENDBRANCH   3   5
BRANCH   1  12
ATOM     12  C   LIG    1        0.317   0.516  -0.674  0.00  0.00    +0.106 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -0.346  -0.847  -0.483  0.00  0.00    +0.034 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.869  -0.800  -0.647  0.00  0.00    +0.083 C 
BRANCH  14  15
ATOM     15  N   LIG    1       -2.477   0.094   0.333  0.00  0.00    -0.311 NA
ATOM     16  H   LIG    1       -2.128  -0.134   1.266  0.00  0.00    +0.122 HD
BRANCH  15  18
ATOM     17  C   LIG    1       -4.327   1.256   1.347  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1       -3.950   0.139   0.355  0.00  0.00    +0.011 C 
ATOM     19  C   LIG    1       -4.543   0.490  -1.019  0.00  0.00    +0.027 C 
ATOM     20  C   LIG    1       -4.547  -1.185   0.862  0.00  0.00    +0.027 C 
ENDBRANCH  15  18
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 6