REMARK  Name = BDB006814
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.876   0.128   0.008  0.00  0.00    -0.310 N 
ATOM      2  H   LIG    1        2.147  -0.018   0.972  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        2.765  -0.307  -0.968  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1        2.434  -0.535  -2.126  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        4.182  -0.496  -0.516  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        4.841  -1.565  -1.032  0.00  0.00    -0.250 NA
ATOM      7  C   LIG    1        6.119  -1.750  -0.642  0.00  0.00    +0.112 A 
ATOM      8  C   LIG    1        6.775  -0.920   0.247  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        6.073   0.166   0.755  0.00  0.00    +0.021 A 
ATOM     10 BR   LIG    1        6.919   1.343   1.969  0.00  0.00    -0.050 Br
ATOM     11  C   LIG    1        4.757   0.397   0.378  0.00  0.00    +0.048 A 
ENDBRANCH   3   5
BRANCH   1  12
ATOM     12  C   LIG    1        0.450   0.171  -0.270  0.00  0.00    +0.106 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -0.261   1.125   0.687  0.00  0.00    +0.034 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.761   1.236   0.401  0.00  0.00    +0.083 C 
BRANCH  14  15
ATOM     15  N   LIG    1       -2.430  -0.032   0.685  0.00  0.00    -0.311 NA
ATOM     16  H   LIG    1       -2.311  -0.260   1.673  0.00  0.00    +0.122 HD
BRANCH  15  18
ATOM     17  C   LIG    1       -4.694   0.929   1.124  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1       -3.864  -0.102   0.343  0.00  0.00    +0.011 C 
ATOM     19  C   LIG    1       -4.097   0.070  -1.167  0.00  0.00    +0.027 C 
ATOM     20  C   LIG    1       -4.333  -1.514   0.745  0.00  0.00    +0.027 C 
ENDBRANCH  15  18
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 6