REMARK  Name = BDB006804
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.751   0.480  -0.262  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1        2.042   1.396   0.049  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        2.691  -0.494  -0.528  0.00  0.00    +0.244 C 
ATOM      4  O   LIG    1        2.412  -1.586  -1.012  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        4.107  -0.149  -0.226  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1        4.454   0.733   0.806  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1        5.799   1.023   1.053  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        6.797   0.430   0.280  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        6.456  -0.461  -0.737  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        5.115  -0.754  -0.987  0.00  0.00    +0.013 A 
ENDBRANCH   3   5
BRANCH   1  11
ATOM     11  C   LIG    1        0.338   0.259  -0.499  0.00  0.00    +0.106 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -0.326  -0.432   0.689  0.00  0.00    +0.034 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -1.789  -0.812   0.434  0.00  0.00    +0.083 C 
BRANCH  13  14
ATOM     14  N   LIG    1       -2.629   0.373   0.252  0.00  0.00    -0.311 NA
ATOM     15  H   LIG    1       -2.351   0.850  -0.605  0.00  0.00    +0.122 HD
BRANCH  14  17
ATOM     16  C   LIG    1       -4.471  -0.818  -0.951  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1       -4.085   0.128   0.199  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1       -4.618  -0.420   1.533  0.00  0.00    +0.027 C 
ATOM     19  C   LIG    1       -4.742   1.499  -0.055  0.00  0.00    +0.027 C 
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   1  11
TORSDOF 6