REMARK  Name = BDB004081
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.437  -1.547  -2.734  0.00  0.00    -0.300 NA
ATOM      2  C   LIG    1       -1.895  -0.205  -2.377  0.00  0.00    +0.102 C 
ATOM      3  C   LIG    1       -2.483  -0.752  -1.053  0.00  0.00    +0.081 C 
ATOM      4  C   LIG    1       -4.008  -0.526  -0.807  0.00  0.00    +0.232 C 
ATOM      5  O   LIG    1       -4.933  -0.708  -1.590  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1       -4.159  -0.043   0.468  0.00  0.00    -0.230 N 
ATOM      7  C   LIG    1       -2.966   0.205   1.100  0.00  0.00    +0.224 C 
ATOM      8  O   LIG    1       -2.823   0.714   2.202  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -1.824  -0.257   0.229  0.00  0.00    +0.115 C 
ATOM     10  C   LIG    1       -2.048  -2.151  -1.551  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -5.424   0.433   1.016  0.00  0.00    +0.170 C 
ATOM     12  C   LIG    1       -5.801   1.750   0.329  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -4.987   2.488  -0.224  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -7.127   2.112   0.421  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -7.379   2.986  -0.021  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -8.169   1.372   0.921  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -9.320   1.798   0.890  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -7.815   0.050   1.565  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -6.577  -0.563   0.926  0.00  0.00    +0.041 C 
ENDBRANCH   6  11
BRANCH   1  20
ATOM     20  C   LIG    1        0.020  -1.692  -2.810  0.00  0.00    +0.084 C 
BRANCH  20  21
ATOM     21  C   LIG    1        0.892  -1.267  -1.615  0.00  0.00    +0.015 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.378  -1.492  -1.919  0.00  0.00    +0.002 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.291  -1.215  -0.723  0.00  0.00    +0.011 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.287   0.244  -0.280  0.00  0.00    +0.120 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.296   0.455   0.820  0.00  0.00    +0.308 C 
ATOM     26  O   LIG    1        4.053   0.273   2.003  0.00  0.00    -0.251 OA
BRANCH  25  27
ATOM     27  O   LIG    1        5.490   0.830   0.290  0.00  0.00    -0.459 OA
BRANCH  27  29
ATOM     28  C   LIG    1        7.056  -0.210   1.881  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1        6.638   1.067   1.145  0.00  0.00    +0.105 C 
ATOM     30  C   LIG    1        7.765   1.469   0.180  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1        6.383   2.229   2.111  0.00  0.00    +0.055 C 
ENDBRANCH  27  29
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 9