REMARK  Name = BDB006741
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.539  -2.538   0.232  0.00  0.00    +0.070 C 
ATOM      2  C   LIG    1        1.658  -1.360   0.064  0.00  0.00    +0.093 A 
ATOM      3  C   LIG    1        2.007  -0.027  -0.248  0.00  0.00    +0.170 A 
ATOM      4  N   LIG    1        0.886   0.721  -0.304  0.00  0.00    -0.142 NA
ATOM      5  N   LIG    1       -0.088  -0.188  -0.026  0.00  0.00    -0.149 N 
ATOM      6  N   LIG    1        0.331  -1.459   0.203  0.00  0.00    -0.152 NA
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.461   0.173   0.022  0.00  0.00    +0.086 A 
ATOM      8  C   LIG    1       -2.432  -0.797   0.313  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1       -3.781  -0.440   0.359  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -4.165   0.879   0.116  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -3.203   1.846  -0.173  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -1.851   1.498  -0.222  0.00  0.00    +0.029 A 
ENDBRANCH   5   7
BRANCH   3  13
ATOM     13  C   LIG    1        3.338   0.526  -0.484  0.00  0.00    +0.263 C 
ATOM     14  O   LIG    1        4.373  -0.130  -0.439  0.00  0.00    -0.269 OA
ATOM     15  N   LIG    1        3.352   1.864  -0.766  0.00  0.00    -0.324 N 
ATOM     16  H   LIG    1        4.230   2.328  -0.943  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        2.477   2.374  -0.795  0.00  0.00    +0.145 HD
ENDBRANCH   3  13
TORSDOF 2