REMARK  Name = BDB061047
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.882   0.272  -0.352  0.00  0.00    +0.176 C 
ATOM      2  N   LIG    1        3.438   0.265  -0.494  0.00  0.00    -0.231 N 
ATOM      3  C   LIG    1        2.772   1.430  -0.866  0.00  0.00    +0.287 A 
ATOM      4  O   LIG    1        3.344   2.503  -1.051  0.00  0.00    -0.265 OA
ATOM      5  C   LIG    1        1.294   1.305  -1.015  0.00  0.00    +0.129 A 
ATOM      6 CL   LIG    1        0.416   2.754  -1.388  0.00  0.00    -0.076 Cl
ATOM      7  C   LIG    1        0.649   0.142  -0.842  0.00  0.00    +0.071 A 
ATOM      8  C   LIG    1        1.553  -1.003  -0.568  0.00  0.00    +0.157 A 
ATOM      9  N   LIG    1        2.833  -0.963  -0.396  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   7  10
ATOM     10  N   LIG    1       -0.726  -0.078  -0.949  0.00  0.00    -0.337 N 
ATOM     11  H   LIG    1       -1.219   0.812  -1.098  0.00  0.00    +0.146 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -1.510  -0.904  -0.017  0.00  0.00    +0.085 C 
ATOM     13  C   LIG    1       -1.934  -0.084   1.207  0.00  0.00    +0.103 C 
ATOM     14  N   LIG    1       -3.031   0.737   0.681  0.00  0.00    -0.314 NA
ATOM     15  H   LIG    1       -3.597   1.122   1.437  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1       -3.821  -0.164  -0.161  0.00  0.00    +0.083 C 
ATOM     17  C   LIG    1       -2.854  -1.236  -0.664  0.00  0.00    +0.038 C 
ENDBRANCH  10  12
ENDBRANCH   7  10
TORSDOF 2