REMARK  Name = BDB057253
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.667  -0.133  -0.264  0.00  0.00    -0.485 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.642   0.257  -0.183  0.00  0.00    +0.123 A 
ATOM      3  C   LIG    1       -1.215   0.632  -1.401  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1       -2.544   1.049  -1.452  0.00  0.00    +0.044 A 
ATOM      5 CL   LIG    1       -3.239   1.508  -2.958  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.314   1.096  -0.293  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -2.746   0.723   0.925  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -1.413   0.304   0.981  0.00  0.00    +0.046 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      9  C   LIG    1        1.298  -0.524   0.955  0.00  0.00    +0.299 C 
BRANCH   9  12
ATOM     10  N   LIG    1        3.627  -0.880   1.583  0.00  0.00    -0.287 NA
ATOM     11  H   LIG    1        4.520  -1.221   1.219  0.00  0.00    +0.188 HD
ATOM     12  C   LIG    1        2.740  -0.927   0.644  0.00  0.00    +0.122 C 
BRANCH  12  13
ATOM     13  N   LIG    1        3.064  -1.349  -0.615  0.00  0.00    -0.344 N 
ATOM     14  H   LIG    1        2.382  -1.071  -1.320  0.00  0.00    +0.143 HD
ATOM     15  H   LIG    1        4.016  -1.175  -0.909  0.00  0.00    +0.143 HD
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   1   9
TORSDOF 4