REMARK  Name = BDB053577
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.112  -0.885   1.743  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.381  -0.279   0.710  0.00  0.00    +0.252 C 
ATOM      3  N   LIG    1       -0.510   0.124  -0.268  0.00  0.00    -0.281 N 
ATOM      4  H   LIG    1       -0.126   0.456  -1.143  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.820   0.004   0.445  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        2.805  -0.850   0.974  0.00  0.00    +0.147 A 
ATOM      7  C   LIG    1        4.158  -0.603   0.710  0.00  0.00    +0.084 A 
ATOM      8 CL   LIG    1        5.401  -1.636   1.319  0.00  0.00    -0.080 Cl
ATOM      9  C   LIG    1        4.537   0.501  -0.055  0.00  0.00    +0.043 A 
ATOM     10  C   LIG    1        3.560   1.362  -0.547  0.00  0.00    +0.043 A 
ATOM     11 CL   LIG    1        4.024   2.737  -1.471  0.00  0.00    -0.083 Cl
ATOM     12  C   LIG    1        2.208   1.127  -0.300  0.00  0.00    +0.036 A 
BRANCH   6  13
ATOM     13  O   LIG    1        2.478  -1.936   1.749  0.00  0.00    -0.505 OA
ATOM     14  H   LIG    1        1.537  -1.857   2.026  0.00  0.00    +0.292 HD
ENDBRANCH   6  13
ENDBRANCH   2   5
BRANCH   3  15
ATOM     15  C   LIG    1       -1.919   0.019  -0.232  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1       -2.643  -0.414   0.880  0.00  0.00    +0.043 A 
ATOM     17  C   LIG    1       -4.037  -0.478   0.825  0.00  0.00    +0.043 A 
ATOM     18 CL   LIG    1       -4.924  -1.011   2.202  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1       -4.723  -0.113  -0.331  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -4.009   0.325  -1.443  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -2.614   0.391  -1.392  0.00  0.00    +0.023 A 
ENDBRANCH   3  15
TORSDOF 3