REMARK  Name = BDB053574
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.558  -0.586   0.747  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1        0.754   0.104   1.664  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1       -0.516  -0.374   2.003  0.00  0.00    +0.085 A 
ATOM      4 CL   LIG    1       -1.429   0.505   3.176  0.00  0.00    -0.080 Cl
ATOM      5  C   LIG    1       -0.998  -1.543   1.410  0.00  0.00    +0.147 A 
ATOM      6  C   LIG    1       -0.190  -2.254   0.521  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1        1.078  -1.771   0.184  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  10
ATOM      8  O   LIG    1        3.683  -1.508  -1.106  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        3.783  -0.503  -0.411  0.00  0.00    +0.252 C 
ATOM     10  N   LIG    1        2.821  -0.032   0.460  0.00  0.00    -0.281 N 
ATOM     11  H   LIG    1        3.058   0.827   0.952  0.00  0.00    +0.155 HD
BRANCH   9  12
ATOM     12  C   LIG    1        5.050   0.300  -0.503  0.00  0.00    +0.081 A 
ATOM     13  C   LIG    1        5.303   1.479   0.217  0.00  0.00    +0.147 A 
ATOM     14  C   LIG    1        6.523   2.154   0.057  0.00  0.00    +0.084 A 
ATOM     15 CL   LIG    1        6.835   3.603   0.942  0.00  0.00    -0.080 Cl
ATOM     16  C   LIG    1        7.498   1.672  -0.811  0.00  0.00    +0.043 A 
ATOM     17  C   LIG    1        7.251   0.505  -1.525  0.00  0.00    +0.043 A 
ATOM     18 CL   LIG    1        8.448  -0.101  -2.602  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1        6.043  -0.177  -1.377  0.00  0.00    +0.036 A 
BRANCH  13  20
ATOM     20  O   LIG    1        4.362   1.986   1.083  0.00  0.00    -0.505 OA
ATOM     21  H   LIG    1        4.738   2.800   1.478  0.00  0.00    +0.292 HD
ENDBRANCH  13  20
ENDBRANCH   9  12
ENDBRANCH   1  10
BRANCH   5  22
ATOM     22  O   LIG    1       -2.223  -2.088   1.713  0.00  0.00    -0.453 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -3.345  -1.436   1.241  0.00  0.00    +0.143 A 
ATOM     24  C   LIG    1       -4.502  -1.473   2.025  0.00  0.00    +0.061 A 
ATOM     25 BR   LIG    1       -4.533  -2.353   3.708  0.00  0.00    -0.046 Br
ATOM     26  C   LIG    1       -5.674  -0.849   1.588  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1       -5.711  -0.187   0.352  0.00  0.00    -0.017 A 
ATOM     28  C   LIG    1       -4.550  -0.161  -0.456  0.00  0.00    -0.014 A 
ATOM     29  C   LIG    1       -4.593   0.495  -1.697  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1       -5.762   1.119  -2.134  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -6.903   1.096  -1.338  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -6.878   0.447  -0.103  0.00  0.00    +0.008 A 
ATOM     33  C   LIG    1       -3.380  -0.793  -0.004  0.00  0.00    +0.056 A 
ENDBRANCH  22  23
ENDBRANCH   5  22
TORSDOF 5