REMARK  Name = BDB056909
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.602  -2.200   2.210  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -2.676  -1.452   1.234  0.00  0.00    +0.257 A 
ATOM      3  C   LIG    1       -3.926  -0.700   1.023  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -4.415  -0.307  -0.214  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1       -5.666   0.332  -0.307  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -6.417   0.600   0.836  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -5.931   0.219   2.080  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.713  -0.549  -1.475  0.00  0.00    +0.196 A 
ATOM      9  O   LIG    1       -4.354  -0.923  -2.453  0.00  0.00    -0.287 OA
ATOM     10  C   LIG    1       -2.293  -0.204  -1.628  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -1.295  -0.561  -0.714  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1        0.061  -0.261  -1.038  0.00  0.00    +0.063 A 
ATOM     13  C   LIG    1        0.354   0.416  -2.241  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -0.652   0.774  -3.129  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -1.967   0.454  -2.828  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1       -4.699  -0.433   2.171  0.00  0.00    +0.014 A 
ATOM     17  N   LIG    1       -1.556  -1.273   0.472  0.00  0.00    -0.321 N 
ATOM     18  H   LIG    1       -0.752  -1.698   0.940  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  12  19
ATOM     19  C   LIG    1        1.167  -0.632  -0.152  0.00  0.00    +0.251 A 
ATOM     20  O   LIG    1        2.415  -0.153  -0.456  0.00  0.00    -0.416 OA
ATOM     21  C   LIG    1        3.186  -0.700   0.535  0.00  0.00    +0.250 A 
ATOM     22  N   LIG    1        2.471  -1.409   1.387  0.00  0.00    -0.107 NA
ATOM     23  N   LIG    1        1.169  -1.376   0.936  0.00  0.00    -0.107 NA
BRANCH  21  24
ATOM     24  C   LIG    1        4.606  -0.370   0.568  0.00  0.00    +0.057 A 
ATOM     25  C   LIG    1        5.384  -0.062  -0.561  0.00  0.00    +0.053 A 
ATOM     26 CL   LIG    1        4.769  -0.090  -2.181  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1        6.744   0.252  -0.423  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1        7.347   0.257   0.833  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        6.596  -0.060   1.959  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.241  -0.372   1.826  0.00  0.00    +0.015 A 
ENDBRANCH  21  24
ENDBRANCH  12  19
TORSDOF 2