REMARK  Name = BDB055825
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.356   0.683  -0.859  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -1.657   0.010   0.118  0.00  0.00    +0.308 C 
ATOM      3  N   LIG    1       -2.950  -0.373   0.452  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -3.076  -0.681   1.404  0.00  0.00    +0.156 HD
ATOM      5  N   LIG    1       -0.758  -0.485   1.052  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1       -1.088  -1.254   1.614  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -4.123  -0.168  -0.301  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1       -5.345  -0.467   0.318  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -6.574  -0.305  -0.355  0.00  0.00    +0.075 A 
ATOM     10  C   LIG    1       -6.558   0.160  -1.673  0.00  0.00    +0.053 A 
ATOM     11 CL   LIG    1       -8.005   0.391  -2.584  0.00  0.00    -0.083 Cl
ATOM     12  C   LIG    1       -5.345   0.453  -2.299  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1       -4.135   0.287  -1.618  0.00  0.00    +0.025 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -7.864  -0.634   0.346  0.00  0.00    +0.419 C 
ATOM     15  F   LIG    1       -8.570  -1.622  -0.267  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -8.701   0.432   0.458  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1       -7.671  -1.074   1.626  0.00  0.00    -0.166 F 
ENDBRANCH   9  14
ENDBRANCH   3   7
BRANCH   5  18
ATOM     18  C   LIG    1        0.621  -0.203   1.139  0.00  0.00    +0.035 A 
ATOM     19  C   LIG    1        1.383  -0.988   2.014  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1        2.755  -0.763   2.161  0.00  0.00    +0.048 A 
ATOM     21  C   LIG    1        3.380   0.247   1.430  0.00  0.00    +0.131 A 
ATOM     22  C   LIG    1        2.622   1.058   0.585  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1        1.249   0.827   0.436  0.00  0.00    +0.027 A 
BRANCH  21  24
ATOM     24  O   LIG    1        4.726   0.415   1.647  0.00  0.00    -0.437 OA
BRANCH  24  25
ATOM     25  C   LIG    1        5.494   0.772   0.557  0.00  0.00    +0.234 A 
ATOM     26  C   LIG    1        5.661   0.060  -0.626  0.00  0.00    +0.100 A 
ATOM     27  C   LIG    1        6.521   0.466  -1.678  0.00  0.00    +0.188 A 
ATOM     28  N   LIG    1        6.483  -0.404  -2.691  0.00  0.00    -0.154 NA
ATOM     29  N   LIG    1        5.614  -1.347  -2.274  0.00  0.00    -0.282 N 
ATOM     30  H   LIG    1        5.421  -2.124  -2.898  0.00  0.00    +0.188 HD
ATOM     31  N   LIG    1        7.260   1.596  -1.597  0.00  0.00    -0.214 NA
ATOM     32  C   LIG    1        7.063   2.224  -0.406  0.00  0.00    +0.227 A 
ATOM     33  C   LIG    1        5.097  -1.123  -1.026  0.00  0.00    +0.120 A 
ATOM     34  N   LIG    1        6.258   1.892   0.653  0.00  0.00    -0.200 NA
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   5  18
TORSDOF 5