REMARK  Name = BDB042756
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.159  -3.325   0.318  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -2.342  -2.412   0.346  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -2.736  -1.030   0.041  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.761  -0.039   0.063  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -2.072   1.297  -0.227  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1       -1.109   2.320  -0.143  0.00  0.00    -0.342 N 
ATOM      7  H   LIG    1       -1.363   3.134  -0.704  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        0.254   1.852  -0.415  0.00  0.00    +0.116 C 
ATOM      9  C   LIG    1        0.644   0.700   0.522  0.00  0.00    +0.090 C 
ATOM     10  C   LIG    1       -3.411   1.622  -0.466  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -4.384   0.622  -0.489  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1       -5.657   0.954  -0.743  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -0.387  -0.422   0.428  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1       -0.055  -1.644   0.729  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1       -4.061  -0.706  -0.247  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1       -1.019  -2.607   0.664  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1       -0.727  -3.554   0.889  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        2.068   0.236   0.267  0.00  0.00    -0.002 A 
ATOM     19  C   LIG    1        2.449  -0.307  -0.968  0.00  0.00    +0.129 A 
ATOM     20  F   LIG    1        1.550  -0.407  -1.957  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        3.748  -0.743  -1.205  0.00  0.00    +0.058 A 
ATOM     22  C   LIG    1        4.693  -0.640  -0.191  0.00  0.00    +0.044 A 
ATOM     23 CL   LIG    1        6.305  -1.173  -0.468  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        4.344  -0.107   1.050  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        3.036   0.329   1.280  0.00  0.00    +0.008 A 
ENDBRANCH   9  18
TORSDOF 1