REMARK  Name = BDB042796
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.057   1.106   1.305  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        3.932   0.880   0.874  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1        3.365  -0.474   0.903  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        2.071  -0.666   0.431  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1        1.483  -1.937   0.414  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1        0.216  -2.158  -0.141  0.00  0.00    -0.336 N 
ATOM      7  H   LIG    1       -0.205  -3.034   0.161  0.00  0.00    +0.147 HD
ATOM      8  C   LIG    1       -0.707  -1.012  -0.034  0.00  0.00    +0.121 C 
ATOM      9  C   LIG    1       -0.073   0.267  -0.632  0.00  0.00    +0.095 C 
ATOM     10  C   LIG    1        2.259  -3.023   0.832  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        3.551  -2.823   1.317  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1        4.265  -3.877   1.732  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        1.340   0.499  -0.091  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1        1.872   1.685  -0.157  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1        4.114  -1.556   1.365  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1        3.134   1.856   0.327  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1        3.509   2.799   0.286  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -0.977   1.494  -0.485  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1       -1.272   2.120   0.740  0.00  0.00    +0.045 A 
ATOM     20 CL   LIG    1       -0.640   1.566   2.251  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -2.121   3.233   0.784  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -2.688   3.737  -0.385  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -2.409   3.130  -1.604  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -1.562   2.021  -1.654  0.00  0.00    +0.006 A 
ENDBRANCH   9  18
BRANCH   8  25
ATOM     25  C   LIG    1       -1.991  -1.378  -0.768  0.00  0.00    +0.131 C 
ATOM     26  C   LIG    1       -2.945  -2.376  -0.154  0.00  0.00    +0.045 C 
ATOM     27  C   LIG    1       -3.334  -0.930  -0.244  0.00  0.00    +0.045 C 
ATOM     28  F   LIG    1       -1.897  -1.451  -2.156  0.00  0.00    -0.240 F 
ENDBRANCH   8  25
TORSDOF 2