REMARK  Name = BDB058444
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.762   0.692   0.313  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        0.051   0.111   1.371  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -1.341   0.020   1.321  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -2.048   0.500   0.217  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -1.347   1.073  -0.844  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        0.050   1.165  -0.797  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        2.269   0.777   0.362  0.00  0.00    +0.137 C 
BRANCH   7   8
ATOM      8  N   LIG    1        2.830  -0.552   0.162  0.00  0.00    -0.340 N 
ATOM      9  H   LIG    1        2.280  -1.120  -0.478  0.00  0.00    +0.146 HD
BRANCH   8  12
ATOM     10  C   LIG    1        6.529  -0.075   0.361  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.155   0.198   0.452  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        4.204  -0.740   0.036  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        4.670  -1.989  -0.403  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1        6.037  -2.269  -0.471  0.00  0.00    +0.020 A 
ATOM     15 BR   LIG    1        6.617  -3.966  -1.069  0.00  0.00    -0.050 Br
ATOM     16  C   LIG    1        6.977  -1.317  -0.092  0.00  0.00    +0.030 A 
BRANCH  10  18
ATOM     17  O   LIG    1        7.276   1.693   1.758  0.00  0.00    -0.245 OA
ATOM     18  C   LIG    1        7.479   0.972   0.799  0.00  0.00    +0.337 C 
BRANCH  18  19
ATOM     19  O   LIG    1        8.560   1.077  -0.002  0.00  0.00    -0.477 OA
ATOM     20  H   LIG    1        8.517   0.560  -0.828  0.00  0.00    +0.295 HD
ENDBRANCH  18  19
ENDBRANCH  10  18
ENDBRANCH   8  12
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  21
ATOM     21  O   LIG    1       -3.404   0.347   0.300  0.00  0.00    -0.487 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.182   0.841  -0.786  0.00  0.00    +0.264 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.636   0.583  -0.472  0.00  0.00    -0.010 A 
ATOM     24  C   LIG    1       -6.382   1.522   0.258  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -7.722   1.276   0.563  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1       -8.312   0.089   0.147  0.00  0.00    +0.123 A 
ATOM     27  F   LIG    1       -9.598  -0.146   0.441  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1       -7.588  -0.860  -0.564  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -6.248  -0.616  -0.871  0.00  0.00    +0.010 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 8