REMARK  Name = BDB056731
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.621   1.661   0.603  0.00  0.00    +0.222 A 
ATOM      2  N   LIG    1        1.557   0.860   0.855  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1        0.622   0.938  -0.113  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1        0.650   1.719  -1.260  0.00  0.00    +0.109 A 
ATOM      5  N   LIG    1       -0.480   1.526  -2.010  0.00  0.00    -0.227 NA
ATOM      6  C   LIG    1       -1.212   0.653  -1.335  0.00  0.00    +0.149 A 
ATOM      7  C   LIG    1        1.764   2.541  -1.467  0.00  0.00    +0.037 A 
ATOM      8  N   LIG    1       -0.566   0.262  -0.179  0.00  0.00    -0.313 N 
ATOM      9  C   LIG    1       -1.038  -0.678   0.806  0.00  0.00    +0.152 C 
ATOM     10  C   LIG    1        2.768   2.507  -0.497  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1        3.609   1.666   1.570  0.00  0.00    -0.438 OA
BRANCH  11  17
ATOM     12  C   LIG    1        8.410  -1.238   0.679  0.00  0.00    +0.047 C 
ATOM     13  C   LIG    1        7.143  -0.466   0.884  0.00  0.00    -0.015 A 
ATOM     14  C   LIG    1        5.937  -0.940   0.358  0.00  0.00    +0.130 A 
ATOM     15  F   LIG    1        5.922  -2.079  -0.349  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        4.738  -0.260   0.556  0.00  0.00    +0.085 A 
ATOM     17  C   LIG    1        4.737   0.924   1.295  0.00  0.00    +0.133 A 
ATOM     18  C   LIG    1        5.929   1.394   1.854  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        7.127   0.704   1.650  0.00  0.00    +0.010 A 
ENDBRANCH  11  17
ENDBRANCH   1  11
BRANCH   6  20
ATOM     20  C   LIG    1       -2.544   0.125  -1.768  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.454   0.324  -0.688  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.729  -0.139  -0.855  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -5.548  -0.005   0.270  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1       -6.879  -0.439   0.239  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1       -7.393  -1.010  -0.929  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -6.579  -1.142  -2.054  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -5.251  -0.707  -2.019  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -7.698  -0.277   1.464  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -7.316   0.184   2.523  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -8.964  -0.702   1.305  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -9.378  -0.531   2.177  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 7