REMARK  Name = BDB006172
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.801  -0.114   0.044  0.00  0.00    +0.048 A 
ATOM      2  N   LIG    1        2.465  -0.876  -0.911  0.00  0.00    -0.265 N 
ATOM      3  N   LIG    1        1.651  -1.747  -1.574  0.00  0.00    -0.166 NA
ATOM      4  C   LIG    1        0.461  -1.510  -1.036  0.00  0.00    +0.153 A 
ATOM      5  C   LIG    1       -0.875  -2.038  -1.212  0.00  0.00    +0.272 C 
ATOM      6  N   LIG    1       -1.667  -1.314  -0.279  0.00  0.00    -0.252 N 
ATOM      7  C   LIG    1       -0.873  -0.303   0.481  0.00  0.00    +0.146 C 
ATOM      8  O   LIG    1       -1.197  -2.925  -1.986  0.00  0.00    -0.268 OA
ATOM      9  C   LIG    1        0.489  -0.520  -0.067  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1       -1.214   1.142   0.154  0.00  0.00    -0.019 A 
ATOM     11  C   LIG    1       -1.227   2.094   1.188  0.00  0.00    +0.045 A 
ATOM     12  C   LIG    1       -1.522   3.429   0.920  0.00  0.00    +0.142 A 
ATOM     13  F   LIG    1       -1.516   4.304   1.937  0.00  0.00    -0.204 F 
ATOM     14  C   LIG    1       -1.812   3.846  -0.375  0.00  0.00    +0.076 A 
ATOM     15 CL   LIG    1       -2.173   5.495  -0.711  0.00  0.00    -0.081 Cl
ATOM     16  C   LIG    1       -1.809   2.918  -1.415  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1       -1.512   1.576  -1.153  0.00  0.00    +0.007 A 
ENDBRANCH   7  10
BRANCH   6  18
ATOM     18  C   LIG    1       -3.067  -1.515  -0.051  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1       -3.733  -0.954   1.055  0.00  0.00    +0.163 A 
ATOM     20  F   LIG    1       -3.052  -0.249   1.974  0.00  0.00    -0.202 F 
ATOM     21  C   LIG    1       -5.105  -1.141   1.258  0.00  0.00    +0.078 A 
ATOM     22 CL   LIG    1       -5.889  -0.442   2.624  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1       -5.852  -1.898   0.363  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -5.218  -2.470  -0.734  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -3.844  -2.281  -0.936  0.00  0.00    +0.026 A 
ENDBRANCH   6  18
BRANCH   1  27
ATOM     26  C   LIG    1        3.543   0.398   1.815  0.00  0.00    +0.014 C 
ATOM     27  C   LIG    1        2.391   0.922   0.962  0.00  0.00    +0.032 C 
ATOM     28  C   LIG    1        2.757   2.206   0.221  0.00  0.00    +0.014 C 
ENDBRANCH   1  27
BRANCH   2  29
ATOM     29  C   LIG    1        3.862  -0.871  -1.293  0.00  0.00    +0.171 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.606  -2.084  -0.757  0.00  0.00    +0.179 C 
BRANCH  30  31
ATOM     31  O   LIG    1        5.987  -2.012  -1.107  0.00  0.00    -0.393 OA
ATOM     32  H   LIG    1        6.063  -2.272  -2.042  0.00  0.00    +0.209 HD
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH   2  29
TORSDOF 6