REMARK  Name = BDB017985
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.485  -2.372  -1.959  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        1.541  -2.657  -1.227  0.00  0.00    +0.218 C 
ATOM      3  C   LIG    1        0.966  -1.706  -0.189  0.00  0.00    +0.102 C 
ATOM      4  C   LIG    1        1.090  -0.233  -0.637  0.00  0.00    +0.069 C 
ATOM      5  C   LIG    1       -0.163   0.435  -0.021  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -0.526   1.754  -0.667  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -0.467   2.767   0.292  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1       -0.735   4.087  -0.004  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1       -1.078   4.381  -1.324  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -1.151   3.375  -2.304  0.00  0.00    +0.016 A 
ATOM     11 BR   LIG    1       -1.458   6.171  -1.806  0.00  0.00    -0.050 Br
ATOM     12  N   LIG    1       -0.123   2.243   1.528  0.00  0.00    -0.283 N 
ATOM     13  H   LIG    1       -0.035   2.761   2.389  0.00  0.00    +0.155 HD
ATOM     14  C   LIG    1       -0.875   2.044  -1.976  0.00  0.00    +0.009 A 
ATOM     15  N   LIG    1       -1.180  -0.623  -0.199  0.00  0.00    -0.281 NA
ATOM     16  C   LIG    1        0.055   0.862   1.468  0.00  0.00    +0.243 C 
ATOM     17  O   LIG    1        0.312   0.153   2.429  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -0.537  -1.904   0.118  0.00  0.00    +0.072 C 
ATOM     19  C   LIG    1       -1.172  -3.080  -0.627  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1       -0.219  -4.259  -0.589  0.00  0.00    +0.106 C 
ATOM     21  N   LIG    1        1.000  -3.911  -1.272  0.00  0.00    -0.315 N 
ATOM     22  H   LIG    1        1.410  -4.540  -1.952  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   4  23
ATOM     23  C   LIG    1        2.416   0.487  -0.432  0.00  0.00    -0.004 A 
ATOM     24  C   LIG    1        3.248   0.305   0.681  0.00  0.00    +0.145 A 
ATOM     25  F   LIG    1        2.895  -0.547   1.652  0.00  0.00    -0.204 F 
ATOM     26  C   LIG    1        4.448   1.011   0.814  0.00  0.00    +0.076 A 
ATOM     27 CL   LIG    1        5.453   0.781   2.195  0.00  0.00    -0.081 Cl
ATOM     28  C   LIG    1        4.843   1.918  -0.166  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        4.034   2.116  -1.282  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        2.836   1.409  -1.412  0.00  0.00    +0.007 A 
ENDBRANCH   4  23
BRANCH  15  31
ATOM     31  C   LIG    1       -2.545  -0.412   0.262  0.00  0.00    +0.089 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -2.799  -0.491   1.736  0.00  0.00    +0.003 C 
ATOM     33  C   LIG    1       -3.084  -1.797   2.436  0.00  0.00    +0.005 C 
ATOM     34  C   LIG    1       -4.192  -0.806   2.229  0.00  0.00    +0.005 C 
ENDBRANCH  31  32
ENDBRANCH  15  31
TORSDOF 3