REMARK  Name = BDB017980
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.456  -2.571  -2.135  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        1.256  -2.308  -2.106  0.00  0.00    +0.218 C 
ATOM      3  C   LIG    1        0.577  -1.779  -0.854  0.00  0.00    +0.102 C 
ATOM      4  C   LIG    1        1.092  -0.388  -0.457  0.00  0.00    +0.069 C 
ATOM      5  C   LIG    1       -0.014   0.083   0.515  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -0.026   1.574   0.770  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        0.197   1.818   2.127  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1        0.249   3.091   2.654  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1        0.064   4.152   1.767  0.00  0.00    +0.043 A 
ATOM     10  C   LIG    1       -0.170   3.928   0.399  0.00  0.00    +0.020 A 
ATOM     11 CL   LIG    1        0.115   5.768   2.361  0.00  0.00    -0.083 Cl
ATOM     12  N   LIG    1        0.332   0.623   2.818  0.00  0.00    -0.283 N 
ATOM     13  H   LIG    1        0.474   0.530   3.813  0.00  0.00    +0.155 HD
ATOM     14  C   LIG    1       -0.220   2.626  -0.110  0.00  0.00    +0.009 A 
ATOM     15  N   LIG    1       -1.276  -0.397  -0.113  0.00  0.00    -0.281 NA
ATOM     16  C   LIG    1        0.199  -0.474   1.972  0.00  0.00    +0.243 C 
ATOM     17  O   LIG    1        0.228  -1.642   2.329  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -0.949  -1.588  -0.927  0.00  0.00    +0.072 C 
ATOM     19  C   LIG    1       -1.446  -1.346  -2.356  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1       -0.925  -2.444  -3.256  0.00  0.00    +0.106 C 
ATOM     21  N   LIG    1        0.511  -2.466  -3.234  0.00  0.00    -0.315 N 
ATOM     22  H   LIG    1        1.016  -2.889  -4.006  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   4  23
ATOM     23  C   LIG    1        2.518  -0.281   0.061  0.00  0.00    -0.003 A 
ATOM     24  C   LIG    1        3.269   0.868  -0.240  0.00  0.00    +0.145 A 
ATOM     25  F   LIG    1        2.712   1.833  -0.989  0.00  0.00    -0.204 F 
ATOM     26  C   LIG    1        4.577   1.026   0.222  0.00  0.00    +0.077 A 
ATOM     27 CL   LIG    1        5.470   2.451  -0.154  0.00  0.00    -0.081 Cl
ATOM     28  C   LIG    1        5.170   0.036   0.998  0.00  0.00    +0.038 A 
ATOM     29  C   LIG    1        4.441  -1.110   1.304  0.00  0.00    +0.020 A 
ATOM     30 BR   LIG    1        5.232  -2.461   2.366  0.00  0.00    -0.050 Br
ATOM     31  C   LIG    1        3.130  -1.273   0.844  0.00  0.00    +0.022 A 
ENDBRANCH   4  23
BRANCH  15  32
ATOM     32  C   LIG    1       -2.397  -0.576   0.813  0.00  0.00    +0.089 C 
BRANCH  32  33
ATOM     33  C   LIG    1       -3.695  -0.640   0.061  0.00  0.00    +0.003 C 
ATOM     34  C   LIG    1       -4.243   0.583  -0.633  0.00  0.00    +0.005 C 
ATOM     35  C   LIG    1       -4.924   0.054   0.597  0.00  0.00    +0.005 C 
ENDBRANCH  32  33
ENDBRANCH  15  32
TORSDOF 3