REMARK  Name = BDB023683
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.135  -1.376   0.222  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -1.111  -1.250   1.599  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -0.055  -1.871   2.396  0.00  0.00    +0.139 C 
ATOM      4  C   LIG    1       -0.584  -1.887   3.830  0.00  0.00    +0.062 C 
ATOM      5  C   LIG    1       -1.580  -0.731   3.874  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -2.154  -0.687   2.455  0.00  0.00    +0.139 C 
ATOM      7  O   LIG    1       -0.176  -1.891  -0.362  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.217  -1.044   2.209  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1        2.067  -1.299   1.157  0.00  0.00    -0.316 N 
ATOM     10  H   LIG    1        1.577  -1.590   0.305  0.00  0.00    +0.148 HD
ATOM     11  C   LIG    1        3.020  -0.186   1.067  0.00  0.00    +0.134 C 
ATOM     12  C   LIG    1        4.446  -0.727   1.123  0.00  0.00    +0.047 C 
ATOM     13  C   LIG    1        2.674   0.532   2.411  0.00  0.00    +0.265 C 
ATOM     14  O   LIG    1        3.308   1.451   2.912  0.00  0.00    -0.271 OA
ATOM     15  N   LIG    1        1.524  -0.022   2.962  0.00  0.00    -0.166 NA
BRANCH  11  16
ATOM     16  C   LIG    1        2.775   0.648  -0.191  0.00  0.00    -0.015 A 
ATOM     17  C   LIG    1        2.725   2.054  -0.158  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        2.511   2.798  -1.323  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        2.349   2.148  -2.542  0.00  0.00    +0.018 A 
ATOM     20 BR   LIG    1        2.029   3.155  -4.108  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1        2.418   0.762  -2.611  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        2.640   0.020  -1.447  0.00  0.00    +0.007 A 
ENDBRANCH  11  16
ENDBRANCH   3   8
BRANCH   5  23
ATOM     23  O   LIG    1       -0.948   0.497   4.215  0.00  0.00    -0.390 OA
ATOM     24  H   LIG    1       -0.054   0.525   3.814  0.00  0.00    +0.210 HD
ENDBRANCH   5  23
BRANCH   1  25
ATOM     25  C   LIG    1       -2.362  -0.832  -0.531  0.00  0.00    +0.146 C 
BRANCH  25  30
ATOM     26  C   LIG    1       -1.302   4.169  -0.829  0.00  0.00    +0.069 C 
ATOM     27  C   LIG    1       -1.909   2.825  -0.718  0.00  0.00    +0.081 A 
ATOM     28  N   LIG    1       -3.235   2.683  -0.606  0.00  0.00    -0.083 NA
ATOM     29  O   LIG    1       -3.463   1.322  -0.532  0.00  0.00    -0.359 OA
ATOM     30  C   LIG    1       -2.278   0.656  -0.602  0.00  0.00    +0.150 A 
ATOM     31  C   LIG    1       -1.260   1.572  -0.722  0.00  0.00    +0.071 A 
ENDBRANCH  25  30
BRANCH  25  32
ATOM     32  C   LIG    1       -2.603  -1.451  -1.936  0.00  0.00    +0.002 C 
ATOM     33  C   LIG    1       -2.850  -2.962  -1.842  0.00  0.00    +0.008 C 
ATOM     34  C   LIG    1       -1.523  -1.161  -2.986  0.00  0.00    +0.008 C 
ENDBRANCH  25  32
ENDBRANCH   1  25
TORSDOF 6