REMARK  Name = BDB030052
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.046  -0.922   0.719  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1        1.816  -0.354   0.353  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        0.667  -0.534   1.145  0.00  0.00    +0.075 A 
ATOM      4  C   LIG    1        0.758  -1.290   2.313  0.00  0.00    +0.154 A 
ATOM      5  F   LIG    1       -0.326  -1.479   3.084  0.00  0.00    -0.203 F 
ATOM      6  C   LIG    1        1.974  -1.857   2.689  0.00  0.00    +0.077 A 
ATOM      7 CL   LIG    1        2.091  -2.787   4.135  0.00  0.00    -0.081 Cl
ATOM      8  C   LIG    1        3.110  -1.675   1.901  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  13
ATOM      9  N   LIG    1        6.310  -0.796  -0.661  0.00  0.00    -0.259 N 
ATOM     10  C   LIG    1        5.688  -0.222  -1.738  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        6.388   0.224  -2.968  0.00  0.00    +0.065 C 
ATOM     12  C   LIG    1        4.353  -0.161  -1.399  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1        4.246  -0.735  -0.105  0.00  0.00    +0.093 A 
ATOM     14  N   LIG    1        5.454  -1.129   0.328  0.00  0.00    -0.171 NA
BRANCH   9  15
ATOM     15  C   LIG    1        7.713  -1.132  -0.510  0.00  0.00    +0.239 C 
BRANCH  15  19
ATOM     16  C   LIG    1        7.848   0.375   2.087  0.00  0.00    +0.128 C 
ATOM     17  N   LIG    1        8.680   0.652   0.938  0.00  0.00    -0.317 N 
ATOM     18  H   LIG    1        9.224   1.508   0.943  0.00  0.00    +0.148 HD
ATOM     19  C   LIG    1        8.571   0.094  -0.305  0.00  0.00    +0.234 C 
ATOM     20  O   LIG    1        9.209   0.595  -1.234  0.00  0.00    -0.274 OA
ENDBRANCH  15  19
ENDBRANCH   9  15
ENDBRANCH   1  13
BRANCH   3  21
ATOM     21  C   LIG    1       -0.600   0.099   0.695  0.00  0.00    +0.262 C 
ATOM     22  N   LIG    1       -1.726  -0.072   1.479  0.00  0.00    -0.228 N 
ATOM     23  H   LIG    1       -1.776  -0.827   2.169  0.00  0.00    +0.171 HD
ATOM     24  O   LIG    1       -0.635   0.747  -0.350  0.00  0.00    -0.269 OA
BRANCH  22  25
ATOM     25  N   LIG    1       -3.061   0.271   0.804  0.00  0.00    -0.112 NA
ATOM     26  H   LIG    1       -2.883   0.752  -0.093  0.00  0.00    +0.171 HD
BRANCH  25  27
ATOM     27  S   LIG    1       -4.045  -1.095   0.518  0.00  0.00    +0.045 S 
ATOM     28  O   LIG    1       -3.764  -2.037   1.584  0.00  0.00    -0.157 OA
ATOM     29  O   LIG    1       -3.865  -1.463  -0.868  0.00  0.00    -0.157 OA
BRANCH  27  30
ATOM     30  C   LIG    1       -5.688  -0.424   0.768  0.00  0.00    +0.190 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -6.021   0.833  -0.051  0.00  0.00    +0.012 C 
ATOM     32  C   LIG    1       -7.341   1.463   0.450  0.00  0.00    +0.005 C 
ATOM     33  C   LIG    1       -8.548   0.985  -0.348  0.00  0.00    +0.000 C 
ATOM     34  C   LIG    1       -8.437   1.365  -1.825  0.00  0.00    +0.000 C 
ATOM     35  C   LIG    1       -6.993   1.493  -2.309  0.00  0.00    +0.000 C 
ATOM     36  C   LIG    1       -6.064   0.541  -1.565  0.00  0.00    +0.005 C 
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH  25  27
ENDBRANCH  22  25
ENDBRANCH   3  21
TORSDOF 8