REMARK  Name = BDB048502
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.819   1.400   0.606  0.00  0.00    -0.014 C 
ATOM      2  C   LIG    1       -1.664   0.402   0.565  0.00  0.00    -0.006 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -3.089   0.695   0.246  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -3.731   1.846   0.734  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1       -5.071   2.103   0.428  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -5.781   1.211  -0.371  0.00  0.00    +0.018 A 
ATOM      7 BR   LIG    1       -7.593   1.557  -0.784  0.00  0.00    -0.050 Br
ATOM      8  C   LIG    1       -5.164   0.066  -0.868  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1       -3.825  -0.189  -0.560  0.00  0.00    +0.009 A 
ENDBRANCH   2   3
BRANCH   2  10
ATOM     10  C   LIG    1       -1.130  -0.961   0.842  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1       -1.836  -1.829   1.690  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -1.351  -3.111   1.965  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1       -0.154  -3.537   1.393  0.00  0.00    +0.018 A 
ATOM     14 BR   LIG    1        0.494  -5.271   1.772  0.00  0.00    -0.050 Br
ATOM     15  C   LIG    1        0.561  -2.693   0.548  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1        0.075  -1.410   0.275  0.00  0.00    +0.009 A 
ENDBRANCH   2  10
BRANCH   1  17
ATOM     17  C   LIG    1        0.235   2.521   0.642  0.00  0.00    +0.088 C 
BRANCH  17  18
ATOM     18  S   LIG    1        1.492   3.653   0.646  0.00  0.00    -0.110 S 
BRANCH  18  23
ATOM     19  C   LIG    1        4.382   0.989  -1.740  0.00  0.00    +0.141 A 
ATOM     20  C   LIG    1        3.977   2.230  -2.244  0.00  0.00    +0.084 A 
ATOM     21 CL   LIG    1        4.500   2.793  -3.792  0.00  0.00    -0.080 Cl
ATOM     22  C   LIG    1        3.114   3.047  -1.505  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1        2.658   2.635  -0.249  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        3.107   1.421   0.281  0.00  0.00    +0.018 A 
ATOM     25  C   LIG    1        3.963   0.603  -0.459  0.00  0.00    +0.048 A 
BRANCH  19  26
ATOM     26  O   LIG    1        5.213   0.203  -2.505  0.00  0.00    -0.464 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.888  -1.091  -2.442  0.00  0.00    +0.319 C 
BRANCH  27  29
ATOM     28  O   LIG    1        4.880  -3.380  -3.169  0.00  0.00    -0.241 OA
ATOM     29  C   LIG    1        4.451  -2.575  -2.294  0.00  0.00    +0.408 C 
ATOM     30  O   LIG    1        3.704  -2.820  -1.300  0.00  0.00    -0.241 OA
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  19  26
ENDBRANCH  18  23
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 8