REMARK  Name = BDB047318
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.124  -0.495   0.389  0.00  0.00    +0.020 A 
ATOM      2  C   LIG    1        2.465   0.684   0.743  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1        1.084   0.672   0.967  0.00  0.00    +0.085 A 
ATOM      4 CL   LIG    1        0.326   2.156   1.435  0.00  0.00    -0.080 Cl
ATOM      5  C   LIG    1        0.338  -0.505   0.811  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        1.008  -1.693   0.504  0.00  0.00    +0.085 A 
ATOM      7 CL   LIG    1        0.196  -3.216   0.442  0.00  0.00    -0.080 Cl
ATOM      8  C   LIG    1        2.388  -1.684   0.282  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1        4.596  -0.555   0.129  0.00  0.00    +0.163 C 
ATOM     10  O   LIG    1        5.102  -1.630  -0.190  0.00  0.00    -0.292 OA
BRANCH   9  12
ATOM     11  C   LIG    1        5.422   1.492  -1.048  0.00  0.00    +0.012 C 
ATOM     12  C   LIG    1        5.445   0.695   0.241  0.00  0.00    +0.076 C 
ENDBRANCH   9  12
ENDBRANCH   1   9
BRANCH   5  13
ATOM     13  O   LIG    1       -1.009  -0.455   1.054  0.00  0.00    -0.470 OA
BRANCH  13  14
ATOM     14  C   LIG    1       -1.843  -0.572  -0.102  0.00  0.00    +0.311 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -3.257  -0.318   0.413  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -3.639   0.961   0.849  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1       -4.940   1.197   1.294  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -5.869   0.160   1.315  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -5.499  -1.118   0.900  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.199  -1.359   0.454  0.00  0.00    +0.008 A 
ENDBRANCH  14  15
BRANCH  14  21
ATOM     21  C   LIG    1       -1.543   0.263  -1.390  0.00  0.00    +0.351 C 
ATOM     22  O   LIG    1       -0.447   0.727  -1.682  0.00  0.00    -0.246 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -2.588   0.384  -2.251  0.00  0.00    -0.478 OA
ATOM     24  H   LIG    1       -3.436   0.021  -1.926  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  14  21
ENDBRANCH  13  14
ENDBRANCH   5  13
TORSDOF 7