REMARK  Name = BDB004483
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.674   1.398  -3.562  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.318   0.652  -2.670  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1        0.406   0.835  -1.307  0.00  0.00    -0.257 N 
ATOM      4  C   LIG    1       -0.232  -0.241  -0.539  0.00  0.00    +0.192 C 
ATOM      5  C   LIG    1       -0.571  -1.227  -1.648  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1       -1.058  -2.528  -1.589  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -1.278  -3.218  -2.787  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -0.999  -2.619  -4.027  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -0.483  -1.325  -4.087  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -0.277  -0.665  -2.888  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        0.723  -0.811   0.519  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        1.873  -1.534   0.137  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        2.774  -2.019   1.090  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1        2.543  -1.786   2.441  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1        3.657  -2.369   3.615  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1        1.421  -1.071   2.848  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        0.523  -0.582   1.894  0.00  0.00    +0.010 A 
ENDBRANCH   4  11
BRANCH   3  18
ATOM     18  C   LIG    1        0.897   2.063  -0.708  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.340   1.966  -0.267  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        3.357   1.715  -1.200  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        4.686   1.587  -0.789  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1        5.006   1.717   0.561  0.00  0.00    +0.013 A 
ATOM     23  I   LIG    1        6.978   1.502   1.181  0.00  0.00    -0.044 I 
ATOM     24  C   LIG    1        4.012   1.988   1.499  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        2.684   2.119   1.084  0.00  0.00    +0.006 A 
ENDBRANCH  18  19
ENDBRANCH   3  18
BRANCH   4  26
ATOM     26  O   LIG    1       -1.387   0.384   0.037  0.00  0.00    -0.347 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -2.502  -0.445   0.336  0.00  0.00    +0.172 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.493   0.354   1.158  0.00  0.00    +0.017 C 
ATOM     29  C   LIG    1       -4.486  -0.431   1.998  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1       -3.371   0.320   2.671  0.00  0.00    +0.012 C 
BRANCH  28  31
ATOM     31  C   LIG    1       -3.945   1.634   0.484  0.00  0.00    +0.165 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -4.983   2.272   1.222  0.00  0.00    -0.394 OA
ATOM     33  H   LIG    1       -5.193   3.094   0.749  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 8