REMARK  Name = BDB008490
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.781  -3.239   3.306  0.00  0.00    -0.245 OA
ATOM      2  C   LIG    1       -0.379  -2.278   2.674  0.00  0.00    +0.343 C 
ATOM      3  C   LIG    1       -0.967  -1.754   1.430  0.00  0.00    +0.076 C 
ATOM      4  C   LIG    1       -0.179  -0.734   1.067  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1        0.936  -0.524   2.042  0.00  0.00    +0.246 C 
ATOM      6  O   LIG    1        0.711  -1.547   3.018  0.00  0.00    -0.424 OA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -0.264   0.056  -0.113  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -0.535   1.453  -0.238  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1       -0.478   1.756  -1.601  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -0.669   3.051  -2.101  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -0.939   4.064  -1.177  0.00  0.00    +0.043 A 
ATOM     12  C   LIG    1       -1.022   3.798   0.186  0.00  0.00    +0.021 A 
ATOM     13 CL   LIG    1       -1.178   5.674  -1.742  0.00  0.00    -0.083 Cl
ATOM     14  N   LIG    1       -0.214   0.584  -2.272  0.00  0.00    -0.360 N 
ATOM     15  H   LIG    1       -0.119   0.506  -3.275  0.00  0.00    +0.165 HD
ATOM     16  C   LIG    1       -0.826   2.497   0.666  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -0.107  -0.454  -1.385  0.00  0.00    +0.092 A 
ENDBRANCH   4   7
BRANCH   3  18
ATOM     18  C   LIG    1       -2.149  -2.306   0.759  0.00  0.00    -0.010 A 
ATOM     19  C   LIG    1       -2.302  -3.693   0.613  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1       -3.427  -4.226  -0.025  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -4.412  -3.376  -0.518  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1       -5.793  -4.030  -1.306  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1       -4.285  -1.997  -0.373  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -3.160  -1.466   0.267  0.00  0.00    +0.010 A 
ENDBRANCH   3  18
BRANCH   5  25
ATOM     25  O   LIG    1        0.785   0.711   2.728  0.00  0.00    -0.351 OA
ATOM     26  H   LIG    1        1.529   0.760   3.351  0.00  0.00    +0.214 HD
ENDBRANCH   5  25
BRANCH   5  27
ATOM     27  C   LIG    1        2.389  -0.731   1.530  0.00  0.00    +0.119 C 
BRANCH  27  28
ATOM     28  C   LIG    1        2.900   0.161   0.419  0.00  0.00    -0.041 A 
ATOM     29  C   LIG    1        3.393  -0.412  -0.764  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        3.849   0.393  -1.810  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        3.824   1.778  -1.679  0.00  0.00    +0.041 A 
ATOM     32 CL   LIG    1        4.362   2.770  -2.977  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1        3.365   2.363  -0.503  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        2.914   1.558   0.546  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 5