REMARK  Name = BDB047358
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.057  -1.419   1.562  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   7
ATOM      2  C   LIG    1        7.287   0.542  -0.372  0.00  0.00    +0.210 C 
ATOM      3  O   LIG    1        6.154   1.371  -0.793  0.00  0.00    -0.474 OA
ATOM      4  C   LIG    1        5.051   0.783  -0.242  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1        5.303  -0.438   0.348  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        4.282  -1.160   0.943  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1        2.987  -0.626   0.948  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1        2.743   0.614   0.335  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1        3.785   1.328  -0.269  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        6.728  -0.793   0.169  0.00  0.00    +0.098 C 
BRANCH   2  12
ATOM     11  C   LIG    1        9.320   0.751   1.244  0.00  0.00    +0.008 C 
ATOM     12  C   LIG    1        8.059   1.383   0.670  0.00  0.00    +0.057 C 
ENDBRANCH   2  12
BRANCH   2  13
ATOM     13  C   LIG    1        8.150   0.319  -1.618  0.00  0.00    +0.349 C 
ATOM     14  O   LIG    1        8.150   0.972  -2.650  0.00  0.00    -0.246 OA
BRANCH  13  15
ATOM     15  O   LIG    1        9.020  -0.710  -1.497  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1        9.491  -0.710  -2.358  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   2  13
ENDBRANCH   1   7
BRANCH   1  17
ATOM     17  C   LIG    1        0.745  -0.902   1.776  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.163  -1.227   0.597  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.585  -0.735   0.835  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.361  -1.067  -0.314  0.00  0.00    -0.490 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -3.682  -0.707  -0.324  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1       -4.419  -1.028  -1.470  0.00  0.00    +0.083 A 
ATOM     23 CL   LIG    1       -3.691  -1.844  -2.811  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1       -5.777  -0.697  -1.565  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1       -6.449  -0.033  -0.522  0.00  0.00    -0.040 A 
ATOM     26  C   LIG    1       -5.696   0.282   0.620  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -4.335  -0.049   0.719  0.00  0.00    +0.047 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -7.941   0.316  -0.660  0.00  0.00    -0.013 C 
ATOM     29  C   LIG    1       -8.147   1.242  -1.878  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1       -8.529   1.043   0.571  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1       -8.760  -0.977  -0.861  0.00  0.00    +0.015 C 
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10