REMARK  Name = BDB058411
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.043  -0.578   0.858  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        5.586  -0.711  -0.453  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1        4.293  -0.288  -0.806  0.00  0.00    -0.002 A 
ATOM      4  C   LIG    1        3.830  -0.441  -2.224  0.00  0.00    +0.043 C 
ATOM      5  C   LIG    1        2.316  -0.335  -2.304  0.00  0.00    +0.052 C 
ATOM      6  C   LIG    1        1.787   0.847  -1.471  0.00  0.00    +0.108 C 
ATOM      7  O   LIG    1        2.202   0.744  -0.098  0.00  0.00    -0.485 OA
ATOM      8  C   LIG    1        2.252   2.202  -2.032  0.00  0.00    +0.055 C 
ATOM      9  C   LIG    1        3.468   0.294   0.163  0.00  0.00    +0.128 A 
ATOM     10  C   LIG    1        3.911   0.421   1.487  0.00  0.00    -0.005 A 
ATOM     11  C   LIG    1        3.031   1.035   2.539  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1        5.202  -0.015   1.820  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        8.164  -1.545   0.388  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        7.272  -0.956   1.325  0.00  0.00    -0.495 OA
ENDBRANCH   1  14
BRANCH   6  15
ATOM     15  C   LIG    1        0.237   0.766  -1.469  0.00  0.00    +0.052 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -0.460   1.831  -0.611  0.00  0.00    +0.031 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.948   1.602  -0.571  0.00  0.00    -0.028 C 
ATOM     18  C   LIG    1       -2.651   0.976   0.395  0.00  0.00    -0.076 C 
ATOM     19  C   LIG    1       -2.043   0.354   1.625  0.00  0.00    +0.039 C 
BRANCH  18  20
ATOM     20  C   LIG    1       -4.161   0.874   0.298  0.00  0.00    +0.034 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.625  -0.496  -0.211  0.00  0.00    +0.032 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -6.124  -0.562  -0.320  0.00  0.00    -0.016 C 
ATOM     23  C   LIG    1       -6.976  -1.226   0.488  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1       -6.601  -2.009   1.709  0.00  0.00    +0.051 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -8.418  -1.146   0.136  0.00  0.00    +0.332 C 
ATOM     26  O   LIG    1       -8.918  -0.475  -0.749  0.00  0.00    -0.246 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -9.178  -1.930   0.918  0.00  0.00    -0.477 OA
ATOM     28  H   LIG    1      -10.084  -1.782   0.575  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  23  25
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   6  15
TORSDOF 9