REMARK  Name = BDB008557
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.710   0.699   0.502  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.874  -0.394   0.264  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        0.873  -0.967  -1.002  0.00  0.00    -0.020 A 
ATOM      4  C   LIG    1        0.108  -2.164  -1.482  0.00  0.00    +0.107 C 
ATOM      5  C   LIG    1        0.299  -2.091  -3.013  0.00  0.00    +0.032 C 
ATOM      6  C   LIG    1        1.615  -1.333  -3.248  0.00  0.00    +0.037 C 
ATOM      7  C   LIG    1        1.724  -0.498  -2.009  0.00  0.00    -0.042 A 
ATOM      8  C   LIG    1        2.575   0.567  -1.780  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1        2.556   1.168  -0.519  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4  10
ATOM     10  N   LIG    1       -1.290  -2.306  -1.046  0.00  0.00    -0.289 N 
ATOM     11  C   LIG    1       -2.352  -1.462  -1.403  0.00  0.00    +0.246 C 
ATOM     12  O   LIG    1       -3.512  -1.894  -1.446  0.00  0.00    -0.273 OA
BRANCH  11  13
ATOM     13  C   LIG    1       -2.074   0.027  -1.687  0.00  0.00    +0.217 C 
ATOM     14  O   LIG    1       -1.876   0.720  -0.441  0.00  0.00    -0.365 OA
ATOM     15  C   LIG    1       -1.601   2.107  -0.688  0.00  0.00    +0.176 C 
ATOM     16  C   LIG    1       -2.763   2.776  -1.436  0.00  0.00    +0.109 C 
ATOM     17  N   LIG    1       -3.065   2.094  -2.707  0.00  0.00    -0.311 NA
ATOM     18  H   LIG    1       -3.923   2.482  -3.098  0.00  0.00    +0.122 HD
ATOM     19  C   LIG    1       -3.275   0.654  -2.433  0.00  0.00    +0.122 C 
ENDBRANCH  11  13
BRANCH  10  20
ATOM     20  C   LIG    1       -1.644  -3.638  -0.582  0.00  0.00    +0.077 C 
ATOM     21  C   LIG    1       -2.398  -3.825   0.712  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1       -0.971  -4.264   0.616  0.00  0.00    +0.024 C 
ENDBRANCH  10  20
ENDBRANCH   4  10
BRANCH   1  23
ATOM     23  O   LIG    1        1.797   1.398   1.675  0.00  0.00    -0.492 OA
BRANCH  23  24
ATOM     24  C   LIG    1        0.895   1.026   2.718  0.00  0.00    +0.231 C 
BRANCH  24  25
ATOM     25  C   LIG    1        1.091   1.959   3.912  0.00  0.00    +0.069 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.289   1.581   4.785  0.00  0.00    +0.163 C 
BRANCH  26  28
ATOM     27  C   LIG    1        4.052   2.779   3.730  0.00  0.00    +0.193 C 
ATOM     28  O   LIG    1        3.526   1.508   4.086  0.00  0.00    -0.383 OA
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 8