REMARK  Name = BDB018443
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.827  -1.694  -0.466  0.00  0.00    -0.001 A 
ATOM      2  C   LIG    1       -0.693  -1.694  -1.408  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.669  -2.648  -2.361  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -1.649  -3.619  -2.477  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -1.520  -4.612  -3.533  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -2.732  -3.685  -1.613  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -3.623  -4.528  -1.654  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -2.786  -2.634  -0.567  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -2.271   1.166   2.555  0.00  0.00    +0.318 A 
ATOM     10  N   LIG    1       -1.944  -0.080   2.929  0.00  0.00    -0.203 NA
ATOM     11  C   LIG    1       -1.832  -0.987   1.937  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1       -2.018  -0.696   0.599  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1       -2.346   0.621   0.338  0.00  0.00    +0.126 A 
ATOM     14  N   LIG    1       -2.480   1.568   1.290  0.00  0.00    -0.203 NA
BRANCH   9  16
ATOM     15  C   LIG    1       -2.756   3.366   3.163  0.00  0.00    +0.280 C 
ATOM     16  O   LIG    1       -2.366   2.069   3.591  0.00  0.00    -0.466 OA
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   2  17
ATOM     17  C   LIG    1        0.354  -0.715  -1.338  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        1.056  -0.325  -0.219  0.00  0.00    +0.123 A 
ATOM     19  N   LIG    1        1.944   0.661  -0.608  0.00  0.00    -0.238 N 
ATOM     20  N   LIG    1        1.876   0.860  -1.943  0.00  0.00    -0.174 NA
ATOM     21  C   LIG    1        0.916   0.045  -2.376  0.00  0.00    +0.143 A 
BRANCH  19  22
ATOM     22  C   LIG    1        2.824   1.424   0.219  0.00  0.00    +0.083 A 
ATOM     23  C   LIG    1        3.808   2.283  -0.315  0.00  0.00    +0.077 A 
ATOM     24  C   LIG    1        4.628   3.019   0.563  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1        4.485   2.913   1.945  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        3.518   2.067   2.472  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        2.693   1.328   1.621  0.00  0.00    +0.029 A 
BRANCH  23  28
ATOM     28  C   LIG    1        4.082   2.458  -1.718  0.00  0.00    +0.101 C 
ATOM     29  N   LIG    1        4.396   2.657  -2.819  0.00  0.00    -0.191 NA
ENDBRANCH  23  28
ENDBRANCH  19  22
ENDBRANCH   2  17
TORSDOF 5