REMARK  Name = BDB023983
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.994   0.901  -1.013  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -1.304  -0.462  -1.302  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -0.754  -1.423  -2.299  0.00  0.00    +0.146 C 
ATOM      4  N   LIG    1       -1.560  -2.658  -2.347  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -2.106  -3.156  -1.069  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -2.984  -2.113  -0.349  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1       -1.367  -3.462  -3.463  0.00  0.00    +0.213 C 
ATOM      8  O   LIG    1       -0.640  -3.130  -4.401  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -2.100  -4.779  -3.505  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -2.316  -0.791  -0.420  0.00  0.00    +0.046 A 
ATOM     11  N   LIG    1       -2.591   0.329   0.299  0.00  0.00    -0.264 N 
ATOM     12  N   LIG    1       -1.808   1.364  -0.046  0.00  0.00    -0.171 NA
ENDROOT
BRANCH   1  20
ATOM     13  C   LIG    1        3.067   0.864  -0.886  0.00  0.00    +0.219 C 
ATOM     14  O   LIG    1        1.865   0.298  -1.133  0.00  0.00    -0.466 OA
ATOM     15  C   LIG    1        1.260   1.098  -2.150  0.00  0.00    +0.236 C 
ATOM     16  C   LIG    1        2.395   2.045  -2.591  0.00  0.00    +0.177 C 
ATOM     17  C   LIG    1        2.053   3.503  -2.627  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1        0.867   3.971  -2.219  0.00  0.00    -0.002 C 
ATOM     19  C   LIG    1       -0.141   3.096  -1.676  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1        0.002   1.755  -1.621  0.00  0.00    +0.022 C 
ATOM     21  N   LIG    1        3.486   1.841  -1.624  0.00  0.00    -0.239 NA
BRANCH  13  25
ATOM     22  C   LIG    1        5.248  -0.855   2.376  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1        3.959  -1.307   2.080  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        3.233  -0.757   1.020  0.00  0.00    +0.017 A 
ATOM     25  C   LIG    1        3.798   0.257   0.240  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1        5.088   0.714   0.536  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1        5.811   0.160   1.599  0.00  0.00    +0.046 A 
BRANCH  22  29
ATOM     28  C   LIG    1        7.152  -1.047   3.786  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        5.843  -1.479   3.437  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
ENDBRANCH  13  25
ENDBRANCH   1  20
BRANCH  11  30
ATOM     30  C   LIG    1       -3.616   0.518   1.322  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -4.793   1.333   0.768  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -5.575   1.959   1.910  0.00  0.00    +0.162 C 
ATOM     33  O   LIG    1       -4.794   2.829   2.727  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -3.382   2.607   2.690  0.00  0.00    +0.162 C 
ATOM     35  C   LIG    1       -3.047   1.127   2.614  0.00  0.00    +0.055 C 
ENDBRANCH  11  30
TORSDOF 4