REMARK  Name = BDB045483
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.845  -0.232   0.063  0.00  0.00    +0.008 C 
ATOM      2  C   LIG    1        0.443  -0.053  -0.013  0.00  0.00    +0.108 C 
ATOM      3  C   LIG    1        1.336  -1.212   0.085  0.00  0.00    +0.260 C 
ATOM      4  O   LIG    1        0.903  -2.355   0.236  0.00  0.00    -0.269 OA
ATOM      5  N   LIG    1        2.699  -0.953  -0.003  0.00  0.00    -0.210 N 
ATOM      6  C   LIG    1        3.220   0.328  -0.174  0.00  0.00    +0.319 C 
ATOM      7  O   LIG    1        4.445   0.496  -0.246  0.00  0.00    -0.251 OA
ATOM      8  N   LIG    1        2.358   1.420  -0.265  0.00  0.00    -0.210 N 
ATOM      9  C   LIG    1        0.974   1.301  -0.193  0.00  0.00    +0.260 C 
ATOM     10  O   LIG    1        0.237   2.283  -0.276  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1       -4.523   0.444   0.140  0.00  0.00    +0.169 A 
ATOM     12  C   LIG    1       -5.084  -0.855   0.315  0.00  0.00    +0.220 A 
ATOM     13  O   LIG    1       -6.338  -1.085   0.395  0.00  0.00    -0.284 OA
ATOM     14  C   LIG    1       -4.147  -1.906   0.398  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1       -2.764  -1.715   0.317  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -2.257  -0.436   0.146  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1       -3.128   0.645   0.057  0.00  0.00    +0.058 A 
BRANCH  11  19
ATOM     18  C   LIG    1       -4.966   2.791  -0.115  0.00  0.00    +0.253 C 
ATOM     19  O   LIG    1       -5.455   1.471   0.059  0.00  0.00    -0.469 OA
ENDBRANCH  11  19
ENDBRANCH   1  16
BRANCH   5  20
ATOM     20  C   LIG    1        3.572  -2.017   0.084  0.00  0.00    +0.103 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.466  -3.109   0.173  0.00  0.00    +0.020 C 
ATOM     22  C   LIG    1        4.987  -3.771  -1.111  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1        5.098  -3.463   1.527  0.00  0.00    +0.002 C 
ENDBRANCH  20  21
ENDBRANCH   5  20
BRANCH   8  24
ATOM     24  C   LIG    1        2.897   2.678  -0.435  0.00  0.00    +0.103 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.447   3.969  -0.609  0.00  0.00    +0.020 C 
ATOM     26  C   LIG    1        3.946   4.748   0.618  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1        3.834   4.441  -2.018  0.00  0.00    +0.002 C 
ENDBRANCH  24  25
ENDBRANCH   8  24
TORSDOF 6