REMARK  Name = BDB018440
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.617  -1.999  -0.221  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1        0.145  -2.042  -0.215  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.453  -3.139  -0.721  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1        0.255  -4.214  -1.228  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -0.486  -5.359  -1.733  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        1.644  -4.243  -1.247  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1        2.326  -5.173  -1.667  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        2.319  -3.037  -0.711  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  11
ATOM      9  C   LIG    1        3.194   1.438  -0.078  0.00  0.00    +0.121 A 
ATOM     10  C   LIG    1        2.464   0.330  -0.516  0.00  0.00    +0.054 A 
ATOM     11  C   LIG    1        2.416  -0.846   0.244  0.00  0.00    -0.014 A 
ATOM     12  C   LIG    1        3.119  -0.907   1.453  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        3.852   0.195   1.892  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        3.889   1.365   1.129  0.00  0.00    +0.045 A 
BRANCH   9  16
ATOM     15  C   LIG    1        3.812   3.698  -0.480  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        3.148   2.519  -0.916  0.00  0.00    -0.495 OA
ENDBRANCH   9  16
ENDBRANCH   1  11
BRANCH   2  17
ATOM     17  C   LIG    1       -0.637  -0.964   0.312  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1       -1.655  -0.299  -0.337  0.00  0.00    +0.123 A 
ATOM     19  N   LIG    1       -2.125   0.677   0.525  0.00  0.00    -0.238 N 
ATOM     20  N   LIG    1       -1.469   0.625   1.705  0.00  0.00    -0.174 NA
ATOM     21  C   LIG    1       -0.566  -0.345   1.568  0.00  0.00    +0.143 A 
BRANCH  19  22
ATOM     22  C   LIG    1       -3.157   1.637   0.287  0.00  0.00    +0.083 A 
ATOM     23  C   LIG    1       -3.559   2.574   1.265  0.00  0.00    +0.077 A 
ATOM     24  C   LIG    1       -4.583   3.493   0.958  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1       -5.204   3.495  -0.289  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.810   2.576  -1.252  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -3.797   1.656  -0.971  0.00  0.00    +0.029 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -3.008   2.684   2.592  0.00  0.00    +0.101 C 
ATOM     29  N   LIG    1       -2.646   2.865   3.681  0.00  0.00    -0.191 NA
ENDBRANCH  23  28
ENDBRANCH  19  22
ENDBRANCH   2  17
TORSDOF 5