REMARK  Name = BDB021342
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.462  -0.185   0.230  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1        0.588   0.708  -0.458  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.763   0.418  -0.412  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.405   1.351  -1.192  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -0.413   2.196  -1.631  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.282  -0.677   0.301  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.475  -1.495   0.918  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.816   1.800  -1.165  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.876  -1.219   0.875  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.746   0.291   0.416  0.00  0.00    -0.034 A 
ATOM     11  C   LIG    1        5.183  -0.955   0.111  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        3.795  -1.115   0.049  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        2.936  -0.035   0.299  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        3.504   1.214   0.591  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        4.892   1.375   0.651  0.00  0.00    +0.005 A 
BRANCH  10  16
ATOM     16  C   LIG    1        7.246   0.459   0.476  0.00  0.00    +0.116 C 
BRANCH  16  18
ATOM     17  C   LIG    1        9.282   0.495  -0.804  0.00  0.00    +0.101 C 
ATOM     18  N   LIG    1        7.847   0.259  -0.842  0.00  0.00    -0.315 NA
ATOM     19  H   LIG    1        7.411   0.904  -1.500  0.00  0.00    +0.122 HD
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   5  20
ATOM     20  C   LIG    1       -0.567   3.344  -2.471  0.00  0.00    +0.121 C 
ATOM     21  N   LIG    1       -0.737   4.272  -3.149  0.00  0.00    -0.189 NA
ENDBRANCH   5  20
BRANCH   6  22
ATOM     22  N   LIG    1       -2.639  -0.918   0.338  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.759  -1.858   0.717  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.496  -0.023   1.114  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.905  -0.543   1.128  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.665  -0.702  -0.028  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.302  -0.490  -1.451  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -6.693  -0.574  -2.080  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -7.566  -1.312  -1.196  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -6.962  -1.196   0.029  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.566  -1.552   1.218  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -6.832  -1.387   2.392  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -5.524  -0.886   2.339  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -4.851  -0.744   3.490  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 7