REMARK  Name = BDB004363
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.761   0.550   0.282  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1       -2.024   0.093   0.686  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -3.183   0.622   0.107  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1       -4.521   0.158   0.522  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1       -5.652   0.783  -0.159  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -6.938   0.399   0.190  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1       -8.036   0.994  -0.437  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1       -7.825   1.971  -1.414  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -6.523   2.352  -1.758  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -7.099  -0.639   1.219  0.00  0.00    +0.273 A 
ATOM     11  O   LIG    1       -8.210  -1.033   1.555  0.00  0.00    -0.266 OA
ATOM     12  N   LIG    1       -5.936  -1.129   1.770  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -6.024  -1.840   2.490  0.00  0.00    +0.192 HD
ATOM     14  C   LIG    1       -5.431   1.755  -1.126  0.00  0.00    +0.138 A 
ATOM     15  O   LIG    1       -4.181   2.178  -1.500  0.00  0.00    -0.455 OA
ATOM     16  N   LIG    1       -4.665  -0.747   1.446  0.00  0.00    -0.170 NA
ATOM     17  C   LIG    1       -3.095   1.608  -0.878  0.00  0.00    +0.138 A 
ATOM     18  C   LIG    1       -1.843   2.077  -1.275  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1       -0.685   1.557  -0.693  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  20
ATOM     20  C   LIG    1        0.494   0.000   0.934  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1        1.563  -0.339  -0.028  0.00  0.00    -0.300 NA
ATOM     22  C   LIG    1        1.188  -1.519  -0.817  0.00  0.00    +0.105 C 
BRANCH  21  23
ATOM     23  C   LIG    1        2.830  -0.568   0.708  0.00  0.00    +0.100 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.077  -0.673  -0.204  0.00  0.00    +0.099 C 
BRANCH  24  25
ATOM     25  N   LIG    1        5.316  -0.763   0.596  0.00  0.00    -0.302 NA
BRANCH  25  27
ATOM     26  C   LIG    1        6.751  -1.858  -1.205  0.00  0.00    +0.020 C 
ATOM     27  C   LIG    1        6.155  -1.907   0.202  0.00  0.00    +0.081 C 
ENDBRANCH  25  27
BRANCH  25  28
ATOM     28  C   LIG    1        6.085   0.493   0.619  0.00  0.00    +0.081 C 
ATOM     29  C   LIG    1        5.386   1.625   1.366  0.00  0.00    +0.020 C 
ENDBRANCH  25  28
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 7