REMARK  Name = BDB058425
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.378  -1.043   0.759  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        0.130  -2.193   0.143  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        1.508  -2.414   0.084  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        2.401  -1.496   0.640  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        1.903  -0.340   1.239  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        0.522  -0.115   1.298  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -1.868  -0.796   0.806  0.00  0.00    +0.137 C 
BRANCH   7   8
ATOM      8  N   LIG    1       -2.332  -0.423  -0.524  0.00  0.00    -0.340 N 
ATOM      9  H   LIG    1       -1.656   0.151  -1.023  0.00  0.00    +0.146 HD
BRANCH   8  12
ATOM     10  C   LIG    1       -6.010   0.117  -0.106  0.00  0.00    +0.061 A 
ATOM     11  C   LIG    1       -4.693  -0.286   0.169  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -3.646   0.012  -0.710  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -3.967   0.666  -1.909  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -5.274   1.071  -2.195  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -6.297   0.803  -1.290  0.00  0.00    +0.015 A 
BRANCH  10  17
ATOM     16  O   LIG    1       -6.890  -0.787   1.944  0.00  0.00    -0.245 OA
ATOM     17  C   LIG    1       -7.062  -0.213   0.884  0.00  0.00    +0.337 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -8.287   0.193   0.504  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1       -8.867  -0.092   1.240  0.00  0.00    +0.295 HD
ENDBRANCH  17  18
ENDBRANCH  10  17
ENDBRANCH   8  12
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  O   LIG    1        3.720  -1.830   0.504  0.00  0.00    -0.487 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.686  -1.111   1.275  0.00  0.00    +0.264 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.176   0.152   0.598  0.00  0.00    -0.010 A 
ATOM     23  C   LIG    1        5.638   1.225   1.378  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        6.120   2.386   0.770  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        6.150   2.472  -0.617  0.00  0.00    +0.123 A 
ATOM     26  F   LIG    1        6.613   3.586  -1.198  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1        5.713   1.417  -1.407  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        5.232   0.255  -0.801  0.00  0.00    +0.010 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 8