REMARK  Name = BDB058420
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.810   0.516  -0.186  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1       -0.014   0.102  -1.263  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        1.381   0.058  -1.147  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        1.997   0.424   0.050  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        1.207   0.828   1.128  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.184   0.873   1.015  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -2.316   0.552  -0.303  0.00  0.00    +0.137 C 
BRANCH   7   8
ATOM      8  N   LIG    1       -2.882  -0.546   0.469  0.00  0.00    -0.340 N 
ATOM      9  H   LIG    1       -2.312  -1.387   0.421  0.00  0.00    +0.146 HD
BRANCH   8  12
ATOM     10  C   LIG    1       -6.579  -0.198   0.010  0.00  0.00    +0.061 A 
ATOM     11  C   LIG    1       -5.210   0.117  -0.000  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -4.249  -0.823   0.392  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -4.704  -2.065   0.862  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -6.063  -2.389   0.877  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -7.002  -1.457   0.445  0.00  0.00    +0.015 A 
BRANCH  10  17
ATOM     16  O   LIG    1       -8.813   0.587  -0.419  0.00  0.00    -0.245 OA
ATOM     17  C   LIG    1       -7.611   0.776  -0.420  0.00  0.00    +0.337 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -7.091   1.943  -0.841  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1       -7.879   2.473  -1.084  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        3.342   0.427   0.297  0.00  0.00    -0.487 OA
BRANCH  20  21
ATOM     21  C   LIG    1        4.202   0.040  -0.776  0.00  0.00    +0.267 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.649   0.130  -0.351  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        6.608  -0.623  -1.040  0.00  0.00    +0.132 A 
ATOM     24  F   LIG    1        6.225  -1.426  -2.043  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        7.958  -0.558  -0.714  0.00  0.00    +0.077 A 
ATOM     26  C   LIG    1        8.359   0.284   0.312  0.00  0.00    +0.126 A 
ATOM     27  F   LIG    1        9.657   0.358   0.634  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        7.436   1.059   1.006  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        6.082   0.988   0.672  0.00  0.00    +0.012 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 8