REMARK  Name = BDB050658
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.661   0.557  -2.422  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        0.102  -0.636  -2.897  0.00  0.00    +0.131 A 
ATOM      3  C   LIG    1        0.122  -0.916  -4.263  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.657   0.015  -5.156  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        1.191   1.217  -4.684  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.197   1.492  -3.316  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        0.678   0.860  -0.981  0.00  0.00    +0.201 C 
ATOM      8  O   LIG    1       -0.371   1.238  -0.456  0.00  0.00    -0.286 OA
BRANCH   7  11
ATOM      9  C   LIG    1        3.417  -0.950  -1.655  0.00  0.00    +0.087 C 
ATOM     10  C   LIG    1        3.027  -0.066  -0.531  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1        1.912   0.703  -0.223  0.00  0.00    +0.071 A 
ATOM     12  C   LIG    1        2.200   1.308   1.048  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        3.451   0.842   1.423  0.00  0.00    +0.136 A 
ATOM     14  C   LIG    1        4.095   1.183   2.608  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1        3.419   2.067   3.454  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        2.165   2.575   3.112  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        1.541   2.205   1.913  0.00  0.00    +0.012 A 
ATOM     18  O   LIG    1        3.947   0.013   0.471  0.00  0.00    -0.459 OA
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  O   LIG    1       -0.374  -1.606  -2.056  0.00  0.00    -0.491 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -1.709  -1.315  -1.623  0.00  0.00    +0.227 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.767  -1.572  -0.117  0.00  0.00    +0.023 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.014  -0.941   0.492  0.00  0.00    -0.073 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -2.921  -0.745   2.019  0.00  0.00    +0.374 N 
ATOM     24  C   LIG    1       -1.899   0.345   2.358  0.00  0.00    -0.093 C 
ATOM     25  C   LIG    1       -2.550  -2.033   2.742  0.00  0.00    -0.093 C 
ATOM     26  C   LIG    1       -4.290  -0.281   2.516  0.00  0.00    -0.093 C 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 7