REMARK  Name = BDB002067
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.317  -1.646  -0.031  0.00  0.00    +0.071 A 
ATOM      2  C   LIG    1       -0.824  -1.854   0.821  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -0.805  -3.216   1.119  0.00  0.00    +0.136 A 
ATOM      4  C   LIG    1       -1.741  -3.874   1.913  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -2.778  -3.099   2.423  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -2.834  -1.736   2.152  0.00  0.00    +0.122 A 
ATOM      7  O   LIG    1        0.255  -3.826   0.531  0.00  0.00    -0.459 OA
ATOM      8  C   LIG    1       -1.858  -1.053   1.382  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        0.923  -2.884  -0.181  0.00  0.00    +0.114 A 
ATOM     10  C   LIG    1        2.088  -3.374  -0.950  0.00  0.00    +0.087 C 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        0.748  -0.429  -0.695  0.00  0.00    +0.197 C 
ATOM     12  O   LIG    1       -0.008   0.205  -1.426  0.00  0.00    -0.287 OA
BRANCH  11  16
ATOM     13  C   LIG    1        4.751   1.059  -0.166  0.00  0.00    +0.120 A 
ATOM     14  C   LIG    1        4.185   0.223   0.801  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        2.887  -0.272   0.650  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        2.141   0.061  -0.486  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        2.702   0.911  -1.448  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        4.003   1.404  -1.291  0.00  0.00    +0.046 A 
BRANCH  13  20
ATOM     19  C   LIG    1        6.645   2.331  -0.836  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        6.026   1.467   0.110  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   6  21
ATOM     21  O   LIG    1       -3.918  -1.064   2.659  0.00  0.00    -0.506 OA
ATOM     22  H   LIG    1       -4.022  -0.258   2.106  0.00  0.00    +0.292 HD
ENDBRANCH   6  21
BRANCH   8  23
ATOM     23  C   LIG    1       -1.933   0.458   1.257  0.00  0.00    +0.124 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.253   0.929   0.788  0.00  0.00    -0.294 NA
ATOM     25  C   LIG    1       -3.448   0.640  -0.658  0.00  0.00    +0.113 C 
ATOM     26  C   LIG    1       -3.137   1.835  -1.575  0.00  0.00    +0.175 C 
ATOM     27  O   LIG    1       -3.957   2.980  -1.295  0.00  0.00    -0.377 OA
ATOM     28  C   LIG    1       -4.376   3.051   0.074  0.00  0.00    +0.175 C 
ATOM     29  C   LIG    1       -3.375   2.389   1.031  0.00  0.00    +0.113 C 
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 6