REMARK  Name = BDB056941
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.369  -0.840   1.679  0.00  0.00    +0.200 C 
ATOM      2  O   LIG    1        0.684  -1.518   2.655  0.00  0.00    -0.286 OA
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.323   0.133   1.082  0.00  0.00    +0.107 A 
ATOM      4  C   LIG    1        0.903   1.468   0.617  0.00  0.00    +0.348 A 
ATOM      5  O   LIG    1       -0.247   1.876   0.729  0.00  0.00    -0.244 OA
ATOM      6  O   LIG    1        1.888   2.256   0.036  0.00  0.00    -0.422 OA
ATOM      7  C   LIG    1        3.235   1.847  -0.029  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        4.119   2.748  -0.606  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1        5.464   2.410  -0.694  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        5.930   1.179  -0.206  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1        5.026   0.254   0.387  0.00  0.00    -0.007 A 
ATOM     12  C   LIG    1        5.572  -0.966   0.860  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        6.934  -1.259   0.751  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        7.795  -0.342   0.167  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        7.296   0.869  -0.307  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        3.648   0.608   0.468  0.00  0.00    +0.026 A 
ATOM     17  C   LIG    1        2.608  -0.253   1.033  0.00  0.00    +0.031 A 
ENDBRANCH   1   3
BRANCH   1  21
ATOM     18  C   LIG    1       -3.530  -1.397   0.006  0.00  0.00    +0.122 A 
ATOM     19  C   LIG    1       -2.461  -1.114  -0.841  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1       -1.182  -0.921  -0.311  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1       -0.974  -1.016   1.072  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -2.042  -1.360   1.910  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1       -3.317  -1.555   1.375  0.00  0.00    +0.046 A 
BRANCH  18  24
ATOM     24  O   LIG    1       -4.790  -1.621  -0.467  0.00  0.00    -0.475 OA
BRANCH  24  26
ATOM     25  C   LIG    1       -6.996  -0.927  -0.897  0.00  0.00    +0.067 C 
ATOM     26  C   LIG    1       -5.529  -0.462  -0.907  0.00  0.00    +0.200 C 
ATOM     27  C   LIG    1       -5.400   0.739   0.048  0.00  0.00    +0.067 C 
BRANCH  26  28
ATOM     28  C   LIG    1       -5.223  -0.063  -2.363  0.00  0.00    +0.348 C 
ATOM     29  O   LIG    1       -4.642  -0.729  -3.207  0.00  0.00    -0.247 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -5.718   1.145  -2.712  0.00  0.00    -0.478 OA
ATOM     31  H   LIG    1       -5.465   1.239  -3.655  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH  18  24
ENDBRANCH   1  21
TORSDOF 6