REMARK  Name = BDB047130
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.558   2.575   0.471  0.00  0.00    -0.286 OA
ATOM      2  C   LIG    1        0.365   1.386   0.258  0.00  0.00    +0.204 A 
ATOM      3  C   LIG    1       -0.978   0.788   0.076  0.00  0.00    +0.109 A 
ATOM      4  C   LIG    1       -1.046  -0.587  -0.162  0.00  0.00    +0.184 A 
ATOM      5  C   LIG    1       -2.292  -1.198  -0.340  0.00  0.00    +0.160 A 
ATOM      6  C   LIG    1       -3.468  -0.462  -0.285  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1       -3.406   0.910  -0.048  0.00  0.00    +0.050 A 
ATOM      8  O   LIG    1        0.045  -1.421  -0.239  0.00  0.00    -0.451 OA
ATOM      9  C   LIG    1        1.291  -0.875  -0.072  0.00  0.00    +0.139 A 
ATOM     10  C   LIG    1        2.373  -1.755  -0.157  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        3.676  -1.280   0.001  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        3.901   0.075   0.245  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        2.822   0.955   0.331  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -2.167   1.533   0.132  0.00  0.00    +0.131 A 
ATOM     15  C   LIG    1        1.518   0.475   0.171  0.00  0.00    +0.065 A 
ENDROOT
BRANCH   5  16
ATOM     16  O   LIG    1       -2.397  -2.541  -0.575  0.00  0.00    -0.503 OA
ATOM     17  H   LIG    1       -1.491  -2.901  -0.583  0.00  0.00    +0.292 HD
ENDBRANCH   5  16
BRANCH  14  18
ATOM     18  O   LIG    1       -2.142   2.878   0.362  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1       -3.042   3.240   0.370  0.00  0.00    +0.292 HD
ENDBRANCH  14  18
TORSDOF 2