REMARK  Name = BDB051446
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.223   0.512  -0.239  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -1.044  -0.247   0.745  0.00  0.00    +0.200 A 
ATOM      3  O   LIG    1       -0.579  -0.728   1.771  0.00  0.00    -0.286 OA
ATOM      4  C   LIG    1       -2.478  -0.395   0.431  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1       -2.977   0.172  -0.739  0.00  0.00    +0.142 A 
ATOM      6  C   LIG    1       -4.329   0.045  -1.053  0.00  0.00    +0.092 A 
ATOM      7  C   LIG    1       -5.171  -0.650  -0.189  0.00  0.00    +0.120 A 
ATOM      8  C   LIG    1       -4.684  -1.221   0.984  0.00  0.00    +0.046 A 
ATOM      9  O   LIG    1       -2.189   0.864  -1.622  0.00  0.00    -0.462 OA
ATOM     10  C   LIG    1       -3.329  -1.093   1.297  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1       -0.854   0.988  -1.324  0.00  0.00    +0.208 A 
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1        3.457  -0.204   0.299  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        2.077  -0.378   0.147  0.00  0.00    +0.054 A 
ATOM     14  C   LIG    1        1.226   0.715  -0.068  0.00  0.00    -0.008 A 
ATOM     15  C   LIG    1        1.784   2.000  -0.119  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        3.159   2.181   0.032  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        3.995   1.081   0.238  0.00  0.00    +0.045 A 
BRANCH  12  19
ATOM     18  C   LIG    1        5.556  -1.234   0.734  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        4.161  -1.361   0.492  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH   1  14
BRANCH   7  20
ATOM     20  O   LIG    1       -6.486  -0.751  -0.532  0.00  0.00    -0.507 OA
ATOM     21  H   LIG    1       -6.953  -1.259   0.152  0.00  0.00    +0.292 HD
ENDBRANCH   7  20
TORSDOF 3