REMARK  Name = BDB055041
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.324   0.017  -0.240  0.00  0.00    +0.068 A 
ATOM      2  C   LIG    1       -0.027  -0.356   0.018  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -1.012   0.654   0.006  0.00  0.00    +0.113 A 
ATOM      4  N   LIG    1       -2.322   0.424   0.240  0.00  0.00    -0.251 NA
ATOM      5  C   LIG    1       -2.708  -0.846   0.487  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1       -1.839  -1.916   0.508  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -0.627   1.963  -0.273  0.00  0.00    +0.143 A 
ATOM      8  C   LIG    1        0.684   2.327  -0.550  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -0.491  -1.668   0.268  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        1.665   1.346  -0.538  0.00  0.00    +0.019 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1        3.369  -0.958  -1.032  0.00  0.00    -0.245 OA
ATOM     12  C   LIG    1        2.450  -0.942  -0.236  0.00  0.00    +0.337 C 
BRANCH  12  13
ATOM     13  O   LIG    1        2.426  -1.760   0.829  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1        3.258  -2.273   0.754  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   7  15
ATOM     15  O   LIG    1       -1.583   2.952  -0.289  0.00  0.00    -0.505 OA
ATOM     16  H   LIG    1       -2.416   2.477  -0.079  0.00  0.00    +0.292 HD
ENDBRANCH   7  15
TORSDOF 3