REMARK  Name = BDB014257
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.422  -0.166   0.555  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1       -2.261  -0.059  -0.214  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -1.982   1.104  -0.923  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1       -0.753   0.912  -1.593  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -0.292  -0.357  -1.285  0.00  0.00    +0.056 A 
ATOM      6  N   LIG    1       -2.796   2.185  -0.922  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1       -3.911   2.062  -0.173  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1       -1.226  -0.932  -0.455  0.00  0.00    -0.353 N 
ATOM      9  H   LIG    1       -1.184  -1.862  -0.055  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1       -4.266   0.945   0.565  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1       -4.786  -1.493   2.010  0.00  0.00    -0.245 OA
ATOM     12  C   LIG    1       -3.783  -1.364   1.334  0.00  0.00    +0.339 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -2.875  -2.356   1.239  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1       -3.260  -3.057   1.809  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   5  15
ATOM     15  C   LIG    1        0.937  -1.085  -1.711  0.00  0.00    +0.282 C 
BRANCH  15  16
ATOM     16  O   LIG    1        2.027  -0.164  -1.769  0.00  0.00    -0.486 OA
BRANCH  16  17
ATOM     17  C   LIG    1        2.793   0.017  -0.651  0.00  0.00    +0.124 A 
ATOM     18  C   LIG    1        2.476  -0.399   0.640  0.00  0.00    +0.084 A 
ATOM     19  C   LIG    1        3.359  -0.131   1.684  0.00  0.00    +0.127 A 
ATOM     20  F   LIG    1        3.050  -0.538   2.923  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        4.552   0.549   1.468  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        4.868   0.978   0.182  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        3.987   0.713  -0.870  0.00  0.00    +0.046 A 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 5