REMARK  Name = BDB013829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.729   0.540  -0.296  0.00  0.00    +0.082 A 
ATOM      2  C   LIG    1       -1.785  -0.394   0.176  0.00  0.00    +0.060 A 
ATOM      3  C   LIG    1       -2.329  -1.587   0.662  0.00  0.00    +0.134 A 
ATOM      4  N   LIG    1       -3.645  -1.919   0.654  0.00  0.00    -0.261 NA
ATOM      5  C   LIG    1       -4.500  -0.999   0.175  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1       -4.098   0.233  -0.298  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -3.158   2.807  -0.981  0.00  0.00    -0.245 OA
ATOM      8  C   LIG    1       -2.378   1.883  -0.826  0.00  0.00    +0.339 C 
BRANCH   8   9
ATOM      9  O   LIG    1       -1.090   2.004  -1.203  0.00  0.00    -0.477 OA
ATOM     10  H   LIG    1       -1.038   2.927  -1.535  0.00  0.00    +0.295 HD
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   2  11
ATOM     11  N   LIG    1       -0.420  -0.081   0.295  0.00  0.00    -0.338 N 
ATOM     12  H   LIG    1       -0.182   0.691  -0.339  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1        0.559  -1.158   0.228  0.00  0.00    +0.137 C 
BRANCH  13  14
ATOM     14  C   LIG    1        1.945  -0.560   0.135  0.00  0.00    -0.030 A 
ATOM     15  C   LIG    1        2.656  -0.586  -1.075  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        3.930  -0.019  -1.156  0.00  0.00    +0.038 A 
ATOM     17  C   LIG    1        4.489   0.578  -0.032  0.00  0.00    +0.123 A 
ATOM     18  F   LIG    1        5.710   1.122  -0.113  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1        3.798   0.622   1.173  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1        2.525   0.056   1.257  0.00  0.00    +0.008 A 
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   2  11
TORSDOF 5