REMARK  Name = BDB014247
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.670  -0.404  -0.653  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1       -2.570   0.381  -0.296  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -2.706   1.752  -0.108  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1       -1.436   2.268   0.240  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -0.541   1.212   0.261  0.00  0.00    +0.056 A 
ATOM      6  N   LIG    1       -3.882   2.408  -0.251  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1       -4.931   1.632  -0.596  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1       -1.250   0.079  -0.066  0.00  0.00    -0.353 N 
ATOM      9  H   LIG    1       -0.855  -0.853  -0.141  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1       -4.886   0.263  -0.804  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1       -4.545  -2.569  -1.182  0.00  0.00    -0.245 OA
ATOM     12  C   LIG    1       -3.607  -1.860  -0.870  0.00  0.00    +0.339 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -2.375  -2.374  -0.688  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1       -2.504  -3.331  -0.867  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   5  15
ATOM     15  C   LIG    1        0.918   1.183   0.572  0.00  0.00    +0.282 C 
BRANCH  15  16
ATOM     16  O   LIG    1        1.422  -0.073   0.120  0.00  0.00    -0.486 OA
BRANCH  16  17
ATOM     17  C   LIG    1        2.757  -0.309   0.304  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        3.668   0.555   0.918  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1        5.010   0.183   1.041  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1        5.434  -1.047   0.551  0.00  0.00    +0.124 A 
ATOM     21  F   LIG    1        6.721  -1.398   0.672  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        4.541  -1.915  -0.061  0.00  0.00    +0.042 A 
ATOM     23  C   LIG    1        3.201  -1.544  -0.183  0.00  0.00    +0.048 A 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 5