REMARK  Name = BDB014251
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.312  -0.112  -0.789  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1       -3.247   0.412  -0.052  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -3.455   1.430   0.872  0.00  0.00    +0.090 A 
ATOM      4  C   LIG    1       -2.204   1.748   1.452  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -1.250   0.926   0.879  0.00  0.00    +0.056 A 
ATOM      6  N   LIG    1       -4.671   1.972   1.119  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1       -5.685   1.452   0.397  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1       -1.904   0.124  -0.028  0.00  0.00    -0.353 N 
ATOM      9  H   LIG    1       -1.459  -0.577  -0.611  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1       -5.570   0.441  -0.543  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1       -5.080  -1.664  -2.443  0.00  0.00    -0.245 OA
ATOM     12  C   LIG    1       -4.173  -1.189  -1.785  0.00  0.00    +0.339 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -2.908  -1.631  -1.920  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1       -2.988  -2.330  -2.605  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   5  15
ATOM     15  C   LIG    1        0.219   0.828   1.123  0.00  0.00    +0.282 C 
BRANCH  15  16
ATOM     16  O   LIG    1        0.777   0.072   0.049  0.00  0.00    -0.486 OA
BRANCH  16  17
ATOM     17  C   LIG    1        2.129  -0.131   0.070  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        2.627  -0.848  -1.020  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        3.991  -1.130  -1.127  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1        4.885  -0.692  -0.141  0.00  0.00    +0.055 A 
ATOM     21  C   LIG    1        4.378   0.019   0.957  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1        3.010   0.301   1.061  0.00  0.00    +0.046 A 
BRANCH  20  23
ATOM     23  C   LIG    1        6.356  -1.012  -0.238  0.00  0.00    +0.417 C 
ATOM     24  F   LIG    1        6.670  -2.188   0.373  0.00  0.00    -0.166 F 
ATOM     25  F   LIG    1        7.147  -0.067   0.342  0.00  0.00    -0.166 F 
ATOM     26  F   LIG    1        6.796  -1.128  -1.522  0.00  0.00    -0.166 F 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 6