REMARK  Name = BDB029257
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.664  -0.554  -1.317  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -0.981   0.799  -1.516  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        0.472   0.355  -1.575  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1        0.537  -0.803  -0.572  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.817  -1.335  -0.457  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -5.264   0.315   1.865  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1       -4.716  -0.114   0.652  0.00  0.00    +0.094 A 
ATOM      8  C   LIG    1       -5.195  -0.656  -0.555  0.00  0.00    +0.153 A 
ATOM      9  C   LIG    1       -4.145  -0.874  -1.409  0.00  0.00    +0.129 A 
ATOM     10  N   LIG    1       -3.001  -0.482  -0.747  0.00  0.00    -0.300 N 
ATOM     11  F   LIG    1       -6.476  -0.908  -0.842  0.00  0.00    -0.203 F 
ATOM     12  C   LIG    1       -3.337  -0.011   0.505  0.00  0.00    +0.151 A 
ATOM     13  N   LIG    1       -2.481   0.474   1.423  0.00  0.00    -0.217 NA
ATOM     14  C   LIG    1       -3.123   0.863   2.543  0.00  0.00    +0.225 A 
ATOM     15  N   LIG    1       -4.442   0.818   2.805  0.00  0.00    -0.220 NA
BRANCH   6  16
ATOM     16  N   LIG    1       -6.615   0.268   2.159  0.00  0.00    -0.342 N 
ATOM     17  H   LIG    1       -6.863   0.867   2.936  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1       -7.247   0.237   1.369  0.00  0.00    +0.144 HD
ENDBRANCH   6  16
ENDBRANCH   1  10
BRANCH   2  19
ATOM     19  O   LIG    1       -1.353   1.465  -2.727  0.00  0.00    -0.385 OA
ATOM     20  H   LIG    1       -2.235   1.855  -2.581  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1        0.737  -0.143  -2.901  0.00  0.00    -0.386 OA
ATOM     22  H   LIG    1        0.359   0.530  -3.505  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   4  23
ATOM     23  C   LIG    1        1.014  -0.400   0.841  0.00  0.00    +0.176 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.506  -0.124   0.893  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1        3.407  -1.203   0.831  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        4.754  -0.922   0.864  0.00  0.00    -0.044 A 
ATOM     27  C   LIG    1        6.124  -1.532   0.837  0.00  0.00    +0.040 C 
ATOM     28  C   LIG    1        6.668  -0.069   0.943  0.00  0.00    +0.040 C 
ATOM     29  C   LIG    1        5.231   0.360   0.957  0.00  0.00    -0.044 A 
ATOM     30  C   LIG    1        4.392   1.445   1.025  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        3.016   1.195   0.993  0.00  0.00    +0.006 A 
ENDBRANCH  23  24
BRANCH  23  32
ATOM     32  O   LIG    1        0.277   0.728   1.317  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1       -0.646   0.415   1.436  0.00  0.00    +0.210 HD
ENDBRANCH  23  32
ENDBRANCH   4  23
TORSDOF 7