REMARK  Name = BDB023091
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.504  -1.062   0.731  0.00  0.00    +0.120 C 
ATOM      2  C   LIG    1       -0.347  -0.575   1.932  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1       -1.623   0.059   1.345  0.00  0.00    +0.151 C 
ATOM      4  C   LIG    1       -1.793  -0.654   0.004  0.00  0.00    +0.055 C 
ATOM      5  C   LIG    1       -0.340  -0.672  -0.494  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        6.130   0.930  -0.225  0.00  0.00    -0.064 NA
ATOM      7  C   LIG    1        4.990   0.551  -0.715  0.00  0.00    +0.203 A 
ATOM      8  C   LIG    1        3.946   0.121   0.203  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1        3.900  -0.041   1.604  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        2.646  -0.531   1.910  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1        1.887  -0.598   0.751  0.00  0.00    -0.328 N 
ATOM     12  C   LIG    1        2.717  -0.265  -0.287  0.00  0.00    +0.124 A 
ATOM     13  N   LIG    1        2.488  -0.280  -1.613  0.00  0.00    -0.332 N 
ATOM     14  H   LIG    1        1.645  -0.624  -2.050  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1        3.522   0.122  -2.431  0.00  0.00    +0.200 A 
ATOM     16  N   LIG    1        4.699   0.523  -2.072  0.00  0.00    -0.215 NA
BRANCH   6  18
ATOM     17  C   LIG    1        8.246   1.706  -0.644  0.00  0.00    +0.313 C 
ATOM     18  O   LIG    1        7.021   1.309  -1.245  0.00  0.00    -0.395 OA
ENDBRANCH   6  18
ENDBRANCH   1  11
BRANCH   2  19
ATOM     19  O   LIG    1       -0.704  -1.706   2.741  0.00  0.00    -0.387 OA
ATOM     20  H   LIG    1       -1.582  -1.474   3.115  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   3  21
ATOM     21  O   LIG    1       -2.705  -0.174   2.242  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -3.437   0.412   1.981  0.00  0.00    +0.210 HD
ENDBRANCH   3  21
BRANCH   4  23
ATOM     23  C   LIG    1       -2.735   0.028  -1.003  0.00  0.00    +0.150 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.199  -0.014  -0.608  0.00  0.00    -0.016 A 
ATOM     25  C   LIG    1       -4.879   1.124  -0.140  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1       -6.224   1.043   0.215  0.00  0.00    +0.159 A 
ATOM     27  F   LIG    1       -6.849   2.141   0.661  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1       -6.909  -0.160   0.114  0.00  0.00    +0.158 A 
ATOM     29  F   LIG    1       -8.201  -0.234   0.457  0.00  0.00    -0.202 F 
ATOM     30  C   LIG    1       -6.257  -1.299  -0.344  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1       -4.907  -1.226  -0.703  0.00  0.00    +0.009 A 
ENDBRANCH  23  24
BRANCH  23  32
ATOM     32  O   LIG    1       -2.308   1.369  -1.234  0.00  0.00    -0.387 OA
ATOM     33  H   LIG    1       -2.868   1.728  -1.945  0.00  0.00    +0.210 HD
ENDBRANCH  23  32
ENDBRANCH   4  23
TORSDOF 7