REMARK  Name = BDB035652
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.674  -0.637  -0.831  0.00  0.00    -0.263 N 
ATOM      2  C   LIG    1        1.796  -0.740  -1.658  0.00  0.00    +0.251 C 
ATOM      3  O   LIG    1        1.900  -0.918  -2.858  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.976  -0.578  -0.801  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        4.313  -0.610  -1.159  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        5.276  -0.428  -0.154  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1        4.843  -0.219   1.179  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1        3.477  -0.193   1.529  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1        2.553  -0.376   0.505  0.00  0.00    -0.006 A 
ATOM     10  C   LIG    1        1.059  -0.403   0.557  0.00  0.00    +0.150 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -3.100  -0.679  -0.625  0.00  0.00    -0.032 A 
ATOM     12  C   LIG    1       -1.724  -0.598  -0.293  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -0.686  -0.739  -1.232  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1       -1.049  -0.980  -2.558  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -2.391  -1.073  -2.929  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -3.397  -0.923  -1.977  0.00  0.00    +0.005 A 
BRANCH  11  17
ATOM     17  C   LIG    1       -4.224  -0.483   0.502  0.00  0.00    +0.055 C 
ATOM     18  C   LIG    1       -4.234  -1.568   1.642  0.00  0.00    +0.019 C 
ATOM     19  C   LIG    1       -5.768  -1.463   1.669  0.00  0.00    +0.003 C 
ATOM     20  C   LIG    1       -5.696  -0.947   0.221  0.00  0.00    +0.019 C 
BRANCH  17  23
ATOM     21  C   LIG    1       -4.647   2.329  -1.030  0.00  0.00    +0.151 C 
ATOM     22  N   LIG    1       -4.346   2.167   0.365  0.00  0.00    -0.320 N 
ATOM     23  C   LIG    1       -4.157   1.004   1.061  0.00  0.00    +0.144 A 
ATOM     24  N   LIG    1       -3.858   1.302   2.309  0.00  0.00    -0.134 NA
ATOM     25  N   LIG    1       -3.866   2.670   2.436  0.00  0.00    -0.138 NA
ATOM     26  C   LIG    1       -4.159   3.175   1.261  0.00  0.00    +0.224 A 
ENDBRANCH  17  23
ENDBRANCH  11  17
ENDBRANCH   1  13
BRANCH   8  27
ATOM     27  C   LIG    1        3.027   0.023   2.950  0.00  0.00    +0.418 C 
ATOM     28  F   LIG    1        4.048   0.158   3.837  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        2.266   1.144   3.076  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        2.258  -1.003   3.407  0.00  0.00    -0.166 F 
ENDBRANCH   8  27
BRANCH   6  31
ATOM     31  C   LIG    1        6.749  -0.452  -0.525  0.00  0.00    +0.170 C 
BRANCH  31  32
ATOM     32  O   LIG    1        7.553  -0.651   0.641  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1        8.018   0.195   0.796  0.00  0.00    +0.210 HD
ENDBRANCH  31  32
BRANCH  31  34
ATOM     34  C   LIG    1        7.201   0.831  -1.247  0.00  0.00    +0.192 C 
BRANCH  34  35
ATOM     35  O   LIG    1        7.285   1.917  -0.317  0.00  0.00    -0.392 OA
ATOM     36  H   LIG    1        6.372   2.145  -0.062  0.00  0.00    +0.210 HD
ENDBRANCH  34  35
ENDBRANCH  31  34
ENDBRANCH   6  31
TORSDOF 8