REMARK  Name = BDB035927
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.482  -0.066  -0.136  0.00  0.00    -0.323 N 
ATOM      2  C   LIG    1       -2.183  -0.248   1.309  0.00  0.00    +0.084 C 
ATOM      3  C   LIG    1       -2.018   1.113   1.991  0.00  0.00    +0.029 C 
ATOM      4  C   LIG    1       -0.922  -1.142   1.495  0.00  0.00    +0.107 C 
ATOM      5  N   LIG    1        0.307  -0.615   0.868  0.00  0.00    -0.295 NA
ATOM      6  C   LIG    1        0.014   0.012  -0.440  0.00  0.00    +0.103 C 
ATOM      7  C   LIG    1       -1.361  -0.322  -1.064  0.00  0.00    +0.121 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -6.451  -0.241  -1.454  0.00  0.00    +0.125 A 
ATOM      9  N   LIG    1       -6.217   0.099  -0.161  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1       -4.910   0.144   0.214  0.00  0.00    +0.134 A 
ATOM     11  C   LIG    1       -3.797  -0.140  -0.594  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -4.120  -0.473  -1.918  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -5.446  -0.531  -2.359  0.00  0.00    +0.035 A 
BRANCH   8  17
ATOM     14  C   LIG    1      -10.206  -0.048  -1.072  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -8.784   0.061  -0.897  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -8.387   0.234   0.023  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -7.887  -0.298  -1.881  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -8.207  -0.648  -3.011  0.00  0.00    -0.269 OA
ENDBRANCH   8  17
ENDBRANCH   1  11
BRANCH   5  19
ATOM     19  C   LIG    1        1.335  -1.662   0.786  0.00  0.00    +0.121 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.718  -1.122   0.515  0.00  0.00    -0.015 A 
ATOM     21  C   LIG    1        3.239  -0.029   1.209  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        4.538   0.424   0.944  0.00  0.00    -0.014 A 
ATOM     23  C   LIG    1        5.078   1.607   1.678  0.00  0.00    +0.116 C 
ATOM     24  C   LIG    1        6.473   2.027   1.288  0.00  0.00    +0.172 C 
ATOM     25  C   LIG    1        7.212   1.289   0.225  0.00  0.00    +0.102 C 
ATOM     26  C   LIG    1        6.667   0.188  -0.343  0.00  0.00    -0.010 C 
ATOM     27  C   LIG    1        7.385  -0.689  -1.343  0.00  0.00    +0.046 C 
ATOM     28  O   LIG    1        6.999   2.975   1.871  0.00  0.00    -0.292 OA
ATOM     29  C   LIG    1        5.293  -0.248  -0.007  0.00  0.00    +0.071 A 
ATOM     30  N   LIG    1        4.810  -1.313  -0.685  0.00  0.00    -0.255 NA
ATOM     31  C   LIG    1        3.553  -1.729  -0.410  0.00  0.00    +0.116 A 
BRANCH  25  32
ATOM     32  C   LIG    1        8.533   1.923  -0.072  0.00  0.00    +0.421 C 
ATOM     33  F   LIG    1        9.419   1.759   0.944  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        8.432   3.256  -0.318  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1        9.139   1.414  -1.179  0.00  0.00    -0.166 F 
ENDBRANCH  25  32
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 5