REMARK  Name = BDB042474
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.712   1.188  -2.570  0.00  0.00    +0.054 C 
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1       -1.703  -1.581   1.870  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1       -1.902  -0.130   2.220  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1       -2.197   0.848   1.243  0.00  0.00    -0.005 A 
ATOM      5  C   LIG    1       -2.342   2.194   1.637  0.00  0.00    +0.082 A 
ATOM      6  C   LIG    1       -2.626   3.223   0.606  0.00  0.00    +0.259 A 
ATOM      7  N   LIG    1       -2.715   2.776  -0.694  0.00  0.00    -0.326 N 
ATOM      8  H   LIG    1       -2.903   3.499  -1.379  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -2.572   1.470  -1.094  0.00  0.00    +0.020 A 
ATOM     10  O   LIG    1       -2.774   4.411   0.863  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -2.209   2.554   2.976  0.00  0.00    +0.136 A 
ATOM     12  F   LIG    1       -2.343   3.824   3.383  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -1.925   1.592   3.939  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -2.343   0.512  -0.182  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -1.770   0.259   3.564  0.00  0.00    +0.007 A 
ENDBRANCH   1   9
BRANCH   1  16
ATOM     16  C   LIG    1       -1.503   1.635  -3.408  0.00  0.00    +0.021 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.418   0.558  -3.580  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  N   LIG    1        0.150   0.041  -2.331  0.00  0.00    -0.299 NA
ATOM     19  C   LIG    1        0.992   1.049  -1.639  0.00  0.00    +0.103 C 
ATOM     20  C   LIG    1        1.609   0.502  -0.330  0.00  0.00    +0.122 C 
ATOM     21  N   LIG    1        2.403  -0.717  -0.601  0.00  0.00    -0.313 N 
ATOM     22  C   LIG    1        1.610  -1.745  -1.306  0.00  0.00    +0.122 C 
ATOM     23  C   LIG    1        0.979  -1.159  -2.591  0.00  0.00    +0.103 C 
BRANCH  21  24
ATOM     24  C   LIG    1        3.016  -1.230   0.562  0.00  0.00    +0.121 A 
ATOM     25  N   LIG    1        2.670  -0.754   1.779  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1        3.289  -1.260   2.869  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1        4.264  -2.238   2.820  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        4.630  -2.720   1.573  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        4.004  -2.209   0.437  0.00  0.00    +0.043 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5