REMARK  Name = BDB031070
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.983   0.494   0.904  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -0.146  -0.032   0.382  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -0.897  -0.830   1.165  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -0.546  -1.106   2.485  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.618  -0.553   3.011  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        1.400   0.266   2.208  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1        5.238   0.326  -0.511  0.00  0.00    +0.143 A 
ATOM      8  C   LIG    1        3.980   0.236  -0.033  0.00  0.00    +0.139 A 
ATOM      9  N   LIG    1        3.039   1.214  -0.377  0.00  0.00    -0.294 N 
ATOM     10  C   LIG    1        3.328   2.275  -1.234  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1        2.270   3.019  -1.464  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1        1.263   2.440  -0.736  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1        4.660   2.379  -1.720  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1        1.712   1.353  -0.009  0.00  0.00    +0.092 A 
ATOM     15  C   LIG    1        5.573   1.452  -1.373  0.00  0.00    +0.051 A 
BRANCH   7  16
ATOM     16  O   LIG    1        6.290  -0.523  -0.296  0.00  0.00    -0.433 OA
BRANCH  16  18
ATOM     17  F   LIG    1        7.194  -2.412   0.493  0.00  0.00    -0.166 F 
ATOM     18  C   LIG    1        6.029  -1.722   0.415  0.00  0.00    +0.541 C 
ATOM     19  F   LIG    1        5.669  -1.419   1.687  0.00  0.00    -0.166 F 
ENDBRANCH  16  18
ENDBRANCH   7  16
ENDBRANCH   1  14
BRANCH   3  20
ATOM     20  N   LIG    1       -2.107  -1.365   0.665  0.00  0.00    -0.326 N 
ATOM     21  H   LIG    1       -2.120  -2.360   0.874  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.537  -1.107  -0.688  0.00  0.00    +0.073 C 
ATOM     23  C   LIG    1       -3.971  -1.659  -0.939  0.00  0.00    +0.031 C 
ATOM     24  C   LIG    1       -4.474  -0.260  -0.671  0.00  0.00    -0.001 C 
ATOM     25  C   LIG    1       -5.662   0.264  -1.418  0.00  0.00    +0.089 C 
ATOM     26  N   LIG    1       -6.466   0.066  -0.181  0.00  0.00    -0.315 NA
ATOM     27  H   LIG    1       -6.978  -0.816  -0.177  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -5.208   0.007   0.615  0.00  0.00    +0.089 C 
ATOM     29  C   LIG    1       -3.106   0.330  -0.879  0.00  0.00    +0.031 C 
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 5