REMARK  Name = BDB039951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.399  -0.969  -0.954  0.00  0.00    -0.032 A 
ATOM      2  C   LIG    1        0.165  -0.719  -0.304  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1       -0.895  -0.013  -0.895  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1       -0.709   0.460  -2.199  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        0.492   0.241  -2.873  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.526  -0.460  -2.257  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.117   0.219  -0.204  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1       -2.412  -0.139   1.115  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1       -1.739  -0.694   1.965  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -3.791   0.292   1.377  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1       -4.532   0.148   2.535  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -5.837   0.639   2.529  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -6.364   1.250   1.377  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -5.597   1.392   0.203  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -4.295   0.897   0.230  0.00  0.00    -0.009 A 
ATOM     16  C   LIG    1       -3.241   0.902  -0.831  0.00  0.00    +0.150 C 
BRANCH  14  17
ATOM     17  C   LIG    1       -6.199   2.014  -1.026  0.00  0.00    +0.372 C 
ATOM     18  F   LIG    1       -5.268   2.479  -1.905  0.00  0.00    -0.204 F 
ATOM     19  F   LIG    1       -7.001   3.077  -0.742  0.00  0.00    -0.204 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  20
ATOM     20  C   LIG    1        2.582  -1.784  -0.214  0.00  0.00    +0.080 C 
ATOM     21  C   LIG    1        2.152  -3.130   0.430  0.00  0.00    +0.177 C 
ATOM     22  O   LIG    1        3.241  -3.838  -0.204  0.00  0.00    -0.378 OA
ATOM     23  C   LIG    1        3.506  -2.699  -1.057  0.00  0.00    +0.177 C 
BRANCH  20  24
ATOM     24  C   LIG    1        3.334  -0.878   0.774  0.00  0.00    +0.248 C 
ATOM     25  F   LIG    1        4.056  -1.658   1.638  0.00  0.00    -0.236 F 
BRANCH  24  28
ATOM     26  C   LIG    1        5.410   0.841   2.262  0.00  0.00    +0.151 C 
ATOM     27  N   LIG    1        5.167   0.862   0.844  0.00  0.00    -0.318 N 
ATOM     28  C   LIG    1        4.254   0.115   0.143  0.00  0.00    +0.168 A 
ATOM     29  N   LIG    1        4.371   0.419  -1.136  0.00  0.00    -0.132 NA
ATOM     30  N   LIG    1        5.351   1.372  -1.268  0.00  0.00    -0.138 NA
ATOM     31  C   LIG    1        5.821   1.626  -0.071  0.00  0.00    +0.224 A 
ENDBRANCH  24  28
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 5