REMARK  Name = BDB018291
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.888   1.534   3.837  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.666   0.962   2.519  0.00  0.00    -0.317 N 
ATOM      3  C   LIG    1       -3.682   1.009   1.577  0.00  0.00    +0.255 A 
ATOM      4  O   LIG    1       -4.790   1.506   1.755  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.372   0.402   0.260  0.00  0.00    +0.116 A 
ATOM      6  C   LIG    1       -2.180  -0.169   0.019  0.00  0.00    +0.135 A 
ATOM      7  C   LIG    1       -1.148  -0.208   1.070  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -1.446   0.363   2.256  0.00  0.00    +0.101 A 
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        0.131  -0.832   0.866  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        1.355  -0.354   1.284  0.00  0.00    +0.117 A 
ATOM     11  N   LIG    1        2.287  -1.264   0.861  0.00  0.00    -0.267 N 
ATOM     12  N   LIG    1        1.743  -2.329   0.234  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1        0.435  -2.052   0.223  0.00  0.00    +0.143 A 
BRANCH  11  14
ATOM     14  C   LIG    1        3.727  -1.200   1.075  0.00  0.00    +0.178 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.375  -0.127   0.235  0.00  0.00    -0.026 A 
ATOM     16  C   LIG    1        4.985   0.982   0.839  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        5.588   1.971   0.059  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.588   1.861  -1.331  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.988   0.762  -1.942  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        4.386  -0.228  -1.165  0.00  0.00    +0.005 A 
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   7   9
BRANCH   6  21
ATOM     21  O   LIG    1       -1.789  -0.735  -1.176  0.00  0.00    -0.491 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.660  -0.728  -2.308  0.00  0.00    +0.238 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.579  -1.938  -2.274  0.00  0.00    +0.154 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.466  -1.955  -3.489  0.00  0.00    +0.393 C 
ATOM     25  F   LIG    1       -5.239  -0.849  -3.540  0.00  0.00    -0.171 F 
ATOM     26  F   LIG    1       -5.286  -3.028  -3.468  0.00  0.00    -0.171 F 
ATOM     27  F   LIG    1       -3.744  -2.011  -4.626  0.00  0.00    -0.171 F 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 7