REMARK  Name = BDB042465
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.225  -2.524  -0.251  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        1.010  -1.748  -0.336  0.00  0.00    -0.299 NA
ATOM      3  C   LIG    1        1.034  -0.682  -1.343  0.00  0.00    +0.103 C 
ATOM      4  C   LIG    1        2.405   0.036  -1.394  0.00  0.00    +0.120 C 
ATOM      5  N   LIG    1        2.790   0.598  -0.076  0.00  0.00    -0.327 N 
ATOM      6  C   LIG    1        1.934   0.184   1.050  0.00  0.00    +0.120 C 
ATOM      7  C   LIG    1        1.552  -1.312   0.968  0.00  0.00    +0.103 C 
BRANCH   5   8
ATOM      8  C   LIG    1        4.162   0.796   0.096  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1        4.884   0.305   1.192  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1        6.261   0.530   1.328  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        6.964   1.270   0.371  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        6.261   1.764  -0.731  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1        4.886   1.531  -0.859  0.00  0.00    +0.023 A 
BRANCH  11  14
ATOM     14  C   LIG    1        8.448   1.496   0.506  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1        8.868   2.660  -0.065  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        8.867   1.547   1.802  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1        9.178   0.508  -0.083  0.00  0.00    -0.166 F 
ENDBRANCH  11  14
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -1.497  -1.765   0.157  0.00  0.00    +0.021 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.332  -1.305  -1.044  0.00  0.00    +0.054 C 
BRANCH  19  29
ATOM     20  O   LIG    1       -4.179   2.676   0.723  0.00  0.00    -0.267 OA
ATOM     21  C   LIG    1       -4.405   1.549   0.298  0.00  0.00    +0.257 A 
ATOM     22  C   LIG    1       -5.781   1.005   0.219  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1       -5.966  -0.295  -0.281  0.00  0.00    -0.011 A 
ATOM     24  C   LIG    1       -7.262  -0.818  -0.361  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1       -8.351  -0.048   0.053  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1       -8.144   1.238   0.545  0.00  0.00    +0.124 A 
ATOM     27  F   LIG    1       -9.197   1.966   0.939  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1       -4.805  -1.080  -0.708  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1       -3.571  -0.559  -0.614  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -6.869   1.777   0.634  0.00  0.00    +0.052 A 
ATOM     31  N   LIG    1       -3.394   0.718  -0.131  0.00  0.00    -0.326 N 
ATOM     32  H   LIG    1       -2.463   1.115  -0.072  0.00  0.00    +0.169 HD
ENDBRANCH  19  29
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6