REMARK  Name = BDB022008
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.889  -0.739  -0.235  0.00  0.00    +0.078 C 
ATOM      2  C   LIG    1       -0.049  -1.436   0.845  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1        1.441  -1.262   0.586  0.00  0.00    +0.108 C 
ATOM      4  N   LIG    1        1.830   0.141   0.459  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1        3.152   0.589   0.516  0.00  0.00    +0.220 C 
ATOM      6  O   LIG    1        3.425   1.790   0.498  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1        0.756   1.125   0.356  0.00  0.00    +0.108 C 
ATOM      8  C   LIG    1       -0.336   0.652  -0.599  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   1  10
ATOM      9  O   LIG    1       -2.728  -0.927   1.317  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -2.363  -0.657   0.179  0.00  0.00    +0.220 C 
ATOM     11  N   LIG    1       -3.181  -0.265  -0.869  0.00  0.00    -0.285 N 
ATOM     12  H   LIG    1       -2.732  -0.102  -1.762  0.00  0.00    +0.155 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -4.579  -0.075  -0.846  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1       -5.375  -0.249   0.288  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -6.766  -0.038   0.236  0.00  0.00    +0.057 A 
ATOM     16  C   LIG    1       -7.354   0.344  -0.977  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -6.567   0.522  -2.112  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -5.188   0.314  -2.046  0.00  0.00    +0.023 A 
BRANCH  15  19
ATOM     19  C   LIG    1       -7.601  -0.247   1.475  0.00  0.00    +0.417 C 
ATOM     20  F   LIG    1       -7.704  -1.561   1.818  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1       -7.098   0.390   2.568  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1       -8.882   0.202   1.344  0.00  0.00    -0.166 F 
ENDBRANCH  15  19
ENDBRANCH  11  13
ENDBRANCH   1  10
BRANCH   5  23
ATOM     23  C   LIG    1        4.230  -0.489   0.617  0.00  0.00    +0.131 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.633  -0.001   0.337  0.00  0.00    -0.039 A 
ATOM     25  C   LIG    1        6.429   0.507   1.373  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        7.723   0.960   1.113  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        8.232   0.915  -0.183  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.446   0.422  -1.222  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.150  -0.031  -0.965  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
ENDBRANCH   5  23
TORSDOF 5