REMARK  Name = BDB027938
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.607  -0.962  -2.065  0.00  0.00    +0.130 C 
ATOM      2  N   LIG    1       -0.342  -0.250  -0.814  0.00  0.00    -0.321 N 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.478   0.008   0.104  0.00  0.00    +0.160 C 
ATOM      4  C   LIG    1       -2.512  -1.139   0.148  0.00  0.00    +0.240 C 
ATOM      5  O   LIG    1       -2.241  -2.331   0.008  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1       -3.813  -0.771   0.418  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -4.481  -1.528   0.468  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -4.308   0.485   0.660  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -5.489   0.656   0.944  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.313   1.618   0.627  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -2.163   1.311  -0.317  0.00  0.00    +0.041 C 
ENDBRANCH   2   3
BRANCH   2  12
ATOM     12  C   LIG    1        0.959  -0.213  -0.310  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        1.343   0.743   0.646  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1        2.647   0.805   1.156  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1        3.624  -0.096   0.724  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1        3.269  -1.041  -0.243  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        1.962  -1.092  -0.747  0.00  0.00    +0.023 A 
BRANCH  15  18
ATOM     18  C   LIG    1        5.033  -0.021   1.252  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1        5.674  -1.224   1.247  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        5.816   0.822   0.524  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        5.098   0.427   2.538  0.00  0.00    -0.166 F 
ENDBRANCH  15  18
ENDBRANCH   2  12
TORSDOF 3