REMARK  Name = BDB009087
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.274  -0.932  -2.861  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -2.303  -0.431  -2.306  0.00  0.00    +0.268 A 
ATOM      3  C   LIG    1       -2.188  -0.367  -0.827  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1       -3.357  -0.936  -0.066  0.00  0.00    +0.041 C 
ATOM      5  C   LIG    1       -3.335  -0.604   1.425  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -1.925  -0.724   1.984  0.00  0.00    +0.005 C 
ATOM      7  C   LIG    1       -0.973   0.229   1.253  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1       -1.099   0.175  -0.246  0.00  0.00    -0.015 A 
ATOM      9  C   LIG    1       -0.033   0.691  -1.175  0.00  0.00    +0.081 A 
ATOM     10  N   LIG    1       -0.137   0.643  -2.473  0.00  0.00    -0.175 NA
ATOM     11  N   LIG    1       -1.259   0.102  -3.005  0.00  0.00    -0.243 N 
ATOM     12  H   LIG    1       -1.318   0.072  -4.018  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1        1.287   1.295  -0.673  0.00  0.00    +0.173 C 
BRANCH  13  14
ATOM     14  C   LIG    1        2.151   0.321   0.122  0.00  0.00    -0.030 A 
ATOM     15  C   LIG    1        2.780   0.672   1.327  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        3.576  -0.249   2.014  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        3.767  -1.530   1.503  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        3.171  -1.890   0.299  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        2.376  -0.972  -0.390  0.00  0.00    +0.004 A 
ENDBRANCH  13  14
BRANCH  13  20
ATOM     20  C   LIG    1        1.020   2.680  -0.105  0.00  0.00    +0.402 C 
ATOM     21  F   LIG    1        0.179   3.396  -0.886  0.00  0.00    -0.170 F 
ATOM     22  F   LIG    1        2.170   3.396  -0.018  0.00  0.00    -0.170 F 
ATOM     23  F   LIG    1        0.486   2.651   1.135  0.00  0.00    -0.170 F 
ENDBRANCH  13  20
ENDBRANCH   9  13
TORSDOF 3