REMARK  Name = BDB038446
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.294  -1.897   0.037  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -0.257  -1.039  -0.365  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        0.963  -0.972   0.315  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        1.186  -1.887   1.351  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        0.185  -2.784   1.738  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.053  -2.777   1.097  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        1.930   0.007  -0.029  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1        1.693   1.153  -0.797  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1        0.665   1.576  -1.298  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        2.970   1.871  -0.892  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        3.260   3.035  -1.576  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        4.567   3.516  -1.504  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.543   2.829  -0.756  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        5.232   1.646  -0.059  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1        3.921   1.181  -0.146  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1        3.291  -0.021   0.484  0.00  0.00    +0.150 C 
BRANCH  14  17
ATOM     17  C   LIG    1        6.266   0.903   0.743  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1        7.475   1.524   0.791  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        6.499  -0.344   0.250  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        5.882   0.723   2.037  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  22
ATOM     21  C   LIG    1       -3.502  -0.774  -0.506  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -2.596  -1.853  -0.647  0.00  0.00    -0.009 A 
ATOM     23  C   LIG    1       -2.958  -2.930  -1.480  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1       -4.178  -2.945  -2.157  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -5.063  -1.883  -2.013  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.728  -0.806  -1.191  0.00  0.00    +0.010 A 
BRANCH  21  29
ATOM     27  C   LIG    1       -4.917   0.131   2.318  0.00  0.00    +0.068 C 
ATOM     28  C   LIG    1       -3.835   0.785   1.547  0.00  0.00    +0.064 A 
ATOM     29  C   LIG    1       -3.242   0.376   0.361  0.00  0.00    +0.069 A 
ATOM     30  N   LIG    1       -2.307   1.352   0.099  0.00  0.00    -0.344 N 
ATOM     31  H   LIG    1       -1.665   1.382  -0.683  0.00  0.00    +0.167 HD
ATOM     32  C   LIG    1       -2.358   2.268   1.109  0.00  0.00    +0.197 A 
ATOM     33  N   LIG    1       -3.278   1.963   1.993  0.00  0.00    -0.241 NA
ENDBRANCH  21  29
ENDBRANCH   1  22
TORSDOF 4