REMARK  Name = BDB039941
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.189  -0.528  -1.595  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1       -0.019  -0.172  -0.891  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        0.998  -1.096  -0.585  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        0.818  -2.416  -1.005  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -0.331  -2.800  -1.700  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.321  -1.865  -1.991  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        2.159  -0.686   0.128  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1        3.237  -1.497   0.503  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1        3.448  -2.683   0.336  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        4.194  -0.636   1.210  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        5.412  -0.973   1.769  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        6.139   0.041   2.392  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.636   1.355   2.441  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        4.393   1.684   1.866  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1        3.684   0.657   1.249  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1        2.358   0.691   0.560  0.00  0.00    +0.150 C 
BRANCH  14  17
ATOM     17  C   LIG    1        3.844   3.084   1.914  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1        3.611   3.588   0.671  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        2.650   3.145   2.566  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        4.660   3.976   2.536  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  21
ATOM     21  C   LIG    1       -2.278   0.506  -1.893  0.00  0.00    +0.067 C 
ATOM     22  C   LIG    1       -1.859   1.740  -2.696  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -2.713   0.695  -3.344  0.00  0.00    +0.019 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -3.329   0.673  -0.787  0.00  0.00    +0.316 C 
ATOM     25  F   LIG    1       -4.067   1.800  -1.039  0.00  0.00    -0.196 F 
ATOM     26  F   LIG    1       -2.660   0.966   0.373  0.00  0.00    -0.196 F 
BRANCH  24  29
ATOM     27  C   LIG    1       -4.796  -0.039   1.844  0.00  0.00    +0.152 C 
ATOM     28  N   LIG    1       -4.889  -0.762   0.604  0.00  0.00    -0.316 N 
ATOM     29  C   LIG    1       -4.260  -0.479  -0.582  0.00  0.00    +0.203 A 
ATOM     30  N   LIG    1       -4.652  -1.369  -1.478  0.00  0.00    -0.128 NA
ATOM     31  N   LIG    1       -5.513  -2.248  -0.868  0.00  0.00    -0.138 NA
ATOM     32  C   LIG    1       -5.646  -1.871   0.381  0.00  0.00    +0.225 A 
ENDBRANCH  24  29
ENDBRANCH  21  24
ENDBRANCH   1  21
TORSDOF 5