REMARK  Name = BDB061621
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.230   0.892  -0.953  0.00  0.00    -0.470 OA
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1       -3.970   2.425   0.835  0.00  0.00    +0.047 C 
ATOM      3  C   LIG    1       -3.250   1.472  -0.074  0.00  0.00    -0.005 A 
ATOM      4  C   LIG    1       -3.918   0.501  -0.836  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -3.211  -0.282  -1.763  0.00  0.00    -0.005 A 
ATOM      6  C   LIG    1       -3.896  -1.255  -2.681  0.00  0.00    +0.047 C 
ATOM      7  C   LIG    1       -1.808  -0.186  -1.817  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -1.124   0.713  -1.002  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1       -1.851   1.543  -0.147  0.00  0.00    +0.052 A 
BRANCH   4  10
ATOM     10  O   LIG    1       -5.280   0.374  -0.750  0.00  0.00    -0.475 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -5.756  -0.493   0.296  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -6.529  -1.641  -0.381  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1       -6.801   0.320   1.086  0.00  0.00    +0.067 C 
BRANCH  11  14
ATOM     14  C   LIG    1       -4.756  -1.097   1.320  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1       -4.547  -0.702   2.457  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -4.060  -2.155   0.849  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -3.426  -2.357   1.569  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   4  10
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  C   LIG    1        1.025   0.037  -1.768  0.00  0.00    +0.379 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.413   0.337  -1.521  0.00  0.00    -0.176 N 
ATOM     20  C   LIG    1        3.210  -0.288  -0.556  0.00  0.00    +0.354 A 
ATOM     21  O   LIG    1        2.881  -1.264   0.103  0.00  0.00    -0.244 OA
ATOM     22  N   LIG    1        4.394   0.434  -0.538  0.00  0.00    -0.250 N 
ATOM     23  C   LIG    1        4.201   1.423  -1.442  0.00  0.00    +0.230 A 
ATOM     24  N   LIG    1        3.056   1.427  -2.049  0.00  0.00    -0.154 NA
BRANCH  22  25
ATOM     25  C   LIG    1        5.541   0.209   0.262  0.00  0.00    +0.052 A 
ATOM     26  C   LIG    1        6.665   1.048   0.177  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1        7.802   0.830   0.968  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        7.851  -0.235   1.873  0.00  0.00    +0.055 A 
ATOM     29  C   LIG    1        6.742  -1.082   1.960  0.00  0.00    +0.014 A 
ATOM     30  C   LIG    1        5.606  -0.859   1.169  0.00  0.00    +0.027 A 
BRANCH  28  31
ATOM     31  C   LIG    1        9.086  -0.475   2.707  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1        9.600   0.675   3.226  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        8.873  -1.300   3.769  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       10.092  -1.042   1.987  0.00  0.00    -0.166 F 
ENDBRANCH  28  31
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9