REMARK  Name = BDB050620
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.058  -0.168   0.940  0.00  0.00    -0.028 C 
ATOM      2  C   LIG    1       -2.762   0.347  -0.246  0.00  0.00    -0.011 A 
ATOM      3  C   LIG    1       -1.856   0.457  -1.320  0.00  0.00    -0.010 A 
ATOM      4  C   LIG    1       -2.254   0.922  -2.564  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -3.593   1.283  -2.729  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -4.491   1.170  -1.660  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1       -5.770   1.526  -1.845  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -0.565  -0.000  -0.797  0.00  0.00    -0.016 C 
ATOM      9  C   LIG    1        0.579  -0.059  -1.494  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1       -4.091   0.702  -0.409  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -0.771  -0.360   0.596  0.00  0.00    +0.013 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        1.859  -0.525  -0.937  0.00  0.00    -0.017 A 
ATOM     13  C   LIG    1        2.795   0.361  -0.338  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1        4.000  -0.176   0.180  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1        4.945   0.675   0.778  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        4.718   2.047   0.872  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        3.542   2.589   0.370  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        4.243  -1.556   0.095  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        3.314  -2.413  -0.493  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        2.592   1.757  -0.227  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1        2.128  -1.900  -1.006  0.00  0.00    +0.008 A 
ENDBRANCH   9  12
BRANCH   1  22
ATOM     22  C   LIG    1       -2.687  -0.379   2.273  0.00  0.00    +0.156 C 
BRANCH  22  24
ATOM     23  O   LIG    1       -3.901  -2.321   1.394  0.00  0.00    -0.251 OA
ATOM     24  C   LIG    1       -3.606  -1.593   2.327  0.00  0.00    +0.309 C 
BRANCH  24  25
ATOM     25  O   LIG    1       -4.109  -1.794   3.572  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -3.800  -1.151   4.238  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 4