REMARK  Name = BDB057374
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.906  -0.253   0.538  0.00  0.00    +0.071 C 
ATOM      2  C   LIG    1       -3.470  -0.179   0.149  0.00  0.00    +0.001 A 
ATOM      3  C   LIG    1       -2.961  -1.463   0.048  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -1.633  -1.704  -0.240  0.00  0.00    +0.091 A 
ATOM      5  C   LIG    1       -0.785  -0.612  -0.446  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1       -1.295   0.693  -0.342  0.00  0.00    +0.046 A 
ATOM      7  O   LIG    1       -3.887  -2.446   0.277  0.00  0.00    -0.491 OA
ATOM      8  C   LIG    1       -2.645   0.916  -0.036  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -5.151  -1.743   0.237  0.00  0.00    +0.238 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -5.827   0.684  -0.236  0.00  0.00    +0.132 C 
BRANCH  10  12
ATOM     11  O   LIG    1       -7.698  -0.215   1.049  0.00  0.00    -0.251 OA
ATOM     12  C   LIG    1       -7.253   0.558   0.219  0.00  0.00    +0.305 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -8.063   1.427  -0.416  0.00  0.00    -0.481 OA
ATOM     14  H   LIG    1       -8.953   1.251  -0.045  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   5  15
ATOM     15  O   LIG    1        0.509  -0.954  -0.728  0.00  0.00    -0.492 OA
BRANCH  15  16
ATOM     16  C   LIG    1        1.462   0.075  -0.996  0.00  0.00    +0.232 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.089   0.603   0.296  0.00  0.00    +0.082 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.884  -0.473   1.037  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        3.998  -0.920   0.264  0.00  0.00    -0.489 OA
BRANCH  19  20
ATOM     20  C   LIG    1        5.190  -0.258   0.358  0.00  0.00    +0.156 A 
ATOM     21  C   LIG    1        6.246  -0.812  -0.375  0.00  0.00    +0.165 A 
ATOM     22  F   LIG    1        6.050  -1.923  -1.103  0.00  0.00    -0.202 F 
ATOM     23  C   LIG    1        7.515  -0.238  -0.373  0.00  0.00    +0.042 A 
ATOM     24  C   LIG    1        7.747   0.916   0.370  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1        6.706   1.485   1.103  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        5.431   0.902   1.097  0.00  0.00    +0.048 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 9