REMARK  Name = BDB054180
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.633  -1.878   0.559  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1        0.344  -3.250   2.566  0.00  0.00    -0.247 OA
ATOM      3  C   LIG    1        0.020  -2.987   1.418  0.00  0.00    +0.346 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -0.930  -3.694   0.754  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1       -1.094  -3.316  -0.137  0.00  0.00    +0.295 HD
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1   6
ATOM      6  O   LIG    1       -0.260  -1.387  -0.449  0.00  0.00    -0.477 OA
BRANCH   6   7
ATOM      7  C   LIG    1       -1.328  -0.598  -0.133  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1       -1.836   0.134  -1.210  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1       -2.940   0.988  -1.055  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1       -3.548   1.080   0.203  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1       -3.053   0.342   1.277  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -1.948  -0.497   1.110  0.00  0.00    +0.046 A 
BRANCH   9  13
ATOM     13  C   LIG    1       -3.471   1.760  -2.237  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1       -2.481   2.314  -2.992  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -4.195   0.978  -3.083  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -4.290   2.791  -1.886  0.00  0.00    -0.166 F 
ENDBRANCH   9  13
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  17
ATOM     17  C   LIG    1        1.331  -0.789   1.394  0.00  0.00    +0.091 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.267   0.062   0.564  0.00  0.00    -0.043 A 
ATOM     19  C   LIG    1        3.576  -0.368   0.307  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        4.434   0.407  -0.475  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        3.993   1.616  -1.008  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        2.693   2.053  -0.758  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        1.834   1.281   0.025  0.00  0.00    +0.004 A 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 7