REMARK  Name = BDB046426
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.971  -0.675  -0.180  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1       -1.599   0.582  -0.001  0.00  0.00    +0.001 A 
ATOM      3  C   LIG    1       -1.505   1.168   1.283  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -0.766   0.607   2.344  0.00  0.00    -0.041 A 
ATOM      5  C   LIG    1       -0.063  -0.571   2.076  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -0.139  -1.217   0.828  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -2.303   1.347  -1.156  0.00  0.00    -0.009 C 
ATOM      8  C   LIG    1       -2.877   2.726  -0.735  0.00  0.00    +0.015 C 
ATOM      9  C   LIG    1       -1.282   1.639  -2.282  0.00  0.00    +0.015 C 
ATOM     10  C   LIG    1       -3.493   0.555  -1.731  0.00  0.00    +0.015 C 
ENDBRANCH   2   7
BRANCH   4  11
ATOM     11  C   LIG    1       -0.715   1.316   3.711  0.00  0.00    -0.013 C 
ATOM     12  C   LIG    1       -0.059   2.704   3.549  0.00  0.00    +0.015 C 
ATOM     13  C   LIG    1        0.092   0.550   4.784  0.00  0.00    +0.015 C 
ATOM     14  C   LIG    1       -2.147   1.490   4.264  0.00  0.00    +0.015 C 
ENDBRANCH   4  11
BRANCH   6  15
ATOM     15  C   LIG    1        0.765  -2.378   0.627  0.00  0.00    +0.065 C 
ATOM     16  C   LIG    1        1.824  -2.344  -0.214  0.00  0.00    +0.013 C 
BRANCH  15  17
ATOM     17  C   LIG    1        0.451  -3.595   1.459  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1        0.699  -3.394   2.780  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        1.194  -4.676   1.096  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -0.847  -3.978   1.354  0.00  0.00    -0.166 F 
ENDBRANCH  15  17
BRANCH  16  21
ATOM     21  C   LIG    1        2.254  -1.226  -1.034  0.00  0.00    +0.001 C 
ATOM     22  C   LIG    1        3.322  -1.285  -1.848  0.00  0.00    +0.003 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.802  -0.209  -2.718  0.00  0.00    -0.044 C 
ATOM     24  C   LIG    1        4.915  -0.420  -3.448  0.00  0.00    +0.094 C 
ATOM     25  C   LIG    1        3.016   1.081  -2.756  0.00  0.00    +0.044 C 
BRANCH  24  26
ATOM     26  C   LIG    1        5.468   0.578  -4.376  0.00  0.00    +0.330 C 
ATOM     27  O   LIG    1        4.918   0.952  -5.395  0.00  0.00    -0.246 OA
BRANCH  26  28
ATOM     28  O   LIG    1        6.676   1.004  -3.959  0.00  0.00    -0.478 OA
ATOM     29  H   LIG    1        6.928   0.668  -3.079  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH  22  23
ENDBRANCH  16  21
ENDBRANCH   6  15
BRANCH   1  30
ATOM     30  O   LIG    1       -1.126  -1.279  -1.403  0.00  0.00    -0.491 OA
BRANCH  30  32
ATOM     31  C   LIG    1       -2.921  -2.840  -0.642  0.00  0.00    +0.048 C 
ATOM     32  C   LIG    1       -1.629  -2.621  -1.417  0.00  0.00    +0.226 C 
ENDBRANCH  30  32
ENDBRANCH   1  30
TORSDOF 10