REMARK  Name = BDB046258
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.465  -0.205  -1.429  0.00  0.00    +0.020 A 
ATOM      2  C   LIG    1       -0.799   0.638  -0.343  0.00  0.00    +0.132 A 
ATOM      3  C   LIG    1       -1.533   0.153   0.763  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1       -2.037  -1.165   0.656  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -1.780  -2.017  -0.438  0.00  0.00    -0.041 A 
ATOM      6  C   LIG    1       -0.967  -1.516  -1.459  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.805   0.981   2.046  0.00  0.00    -0.009 C 
ATOM      8  C   LIG    1       -2.231   0.108   3.259  0.00  0.00    +0.015 C 
ATOM      9  C   LIG    1       -2.958   1.967   1.780  0.00  0.00    +0.015 C 
ATOM     10  C   LIG    1       -0.556   1.757   2.529  0.00  0.00    +0.015 C 
ENDBRANCH   3   7
BRANCH   5  11
ATOM     11  C   LIG    1       -2.358  -3.445  -0.459  0.00  0.00    -0.013 C 
ATOM     12  C   LIG    1       -3.899  -3.384  -0.376  0.00  0.00    +0.015 C 
ATOM     13  C   LIG    1       -1.813  -4.243   0.745  0.00  0.00    +0.015 C 
ATOM     14  C   LIG    1       -2.006  -4.244  -1.735  0.00  0.00    +0.015 C 
ENDBRANCH   5  11
BRANCH   1  16
ATOM     15  C   LIG    1       -0.200   0.240  -3.904  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1        0.438   0.198  -2.538  0.00  0.00    -0.040 C 
ATOM     17  C   LIG    1        1.747   0.482  -2.374  0.00  0.00    +0.004 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.500   0.431  -1.135  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1        3.800   0.760  -1.056  0.00  0.00    +0.003 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.627   0.749   0.154  0.00  0.00    -0.044 C 
ATOM     21  C   LIG    1        5.896   1.196   0.061  0.00  0.00    +0.094 C 
ATOM     22  C   LIG    1        4.011   0.204   1.419  0.00  0.00    +0.044 C 
BRANCH  21  23
ATOM     23  C   LIG    1        6.896   1.323   1.131  0.00  0.00    +0.330 C 
ATOM     24  O   LIG    1        8.097   1.200   0.964  0.00  0.00    -0.246 OA
BRANCH  23  25
ATOM     25  O   LIG    1        6.386   1.692   2.313  0.00  0.00    -0.478 OA
ATOM     26  H   LIG    1        7.171   1.781   2.891  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  19  20
ENDBRANCH  17  18
ENDBRANCH   1  16
BRANCH   2  27
ATOM     27  O   LIG    1       -0.336   1.932  -0.311  0.00  0.00    -0.482 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -1.004   2.779  -1.261  0.00  0.00    +0.342 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -0.779   4.245  -0.922  0.00  0.00    +0.424 C 
ATOM     30  F   LIG    1       -1.417   5.035  -1.821  0.00  0.00    -0.167 F 
ATOM     31  F   LIG    1        0.530   4.578  -0.960  0.00  0.00    -0.167 F 
ATOM     32  F   LIG    1       -1.258   4.566   0.299  0.00  0.00    -0.167 F 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   2  27
TORSDOF 10