REMARK  Name = BDB050614
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.007  -0.293  -0.718  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1       -1.874  -1.458  -1.474  0.00  0.00    +0.130 A 
ATOM      3  F   LIG    1       -2.489  -1.549  -2.662  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.107  -2.534  -1.033  0.00  0.00    +0.084 A 
ATOM      5  C   LIG    1       -0.454  -2.466   0.199  0.00  0.00    +0.127 A 
ATOM      6  C   LIG    1       -0.584  -1.308   0.988  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -1.353  -0.227   0.516  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   5   8
ATOM      8  O   LIG    1        0.347  -3.454   0.712  0.00  0.00    -0.495 OA
ATOM      9  C   LIG    1        0.355  -4.702   0.028  0.00  0.00    +0.277 C 
ENDBRANCH   5   8
BRANCH   1  10
ATOM     10  C   LIG    1       -2.846   0.857  -1.214  0.00  0.00    +0.052 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -4.356   0.622  -1.053  0.00  0.00    +0.102 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -5.197   1.688  -3.217  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -5.208   1.731  -1.695  0.00  0.00    +0.011 C 
ENDBRANCH  11  13
BRANCH  11  14
ATOM     14  C   LIG    1       -4.744   0.463   0.408  0.00  0.00    +0.308 C 
ATOM     15  O   LIG    1       -5.231  -0.561   0.867  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -4.526   1.552   1.177  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -4.146   2.320   0.715  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   6  18
ATOM     18  C   LIG    1        0.115  -1.175   2.321  0.00  0.00    +0.143 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.492  -0.771   2.144  0.00  0.00    -0.307 N 
ATOM     20  H   LIG    1        2.097  -1.463   1.724  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1        1.849   0.558   2.087  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1        1.066   1.483   2.273  0.00  0.00    -0.270 OA
BRANCH  21  23
ATOM     23  C   LIG    1        3.269   0.844   1.738  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        3.572   2.068   1.131  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        4.891   2.379   0.788  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1        5.928   1.471   1.049  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1        5.621   0.255   1.681  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        4.301  -0.058   2.024  0.00  0.00    +0.013 A 
BRANCH  26  29
ATOM     29  C   LIG    1        7.357   1.815   0.701  0.00  0.00    +0.417 C 
ATOM     30  F   LIG    1        7.461   2.651  -0.369  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        8.005   2.433   1.726  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        8.106   0.720   0.391  0.00  0.00    -0.166 F 
ENDBRANCH  26  29
ENDBRANCH  21  23
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 10