REMARK  Name = BDB046395
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.928  -0.736  -0.675  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -2.154  -0.985   0.465  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1       -0.915  -1.649   0.369  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -0.434  -2.041  -0.892  0.00  0.00    +0.124 A 
ATOM      5  C   LIG    1       -1.220  -1.820  -2.026  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.459  -1.179  -1.917  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   4   7
ATOM      7  O   LIG    1        0.805  -2.636  -0.913  0.00  0.00    -0.495 OA
ATOM      8  C   LIG    1        1.446  -2.710  -2.184  0.00  0.00    +0.277 C 
ENDBRANCH   4   7
BRANCH   1   9
ATOM      9  C   LIG    1       -4.240   0.007  -0.567  0.00  0.00    +0.049 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -4.209   1.397  -1.230  0.00  0.00    +0.102 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -3.586   2.768   0.870  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -3.254   2.406  -0.570  0.00  0.00    +0.011 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -5.594   1.992  -1.357  0.00  0.00    +0.308 C 
ATOM     14  O   LIG    1       -5.954   2.763  -2.234  0.00  0.00    -0.251 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -6.440   1.653  -0.368  0.00  0.00    -0.480 OA
ATOM     16  H   LIG    1       -7.262   2.149  -0.574  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1       -0.115  -1.884   1.630  0.00  0.00    +0.135 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.932  -0.806   1.864  0.00  0.00    +0.222 C 
ATOM     19  N   LIG    1        2.106  -1.052   1.170  0.00  0.00    -0.285 N 
ATOM     20  H   LIG    1        2.071  -1.839   0.529  0.00  0.00    +0.155 HD
ATOM     21  O   LIG    1        0.703   0.151   2.600  0.00  0.00    -0.275 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.288  -0.288   1.162  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1        4.319  -0.716   0.317  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1        5.524  -0.010   0.243  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        5.718   1.146   1.013  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1        4.688   1.566   1.866  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        3.484   0.855   1.938  0.00  0.00    +0.024 A 
BRANCH  25  28
ATOM     28  C   LIG    1        7.027   1.895   0.954  0.00  0.00    +0.417 C 
ATOM     29  F   LIG    1        7.977   1.337   1.755  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        6.926   3.196   1.342  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        7.565   1.923  -0.299  0.00  0.00    -0.166 F 
ENDBRANCH  25  28
ENDBRANCH  19  22
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 10