REMARK  Name = BDB046384
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.340  -1.139  -0.476  0.00  0.00    -0.046 A 
ATOM      2  C   LIG    1       -1.260  -0.755   0.330  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -0.378   0.276  -0.055  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1       -0.574   0.925  -1.291  0.00  0.00    +0.132 A 
ATOM      5  C   LIG    1       -1.653   0.534  -2.096  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.522  -0.486  -1.694  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.724   0.590   0.918  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        1.529   1.669   0.643  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        1.410   2.126  -0.254  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        0.880  -0.105   1.919  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        2.702   1.986   1.420  0.00  0.00    +0.139 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.948   1.483   0.736  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        4.292   0.124   0.806  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        5.435  -0.369   0.157  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1        6.242   0.524  -0.563  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        5.905   1.876  -0.644  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        4.762   2.352  -0.002  0.00  0.00    +0.005 A 
BRANCH  14  18
ATOM     18  C   LIG    1        5.793  -1.831   0.260  0.00  0.00    +0.417 C 
ATOM     19  F   LIG    1        6.723  -2.225  -0.657  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        4.724  -2.655   0.076  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        6.312  -2.155   1.476  0.00  0.00    -0.166 F 
ENDBRANCH  14  18
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   4  22
ATOM     22  O   LIG    1        0.306   1.918  -1.646  0.00  0.00    -0.494 OA
ATOM     23  C   LIG    1        0.192   2.470  -2.954  0.00  0.00    +0.277 C 
ENDBRANCH   4  22
BRANCH   1  24
ATOM     24  C   LIG    1       -3.270  -2.243  -0.034  0.00  0.00    +0.049 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.557  -1.849   0.727  0.00  0.00    +0.102 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -4.411   0.614   1.544  0.00  0.00    +0.004 C 
ATOM     27  C   LIG    1       -4.360  -0.868   1.897  0.00  0.00    +0.011 C 
ENDBRANCH  25  27
BRANCH  25  28
ATOM     28  C   LIG    1       -5.693  -1.454  -0.207  0.00  0.00    +0.308 C 
ATOM     29  O   LIG    1       -5.588  -1.239  -1.404  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -6.896  -1.401   0.415  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1       -6.870  -1.618   1.365  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  25  28
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 10