REMARK  Name = BDB042462
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.445  -1.839  -0.007  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -0.459  -0.907  -0.694  0.00  0.00    -0.299 NA
ATOM      3  C   LIG    1       -1.623  -1.610  -1.281  0.00  0.00    +0.103 C 
ATOM      4  C   LIG    1       -2.920  -1.589  -0.438  0.00  0.00    +0.120 C 
ATOM      5  N   LIG    1       -3.330  -0.210  -0.122  0.00  0.00    -0.327 N 
ATOM      6  C   LIG    1       -2.272   0.811  -0.175  0.00  0.00    +0.120 C 
ATOM      7  C   LIG    1       -0.903   0.192   0.197  0.00  0.00    +0.103 C 
BRANCH   5   8
ATOM      8  C   LIG    1       -4.662   0.121   0.062  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -5.613  -0.837   0.449  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1       -6.963  -0.513   0.643  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -7.416   0.795   0.449  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -6.484   1.767   0.076  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1       -5.136   1.430  -0.113  0.00  0.00    +0.023 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -8.861   1.155   0.677  0.00  0.00    +0.417 C 
ATOM     15  F   LIG    1       -9.717   0.128   0.410  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -9.283   2.196  -0.095  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1       -9.108   1.521   1.965  0.00  0.00    -0.166 F 
ENDBRANCH  11  14
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        1.768  -1.206   0.447  0.00  0.00    +0.021 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.579  -0.632  -0.723  0.00  0.00    +0.054 C 
BRANCH  19  28
ATOM     20  O   LIG    1        4.855   2.836   1.521  0.00  0.00    -0.267 OA
ATOM     21  C   LIG    1        4.981   1.781   0.913  0.00  0.00    +0.259 A 
ATOM     22  C   LIG    1        6.295   1.145   0.653  0.00  0.00    +0.082 A 
ATOM     23  C   LIG    1        6.327  -0.065  -0.059  0.00  0.00    -0.008 A 
ATOM     24  C   LIG    1        7.558  -0.682  -0.317  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        8.745  -0.098   0.132  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        8.706   1.103   0.839  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        5.077  -0.673  -0.527  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1        3.904  -0.075  -0.266  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        7.483   1.720   1.098  0.00  0.00    +0.136 A 
ATOM     30  F   LIG    1        7.495   2.873   1.781  0.00  0.00    -0.205 F 
ATOM     31  N   LIG    1        3.876   1.114   0.425  0.00  0.00    -0.326 N 
ATOM     32  H   LIG    1        2.990   1.572   0.607  0.00  0.00    +0.169 HD
ENDBRANCH  19  28
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6