REMARK  Name = BDB016443
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.283   0.676   1.370  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -0.068   0.575   0.899  0.00  0.00    +0.039 A 
ATOM      3  C   LIG    1       -0.914  -0.460   1.324  0.00  0.00    +0.077 A 
ATOM      4  N   LIG    1       -2.172  -0.612   0.890  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1       -2.642   0.278   0.005  0.00  0.00    +0.161 A 
ATOM      6  N   LIG    1       -1.952   1.332  -0.451  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -0.435  -1.371   2.248  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.847  -1.262   2.777  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -0.688   1.451   0.007  0.00  0.00    +0.125 A 
ATOM     10  C   LIG    1        1.689  -0.237   2.353  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.031   0.111  -0.457  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -4.612  -1.151  -0.730  0.00  0.00    +0.065 A 
ATOM     13  C   LIG    1       -5.966  -1.222  -1.125  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -6.737  -0.071  -1.276  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -6.169   1.172  -1.036  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.836   1.260  -0.633  0.00  0.00    +0.012 A 
BRANCH  12  17
ATOM     17  C   LIG    1       -3.824  -2.442  -0.628  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1       -4.439  -3.474  -1.286  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -3.672  -2.889   0.648  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -2.582  -2.379  -1.184  0.00  0.00    -0.166 F 
ENDBRANCH  12  17
ENDBRANCH   5  11
BRANCH   1  21
ATOM     21  N   LIG    1        2.103   1.740   0.956  0.00  0.00    -0.339 N 
ATOM     22  H   LIG    1        1.848   2.077   0.032  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.558   1.702   1.081  0.00  0.00    +0.137 C 
BRANCH  23  27
ATOM     24  C   LIG    1        5.275  -0.281  -2.359  0.00  0.00    +0.052 A 
ATOM     25  C   LIG    1        4.992  -1.008  -1.200  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1        4.444  -0.367  -0.085  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1        4.175   1.009  -0.113  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        4.455   1.730  -1.285  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1        5.005   1.090  -2.400  0.00  0.00    +0.019 A 
BRANCH  24  31
ATOM     30  N   LIG    1        6.301  -1.465  -4.427  0.00  0.00    -0.191 NA
ATOM     31  C   LIG    1        5.840  -0.937  -3.502  0.00  0.00    +0.099 C 
ENDBRANCH  24  31
ENDBRANCH  23  27
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 6