REMARK  Name = BDB049221
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.284   1.399   0.406  0.00  0.00    +0.079 C 
ATOM      2  C   LIG    1       -0.932   0.050   0.822  0.00  0.00    +0.053 C 
ATOM      3  C   LIG    1        0.249  -0.932   0.971  0.00  0.00    +0.095 C 
ATOM      4  N   LIG    1        1.443  -0.232   0.468  0.00  0.00    -0.293 NA
ATOM      5  C   LIG    1        1.191   1.175   0.803  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.978  -0.465  -0.139  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -3.311  -0.883   0.188  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -3.930  -1.297  -0.996  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -5.253  -1.766  -1.023  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -5.960  -1.814   0.181  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -5.368  -1.410   1.373  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1       -3.005  -1.144  -2.004  0.00  0.00    -0.349 N 
ATOM     13  C   LIG    1       -3.234  -1.462  -3.396  0.00  0.00    +0.149 C 
ATOM     14  C   LIG    1       -4.049  -0.945   1.390  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -1.831  -0.655  -1.502  0.00  0.00    +0.090 A 
ENDBRANCH   2   6
BRANCH   4  16
ATOM     16  C   LIG    1        2.694  -0.755   1.036  0.00  0.00    +0.088 C 
ATOM     17  C   LIG    1        3.926  -0.104   0.442  0.00  0.00    -0.024 A 
ATOM     18  C   LIG    1        4.464  -0.885  -0.594  0.00  0.00    -0.042 A 
ATOM     19  C   LIG    1        5.576  -0.472  -1.311  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1        6.172   0.741  -0.960  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1        5.647   1.506   0.087  0.00  0.00    +0.124 A 
ATOM     22  F   LIG    1        6.239   2.664   0.410  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1        3.665  -2.137  -0.774  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1        4.524   1.095   0.800  0.00  0.00    +0.043 A 
ATOM     25  C   LIG    1        2.973  -2.217   0.594  0.00  0.00    +0.028 C 
ENDBRANCH   4  16
BRANCH   1  27
ATOM     26  C   LIG    1       -2.297   2.754   0.681  0.00  0.00    +0.104 C 
ATOM     27  N   LIG    1       -0.879   2.614   1.031  0.00  0.00    -0.304 NA
ATOM     28  C   LIG    1       -0.165   3.827   0.616  0.00  0.00    +0.104 C 
ENDBRANCH   1  27
TORSDOF 3