REMARK  Name = BDB063229
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.744  -0.200   1.195  0.00  0.00    +0.258 A 
ATOM      2  N   LIG    1       -0.779  -0.300   0.254  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.482  -0.494   0.685  0.00  0.00    +0.147 A 
ATOM      4  C   LIG    1        0.748  -0.622   2.033  0.00  0.00    +0.178 A 
ATOM      5  N   LIG    1       -0.226  -0.518   2.953  0.00  0.00    -0.151 NA
ATOM      6  N   LIG    1       -1.490  -0.297   2.519  0.00  0.00    -0.110 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -4.212   0.061   3.088  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -4.217   0.141   1.601  0.00  0.00    +0.114 A 
ATOM      9  N   LIG    1       -3.095   0.020   0.780  0.00  0.00    -0.263 N 
ATOM     10  C   LIG    1       -3.551   0.156  -0.531  0.00  0.00    +0.076 A 
ATOM     11  C   LIG    1       -4.924   0.350  -0.410  0.00  0.00    +0.090 A 
ATOM     12  C   LIG    1       -5.714   0.527  -1.557  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -5.104   0.504  -2.814  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -3.729   0.310  -2.926  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -2.927   0.133  -1.792  0.00  0.00    +0.028 A 
ATOM     16  N   LIG    1       -5.314   0.339   0.897  0.00  0.00    -0.232 NA
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  N   LIG    1        1.457  -0.611  -0.308  0.00  0.00    -0.298 N 
ATOM     18  H   LIG    1        1.016  -0.555  -1.222  0.00  0.00    +0.154 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.817  -0.260  -0.335  0.00  0.00    +0.032 A 
ATOM     20  C   LIG    1        3.422   0.584   0.602  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        4.792   0.870   0.537  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1        5.594   0.306  -0.463  0.00  0.00    +0.055 A 
ATOM     23  C   LIG    1        4.993  -0.534  -1.408  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1        3.624  -0.814  -1.340  0.00  0.00    +0.024 A 
BRANCH  22  25
ATOM     25  C   LIG    1        7.066   0.631  -0.545  0.00  0.00    +0.417 C 
ATOM     26  F   LIG    1        7.625   0.885   0.671  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        7.805  -0.374  -1.092  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        7.310   1.733  -1.307  0.00  0.00    -0.166 F 
ENDBRANCH  22  25
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 4