REMARK  Name = BDB008517
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.109   0.410  -0.441  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1       -0.044  -0.248  -0.227  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.188   0.458  -0.211  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1       -1.237   1.780  -0.414  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1       -0.075   2.407  -0.654  0.00  0.00    +0.118 A 
ATOM      6  C   LIG    1        1.136   1.765  -0.682  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        2.266  -0.377  -0.466  0.00  0.00    -0.299 N 
ATOM      8  H   LIG    1        1.994  -1.346  -0.328  0.00  0.00    +0.154 HD
BRANCH   7  11
ATOM      9  C   LIG    1        5.941  -0.761  -0.088  0.00  0.00    +0.057 A 
ATOM     10  C   LIG    1        4.603  -0.963  -0.469  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1        3.576  -0.117  -0.025  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1        3.915   0.950   0.813  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1        5.241   1.169   1.198  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        6.250   0.322   0.746  0.00  0.00    +0.012 A 
BRANCH   9  16
ATOM     15  F   LIG    1        6.606  -2.955  -0.779  0.00  0.00    -0.166 F 
ATOM     16  C   LIG    1        7.026  -1.671  -0.604  0.00  0.00    +0.417 C 
ATOM     17  F   LIG    1        8.105  -1.745   0.225  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1        7.509  -1.268  -1.811  0.00  0.00    -0.166 F 
ENDBRANCH   9  16
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  N   LIG    1       -2.334  -0.296   0.035  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1       -2.064  -1.260   0.158  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.694   0.007   0.145  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1       -4.595  -1.041   0.402  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1       -5.978  -0.820   0.531  0.00  0.00    +0.057 A 
ATOM     24  C   LIG    1       -6.471   0.481   0.382  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -5.596   1.532   0.126  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -4.223   1.294   0.010  0.00  0.00    +0.023 A 
BRANCH  23  27
ATOM     27  C   LIG    1       -6.914  -1.974   0.786  0.00  0.00    +0.417 C 
ATOM     28  F   LIG    1       -7.330  -2.567  -0.367  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -8.047  -1.611   1.450  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1       -6.349  -2.964   1.532  0.00  0.00    -0.166 F 
ENDBRANCH  23  27
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 6