REMARK  Name = BDB062181
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.425   1.049   1.367  0.00  0.00    -0.005 A 
ATOM      2  C   LIG    1        0.351   0.397   0.710  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1        0.240  -0.367  -0.478  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -1.073  -0.746  -0.616  0.00  0.00    +0.095 A 
ATOM      5  N   LIG    1       -1.819  -0.246   0.440  0.00  0.00    -0.286 N 
ATOM      6  C   LIG    1       -3.207  -0.427   0.673  0.00  0.00    +0.253 C 
ATOM      7  O   LIG    1       -3.729   0.090   1.656  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -0.935   0.474   1.265  0.00  0.00    +0.057 A 
ATOM      9  C   LIG    1       -1.160   1.193   2.458  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -0.085   1.832   3.083  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        1.194   1.764   2.548  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1        4.658   0.164   0.096  0.00  0.00    -0.269 N 
ATOM     13  N   LIG    1        4.779   1.485  -0.129  0.00  0.00    -0.167 NA
ATOM     14  C   LIG    1        3.604   2.006   0.290  0.00  0.00    +0.173 A 
ATOM     15  C   LIG    1        2.752   0.982   0.797  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        3.475  -0.184   0.672  0.00  0.00    +0.117 A 
BRANCH  14  17
ATOM     17  C   LIG    1        3.285   3.475   0.211  0.00  0.00    +0.437 C 
ATOM     18  F   LIG    1        2.087   3.709  -0.392  0.00  0.00    -0.164 F 
ATOM     19  F   LIG    1        4.208   4.193  -0.485  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1        3.212   4.042   1.448  0.00  0.00    -0.164 F 
ENDBRANCH  14  17
BRANCH  12  21
ATOM     21  C   LIG    1        5.751  -0.725  -0.253  0.00  0.00    +0.156 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.763  -1.087  -1.734  0.00  0.00    +0.112 C 
BRANCH  22  24
ATOM     23  C   LIG    1        3.798  -2.782  -2.379  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        4.681  -2.023  -2.087  0.00  0.00    -0.104 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  12  21
ENDBRANCH   1  15
BRANCH   6  25
ATOM     25  C   LIG    1       -3.961  -1.280  -0.339  0.00  0.00    +0.173 C 
ATOM     26  N   LIG    1       -4.517  -0.437  -1.450  0.00  0.00    -0.257 N 
ATOM     27  C   LIG    1       -6.001  -0.377  -1.317  0.00  0.00    +0.117 C 
ATOM     28  C   LIG    1       -6.299  -0.896   0.077  0.00  0.00    +0.022 C 
ATOM     29  C   LIG    1       -5.204  -1.922   0.298  0.00  0.00    +0.034 C 
BRANCH  26  30
ATOM     30  C   LIG    1       -3.882  -0.197  -2.604  0.00  0.00    +0.170 C 
ATOM     31  N   LIG    1       -3.319  -0.022  -3.599  0.00  0.00    -0.174 NA
ENDBRANCH  26  30
ENDBRANCH   6  25
TORSDOF 7