REMARK  Name = BDB003495
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.109  -0.824   0.306  0.00  0.00    -0.298 N 
ATOM      2  C   LIG    1       -3.196   0.023  -0.059  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1       -4.442  -0.501  -0.457  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1       -5.503   0.347  -0.828  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1       -5.355   1.730  -0.821  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -4.140   2.290  -0.435  0.00  0.00    +0.057 A 
ATOM      7  S   LIG    1       -4.812  -2.238  -0.494  0.00  0.00    -0.086 S 
ATOM      8  C   LIG    1       -3.212  -2.971  -0.251  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1       -3.155  -4.368  -0.433  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1       -1.968  -5.067  -0.253  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -0.827  -4.374   0.111  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -0.880  -2.987   0.295  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1       -3.081   1.433  -0.072  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1       -2.069  -2.239   0.128  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   6  15
ATOM     15  C   LIG    1       -3.939   3.785  -0.445  0.00  0.00    +0.417 C 
ATOM     16  F   LIG    1       -3.108   4.215   0.545  0.00  0.00    -0.166 F 
ATOM     17  F   LIG    1       -3.393   4.228  -1.611  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1       -5.098   4.484  -0.285  0.00  0.00    -0.166 F 
ENDBRANCH   6  15
BRANCH   1  19
ATOM     19  C   LIG    1       -0.984  -0.206   1.046  0.00  0.00    +0.112 C 
BRANCH  19  20
ATOM     20  C   LIG    1        0.131   0.266   0.102  0.00  0.00    +0.035 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.309   0.831   0.907  0.00  0.00    +0.086 C 
BRANCH  21  26
ATOM     22  C   LIG    1        6.198  -0.223  -0.057  0.00  0.00    +0.105 C 
ATOM     23  N   LIG    1        5.356   0.959  -0.209  0.00  0.00    -0.303 NA
ATOM     24  C   LIG    1        4.389   0.815  -1.316  0.00  0.00    +0.099 C 
ATOM     25  C   LIG    1        2.962   0.433  -0.861  0.00  0.00    +0.100 C 
ATOM     26  N   LIG    1        2.352   1.420   0.058  0.00  0.00    -0.300 NA
ATOM     27  C   LIG    1        3.388   2.112   0.858  0.00  0.00    +0.100 C 
ATOM     28  C   LIG    1        4.680   1.290   1.061  0.00  0.00    +0.099 C 
ENDBRANCH  21  26
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 5