REMARK  Name = BDB008448
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.618   0.152   0.628  0.00  0.00    -0.342 N 
ATOM      2  C   LIG    1        0.573   1.498   0.954  0.00  0.00    +0.053 A 
ATOM      3  C   LIG    1       -0.733   1.941   0.705  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -1.082   3.270   0.955  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1       -2.447   3.769   0.729  0.00  0.00    +0.273 A 
ATOM      6  N   LIG    1       -3.492   3.013   0.245  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -4.338   3.573   0.169  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -3.679   1.741  -0.193  0.00  0.00    -0.175 NA
ATOM      9  C   LIG    1       -2.821   0.772  -0.219  0.00  0.00    +0.071 A 
ATOM     10  C   LIG    1       -3.276  -0.565  -0.808  0.00  0.00    +0.064 C 
ATOM     11  C   LIG    1       -2.554  -1.798  -0.198  0.00  0.00    -0.024 C 
ATOM     12  C   LIG    1       -1.007  -1.624  -0.251  0.00  0.00    +0.060 C 
ATOM     13  C   LIG    1       -3.021  -2.013   1.258  0.00  0.00    +0.011 C 
ATOM     14  C   LIG    1       -2.938  -3.049  -1.010  0.00  0.00    +0.011 C 
ATOM     15  O   LIG    1       -2.676   4.954   0.995  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -0.096   4.144   1.446  0.00  0.00    +0.052 A 
ATOM     17  C   LIG    1        1.193   3.690   1.677  0.00  0.00    +0.126 A 
ATOM     18  F   LIG    1        2.115   4.544   2.143  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1       -1.455   0.850   0.211  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1        1.561   2.367   1.441  0.00  0.00    +0.064 A 
ATOM     21  C   LIG    1       -0.620  -0.250   0.193  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1  22
ATOM     22  C   LIG    1        1.807  -0.686   0.728  0.00  0.00    +0.137 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.637  -0.645  -0.563  0.00  0.00    +0.105 C 
BRANCH  23  25
ATOM     24  C   LIG    1        4.827  -1.137   0.389  0.00  0.00    +0.104 C 
ATOM     25  N   LIG    1        3.788  -1.570  -0.550  0.00  0.00    -0.307 NA
ATOM     26  C   LIG    1        4.361  -1.673  -1.897  0.00  0.00    +0.104 C 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 3