REMARK  Name = BDB063390
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.135  -0.726   0.317  0.00  0.00    +0.285 C 
ATOM      2  N   LIG    1       -3.751  -0.529   0.252  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1       -3.079   0.766   0.102  0.00  0.00    +0.108 C 
ATOM      4  C   LIG    1       -1.870   0.650  -0.822  0.00  0.00    +0.029 C 
ATOM      5  C   LIG    1       -0.846  -0.340  -0.251  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1        0.127  -0.887  -1.322  0.00  0.00    +0.113 C 
ATOM      7  N   LIG    1        1.193  -0.686  -0.374  0.00  0.00    -0.325 N 
ATOM      8  C   LIG    1        0.427   0.297   0.354  0.00  0.00    +0.113 C 
ATOM      9  C   LIG    1       -1.475  -1.410   0.661  0.00  0.00    +0.029 C 
ATOM     10  C   LIG    1       -2.897  -1.720   0.210  0.00  0.00    +0.108 C 
ATOM     11  O   LIG    1       -5.596  -1.875   0.325  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        2.575  -0.657  -0.628  0.00  0.00    +0.100 C 
ATOM     13  C   LIG    1        3.410   0.240   0.267  0.00  0.00    +0.211 C 
ATOM     14  O   LIG    1        2.925   0.919   1.169  0.00  0.00    -0.285 OA
ATOM     15  C   LIG    1        4.860   0.325   0.071  0.00  0.00    +0.053 A 
ATOM     16  C   LIG    1        5.494  -0.411  -0.902  0.00  0.00    +0.123 A 
ATOM     17  N   LIG    1        6.837  -0.359  -1.121  0.00  0.00    -0.251 NA
ATOM     18  C   LIG    1        7.567   0.456  -0.331  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1        7.018   1.230   0.674  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        4.719  -1.312  -1.773  0.00  0.00    +0.225 C 
ATOM     21  O   LIG    1        5.276  -1.969  -2.647  0.00  0.00    -0.284 OA
ATOM     22  C   LIG    1        5.642   1.163   0.877  0.00  0.00    +0.015 A 
ATOM     23  C   LIG    1        3.245  -1.383  -1.550  0.00  0.00    +0.114 C 
ATOM     24 CL   LIG    1        2.451  -2.534  -2.590  0.00  0.00    -0.077 Cl
ENDBRANCH   7  12
BRANCH   1  26
ATOM     25  C   LIG    1       -5.974   1.132   1.818  0.00  0.00    +0.095 C 
ATOM     26  C   LIG    1       -6.083   0.490   0.447  0.00  0.00    +0.320 C 
ATOM     27  F   LIG    1       -7.392   0.130   0.272  0.00  0.00    -0.196 F 
ATOM     28  F   LIG    1       -5.855   1.445  -0.502  0.00  0.00    -0.196 F 
ENDBRANCH   1  26
TORSDOF 2