REMARK  Name = BDB018359
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.752  -4.740  -0.304  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1        3.249  -3.376  -0.247  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1        4.078  -2.331  -0.629  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1        5.238  -2.454  -1.012  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        3.487  -0.976  -0.543  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1        2.215  -0.777  -0.149  0.00  0.00    -0.001 A 
ATOM      7  C   LIG    1        1.371  -1.947   0.177  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        1.932  -3.172   0.125  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        1.713   0.561  -0.027  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1        1.577   1.478  -1.044  0.00  0.00    +0.122 A 
ATOM     11  N   LIG    1        1.010   2.592  -0.477  0.00  0.00    -0.211 N 
ATOM     12  N   LIG    1        0.832   2.470   0.864  0.00  0.00    -0.174 NA
ATOM     13  C   LIG    1        1.239   1.224   1.124  0.00  0.00    +0.143 A 
BRANCH  11  14
ATOM     14  C   LIG    1        0.621   3.809  -1.178  0.00  0.00    +0.464 C 
ATOM     15  F   LIG    1        1.713   4.551  -1.511  0.00  0.00    -0.183 F 
ATOM     16  F   LIG    1       -0.018   3.525  -2.347  0.00  0.00    -0.183 F 
ENDBRANCH  11  14
ENDBRANCH   6   9
BRANCH   7  17
ATOM     17  C   LIG    1       -0.013  -1.808   0.517  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1       -0.983  -1.208  -0.254  0.00  0.00    +0.117 A 
ATOM     19  N   LIG    1       -2.128  -1.231   0.494  0.00  0.00    -0.267 N 
ATOM     20  N   LIG    1       -1.984  -1.896   1.662  0.00  0.00    -0.179 NA
ATOM     21  C   LIG    1       -0.691  -2.232   1.678  0.00  0.00    +0.143 A 
BRANCH  19  22
ATOM     22  C   LIG    1       -3.418  -0.655   0.131  0.00  0.00    +0.178 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.330   0.833  -0.111  0.00  0.00    -0.026 A 
ATOM     24  C   LIG    1       -3.632   1.371  -1.371  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -3.560   2.749  -1.589  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.190   3.603  -0.551  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -2.885   3.081   0.704  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.957   1.704   0.924  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   7  17
TORSDOF 5