REMARK  Name = BDB058167
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.338   0.479   1.042  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -0.415  -0.258   1.800  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        0.930  -0.334   1.421  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        1.387   0.337   0.282  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1        0.481   1.070  -0.489  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -0.862   1.142  -0.107  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.825   0.230  -0.083  0.00  0.00    +0.141 A 
ATOM      8  N   LIG    1        3.377   1.296  -0.757  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1        2.847   2.135  -0.941  0.00  0.00    +0.170 HD
ATOM     10  C   LIG    1        4.693   1.355  -1.136  0.00  0.00    +0.260 A 
ATOM     11  O   LIG    1        5.166   2.333  -1.703  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1        5.502   0.172  -0.810  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1        4.867  -0.870  -0.127  0.00  0.00    +0.079 A 
ATOM     14  C   LIG    1        5.611  -2.007   0.200  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        6.961  -2.094  -0.150  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1        7.566  -1.040  -0.829  0.00  0.00    +0.124 A 
ATOM     17  F   LIG    1        8.860  -1.129  -1.162  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        6.851   0.100  -1.166  0.00  0.00    +0.053 A 
ATOM     19  N   LIG    1        3.514  -0.818   0.242  0.00  0.00    -0.229 NA
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1       -2.820   0.596   1.424  0.00  0.00    +0.089 C 
ATOM     21  C   LIG    1       -3.057   2.015   1.979  0.00  0.00    +0.046 C 
ATOM     22  C   LIG    1       -3.304  -0.403   2.493  0.00  0.00    +0.046 C 
BRANCH  20  23
ATOM     23  O   LIG    1       -3.643   0.512   0.243  0.00  0.00    -0.367 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -3.756  -0.784  -0.357  0.00  0.00    +0.189 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.471  -0.651  -1.702  0.00  0.00    +0.187 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -6.566  -0.233  -2.702  0.00  0.00    +0.194 C 
ATOM     27  O   LIG    1       -5.870  -0.442  -1.482  0.00  0.00    -0.381 OA
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 6