REMARK  Name = BDB058166
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.789  -0.826  -0.732  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -0.828  -0.697  -1.748  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1        0.515  -0.433  -1.447  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        0.927  -0.303  -0.118  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1       -0.017  -0.420   0.905  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -1.355  -0.687   0.600  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.343  -0.023   0.243  0.00  0.00    +0.141 A 
ATOM      8  N   LIG    1        3.310  -0.505  -0.611  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1        3.072  -1.074  -1.409  0.00  0.00    +0.170 HD
ATOM     10  C   LIG    1        4.656  -0.350  -0.398  0.00  0.00    +0.260 A 
ATOM     11  O   LIG    1        5.493  -0.824  -1.156  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1        5.026   0.412   0.803  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1        3.986   0.871   1.617  0.00  0.00    +0.079 A 
ATOM     14  C   LIG    1        4.306   1.595   2.768  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        5.641   1.852   3.093  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1        6.655   1.382   2.264  0.00  0.00    +0.124 A 
ATOM     17  F   LIG    1        7.931   1.631   2.582  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        6.364   0.660   1.115  0.00  0.00    +0.053 A 
ATOM     19  N   LIG    1        2.635   0.631   1.323  0.00  0.00    -0.229 NA
ENDBRANCH   4   7
BRANCH   1  21
ATOM     20  C   LIG    1       -3.528  -2.603  -0.659  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1       -3.266  -1.128  -1.023  0.00  0.00    +0.089 C 
ATOM     22  C   LIG    1       -3.698  -0.932  -2.489  0.00  0.00    +0.046 C 
BRANCH  21  23
ATOM     23  O   LIG    1       -4.129  -0.369  -0.147  0.00  0.00    -0.367 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -4.174   1.046  -0.379  0.00  0.00    +0.188 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.027   1.667   0.724  0.00  0.00    +0.184 C 
BRANCH  25  26
ATOM     26  O   LIG    1       -4.459   1.374   1.999  0.00  0.00    -0.393 OA
ATOM     27  H   LIG    1       -4.288   0.413   1.984  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 6