REMARK  Name = BDB028718
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.311  -0.131  -0.935  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.737   0.245  -0.054  0.00  0.00    +0.109 A 
ATOM      3  C   LIG    1        1.223  -0.962   0.410  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.274  -1.097   1.312  0.00  0.00    +0.058 A 
ATOM      5  C   LIG    1        2.853   0.096   1.777  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1        2.370   1.337   1.324  0.00  0.00    +0.171 A 
ATOM      7  F   LIG    1        2.928   2.446   1.835  0.00  0.00    -0.201 F 
ATOM      8  O   LIG    1        0.516  -1.978  -0.149  0.00  0.00    -0.353 OA
ATOM      9  C   LIG    1        1.317   1.448   0.394  0.00  0.00    +0.170 A 
ATOM     10  N   LIG    1       -0.453  -1.458  -0.989  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1       -1.091   0.780  -1.633  0.00  0.00    -0.196 N 
ATOM     12  H   LIG    1       -1.000   1.766  -1.396  0.00  0.00    +0.175 HD
BRANCH  11  13
ATOM     13  S   LIG    1       -2.518   0.399  -2.414  0.00  0.00    +0.081 S 
ATOM     14  O   LIG    1       -2.186  -0.529  -3.475  0.00  0.00    -0.150 OA
ATOM     15  O   LIG    1       -3.153   1.666  -2.726  0.00  0.00    -0.150 OA
BRANCH  13  17
ATOM     16  C   LIG    1       -3.660   0.239   0.077  0.00  0.00    +0.150 A 
ATOM     17  C   LIG    1       -3.517  -0.378  -1.175  0.00  0.00    +0.191 A 
ATOM     18  C   LIG    1       -4.178  -1.585  -1.419  0.00  0.00    +0.150 A 
ATOM     19  C   LIG    1       -4.957  -2.175  -0.414  0.00  0.00    +0.048 A 
ATOM     20  C   LIG    1       -5.053  -1.583   0.844  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -4.401  -0.377   1.091  0.00  0.00    +0.048 A 
BRANCH  16  23
ATOM     22  C   LIG    1       -3.977   2.495   0.448  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -3.031   1.426   0.357  0.00  0.00    -0.493 OA
ENDBRANCH  16  23
BRANCH  18  24
ATOM     24  O   LIG    1       -4.194  -2.165  -2.657  0.00  0.00    -0.493 OA
ATOM     25  C   LIG    1       -3.381  -3.340  -2.688  0.00  0.00    +0.277 C 
ENDBRANCH  18  24
ENDBRANCH  13  17
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   9  26
ATOM     26  O   LIG    1        0.784   2.614  -0.088  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1        1.621   3.766  -0.023  0.00  0.00    +0.277 C 
ENDBRANCH   9  26
BRANCH   5  28
ATOM     28  C   LIG    1        4.014   0.053   2.740  0.00  0.00    +0.181 C 
BRANCH  28  29
ATOM     29  N   LIG    1        5.261  -0.250   2.052  0.00  0.00    -0.267 N 
ATOM     30  N   LIG    1        5.915   0.716   1.376  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        6.990   0.091   0.890  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1        7.035  -1.265   1.261  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1        5.905  -1.457   2.020  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 8