REMARK  Name = BDB015435
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.550   0.106   2.337  0.00  0.00    +0.077 S 
ATOM      2  O   LIG    1       -1.053  -0.057   3.688  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.535   1.028   2.076  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -1.923   0.627   1.323  0.00  0.00    +0.109 A 
ATOM      5  C   LIG    1       -3.228   0.553   1.816  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -4.298   0.979   1.020  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1       -4.064   1.489  -0.260  0.00  0.00    +0.130 A 
ATOM      8  C   LIG    1       -2.748   1.578  -0.731  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -1.676   1.157   0.057  0.00  0.00    +0.032 A 
BRANCH   7  10
ATOM     10  O   LIG    1       -5.007   1.937  -1.140  0.00  0.00    -0.406 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -6.367   1.864  -0.749  0.00  0.00    +0.575 C 
ATOM     12  F   LIG    1       -7.134   2.334  -1.756  0.00  0.00    -0.133 F 
ATOM     13  F   LIG    1       -6.599   2.621   0.345  0.00  0.00    -0.133 F 
ATOM     14  F   LIG    1       -6.734   0.589  -0.500  0.00  0.00    -0.133 F 
ENDBRANCH  10  11
ENDBRANCH   7  10
ENDBRANCH   1   4
BRANCH   1  16
ATOM     15  C   LIG    1        0.261  -1.676   0.421  0.00  0.00    +0.201 C 
ATOM     16  N   LIG    1       -0.205  -1.437   1.729  0.00  0.00    -0.172 N 
ATOM     17  C   LIG    1       -1.185  -2.487   2.057  0.00  0.00    +0.158 C 
ATOM     18  C   LIG    1       -1.472  -3.059   0.673  0.00  0.00    +0.166 C 
ATOM     19  N   LIG    1       -0.394  -2.585  -0.227  0.00  0.00    -0.253 NA
BRANCH  15  23
ATOM     20  N   LIG    1        4.012  -0.149  -1.131  0.00  0.00    -0.300 NA
ATOM     21  C   LIG    1        3.079  -1.051  -1.840  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1        1.588  -0.879  -1.482  0.00  0.00    +0.123 C 
ATOM     23  N   LIG    1        1.337  -0.971  -0.030  0.00  0.00    -0.300 N 
ATOM     24  C   LIG    1        2.554  -0.885   0.801  0.00  0.00    +0.123 C 
ATOM     25  C   LIG    1        3.511   0.177   0.226  0.00  0.00    +0.103 C 
BRANCH  20  27
ATOM     26  C   LIG    1        5.417   1.904  -1.301  0.00  0.00    +0.020 C 
ATOM     27  C   LIG    1        4.305   1.058  -1.914  0.00  0.00    +0.081 C 
ENDBRANCH  20  27
ENDBRANCH  15  23
ENDBRANCH   1  16
TORSDOF 6