REMARK  Name = BDB015432
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -1.076   2.457   0.513  0.00  0.00    +0.077 S 
ATOM      2  O   LIG    1       -1.708   3.645  -0.031  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -0.329   2.548   1.750  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -2.364   1.250   0.760  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1       -3.586   1.389   0.094  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1       -4.610   0.462   0.306  0.00  0.00    +0.132 A 
ATOM      7  C   LIG    1       -4.404  -0.592   1.200  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -3.189  -0.712   1.884  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1       -2.169   0.213   1.673  0.00  0.00    +0.029 A 
BRANCH   6  10
ATOM     10  O   LIG    1       -5.744   0.703  -0.416  0.00  0.00    -0.406 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -6.838  -0.183  -0.249  0.00  0.00    +0.575 C 
ATOM     12  F   LIG    1       -6.505  -1.439  -0.616  0.00  0.00    -0.133 F 
ATOM     13  F   LIG    1       -7.854   0.229  -1.039  0.00  0.00    -0.133 F 
ATOM     14  F   LIG    1       -7.273  -0.186   1.029  0.00  0.00    -0.133 F 
ENDBRANCH  10  11
ENDBRANCH   6  10
ENDBRANCH   1   4
BRANCH   1  16
ATOM     15  C   LIG    1        0.575   0.564  -0.652  0.00  0.00    +0.201 C 
ATOM     16  N   LIG    1       -0.142   1.772  -0.711  0.00  0.00    -0.172 N 
ATOM     17  C   LIG    1       -0.657   1.939  -2.078  0.00  0.00    +0.158 C 
ATOM     18  C   LIG    1        0.113   0.848  -2.815  0.00  0.00    +0.166 C 
ATOM     19  N   LIG    1        0.710  -0.040  -1.790  0.00  0.00    -0.253 NA
BRANCH  15  23
ATOM     20  N   LIG    1        3.754  -0.944   0.864  0.00  0.00    -0.300 NA
ATOM     21  C   LIG    1        2.692  -1.722   0.198  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1        1.290  -1.325   0.710  0.00  0.00    +0.123 C 
ATOM     23  N   LIG    1        1.035   0.124   0.556  0.00  0.00    -0.300 N 
ATOM     24  C   LIG    1        2.107   0.916   1.207  0.00  0.00    +0.123 C 
ATOM     25  C   LIG    1        3.504   0.500   0.688  0.00  0.00    +0.103 C 
BRANCH  20  27
ATOM     26  C   LIG    1        5.492  -1.162  -0.994  0.00  0.00    +0.020 C 
ATOM     27  C   LIG    1        5.106  -1.351   0.470  0.00  0.00    +0.081 C 
ENDBRANCH  20  27
ENDBRANCH  15  23
ENDBRANCH   1  16
TORSDOF 6