REMARK  Name = BDB058878
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.113  -0.985   1.148  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.158   0.043   0.473  0.00  0.00    +0.262 C 
ATOM      3  N   LIG    1        1.357   0.679   0.206  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        1.434   1.329  -0.582  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.084   0.632  -0.093  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -1.082   1.786  -0.874  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1        0.071   2.413  -1.154  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1       -2.279   2.296  -1.374  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1       -2.282   3.725  -2.336  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -3.489   1.657  -1.101  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1       -3.524   0.491  -0.319  0.00  0.00    -0.016 A 
ATOM     12  C   LIG    1       -2.306  -0.009   0.177  0.00  0.00    +0.024 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -4.798  -0.188  -0.028  0.00  0.00    -0.018 A 
ATOM     14  C   LIG    1       -5.690  -0.530  -1.059  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -6.899  -1.174  -0.783  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -7.239  -1.487   0.530  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -6.370  -1.158   1.567  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -5.160  -0.515   1.290  0.00  0.00    +0.008 A 
ENDBRANCH  11  13
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  N   LIG    1        2.623  -0.150   0.484  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1        2.372  -0.994   1.025  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1        3.433  -0.659  -0.939  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1        3.218  -2.084  -1.061  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1        3.072   0.264  -1.997  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1        5.123  -0.370  -0.493  0.00  0.00    +0.107 A 
ATOM     25  C   LIG    1        5.647   0.922  -0.599  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        6.983   1.150  -0.268  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        7.787   0.091   0.157  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.262  -1.200   0.250  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        5.927  -1.436  -0.079  0.00  0.00    +0.028 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 5