REMARK  Name = BDB059356
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.511   0.634   1.826  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.561   0.487   0.606  0.00  0.00    +0.262 C 
ATOM      3  N   LIG    1       -0.560   0.651  -0.187  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -0.595   0.237  -1.123  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.836   0.112  -0.063  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1        1.922  -0.124  -1.437  0.00  0.00    +0.136 A 
ATOM      7  F   LIG    1        0.840  -0.026  -2.223  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1        3.132  -0.475  -2.032  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1        4.283  -0.596  -1.252  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1        4.218  -0.364   0.130  0.00  0.00    +0.087 A 
ATOM     11  C   LIG    1        2.994  -0.011   0.723  0.00  0.00    +0.045 A 
BRANCH  10  12
ATOM     12  N   LIG    1        5.387  -0.486   0.926  0.00  0.00    -0.150 N 
ATOM     13  N   LIG    1        5.376  -0.268   2.269  0.00  0.00    -0.156 NA
ATOM     14  C   LIG    1        6.648  -0.489   2.603  0.00  0.00    +0.156 A 
ATOM     15  C   LIG    1        7.386  -0.827   1.467  0.00  0.00    +0.156 A 
ATOM     16  N   LIG    1        6.594  -0.826   0.393  0.00  0.00    -0.156 NA
ENDBRANCH  10  12
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1       -1.904   0.674   0.562  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1       -1.729   0.739   1.579  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1       -2.871  -0.712   0.277  0.00  0.00    +0.074 S 
ATOM     20  O   LIG    1       -2.478  -1.260  -1.006  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1       -2.845  -1.504   1.486  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -4.475   0.020   0.105  0.00  0.00    +0.107 A 
ATOM     23  C   LIG    1       -4.837   0.596  -1.117  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1       -6.107   1.155  -1.262  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -7.007   1.130  -0.195  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.644   0.544   1.019  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -5.376  -0.018   1.173  0.00  0.00    +0.028 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5