REMARK  Name = BDB029528
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.109  -0.424   0.762  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        5.014  -0.372   0.228  0.00  0.00    +0.220 C 
ATOM      3  N   LIG    1        4.688  -0.948  -0.955  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1        5.386  -1.354  -1.557  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1        3.476  -0.537  -1.405  0.00  0.00    +0.226 C 
ATOM      6  O   LIG    1        3.088  -0.622  -2.558  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1        2.696   0.026  -0.233  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1        1.867   1.245  -0.660  0.00  0.00    +0.035 C 
ATOM      9  C   LIG    1        0.473   0.844  -1.145  0.00  0.00    +0.108 C 
ATOM     10  N   LIG    1       -0.245   0.140  -0.087  0.00  0.00    -0.309 N 
ATOM     11  C   LIG    1        0.518  -0.569   0.938  0.00  0.00    +0.108 C 
ATOM     12  C   LIG    1        1.821  -1.104   0.349  0.00  0.00    +0.035 C 
ATOM     13  C   LIG    1        3.836   0.418   0.725  0.00  0.00    +0.112 C 
ENDROOT
BRANCH  10  14
ATOM     14  C   LIG    1       -1.610   0.115  -0.009  0.00  0.00    +0.164 A 
ATOM     15  S   LIG    1       -2.653   0.711  -1.262  0.00  0.00    -0.051 S 
ATOM     16  C   LIG    1       -4.033   0.280  -0.348  0.00  0.00    +0.060 A 
ATOM     17  C   LIG    1       -3.616  -0.292   0.850  0.00  0.00    +0.169 A 
ATOM     18  N   LIG    1       -4.482  -0.740   1.795  0.00  0.00    -0.235 NA
ATOM     19  C   LIG    1       -5.787  -0.594   1.496  0.00  0.00    +0.113 A 
ATOM     20  C   LIG    1       -6.287  -0.038   0.329  0.00  0.00    +0.021 A 
ATOM     21  C   LIG    1       -5.396   0.420  -0.636  0.00  0.00    +0.020 A 
ATOM     22  N   LIG    1       -2.255  -0.380   1.025  0.00  0.00    -0.205 NA
ENDBRANCH  10  14
TORSDOF 1