REMARK  Name = BDB029725
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -4.894  -2.902   0.301  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.328  -1.824   0.236  0.00  0.00    +0.220 C 
ATOM      3  N   LIG    1       -4.934  -0.632   0.015  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -5.937  -0.531  -0.020  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -4.086   0.422   0.117  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -4.424   1.592   0.156  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -2.678  -0.108   0.127  0.00  0.00    +0.073 C 
ATOM      8  C   LIG    1       -1.768   0.627   1.100  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1       -0.437   0.475   0.532  0.00  0.00    -0.296 N 
ATOM     10  C   LIG    1        0.667   0.948   1.219  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1        0.590   1.486   2.320  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -0.498   0.070  -0.866  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -1.980   0.129  -1.220  0.00  0.00    +0.037 C 
ATOM     14  C   LIG    1       -2.857  -1.598   0.445  0.00  0.00    +0.114 C 
ENDROOT
BRANCH  10  15
ATOM     15  C   LIG    1        2.002   0.820   0.595  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1        2.475  -0.429   0.174  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1        3.756  -0.520  -0.405  0.00  0.00    +0.079 A 
ATOM     18  C   LIG    1        4.531   0.638  -0.524  0.00  0.00    +0.039 A 
ATOM     19  S   LIG    1        6.037   0.230  -1.258  0.00  0.00    -0.075 S 
ATOM     20  C   LIG    1        5.540  -1.405  -1.349  0.00  0.00    +0.157 A 
ATOM     21  C   LIG    1        4.074   1.889  -0.079  0.00  0.00    +0.018 A 
ATOM     22  N   LIG    1        4.343  -1.680  -0.883  0.00  0.00    -0.247 NA
ATOM     23  C   LIG    1        2.798   1.961   0.489  0.00  0.00    +0.014 A 
ENDBRANCH  10  15
TORSDOF 1