REMARK  Name = BDB029536
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.841   0.385  -1.787  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.915   0.526  -1.007  0.00  0.00    +0.220 C 
ATOM      3  N   LIG    1       -4.999   1.087   0.221  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -5.841   1.520   0.567  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -3.794   1.225   0.826  0.00  0.00    +0.226 C 
ATOM      6  O   LIG    1       -3.598   1.863   1.847  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -2.760   0.418   0.058  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1       -1.460   1.228  -0.107  0.00  0.00    +0.035 C 
ATOM      9  C   LIG    1       -0.233   0.326  -0.202  0.00  0.00    +0.109 C 
ATOM     10  N   LIG    1       -0.104  -0.546   0.968  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1        1.115  -0.952   1.512  0.00  0.00    +0.247 C 
ATOM     12  O   LIG    1        1.226  -1.475   2.617  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1       -1.316  -0.830   1.733  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -2.532  -0.911   0.816  0.00  0.00    +0.035 C 
ATOM     15  C   LIG    1       -3.483   0.167  -1.282  0.00  0.00    +0.112 C 
ENDROOT
BRANCH  11  16
ATOM     16  C   LIG    1        2.348  -0.758   0.719  0.00  0.00    +0.039 A 
ATOM     17  C   LIG    1        3.387  -0.004   1.277  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1        4.574   0.178   0.542  0.00  0.00    +0.079 A 
ATOM     19  C   LIG    1        4.688  -0.418  -0.719  0.00  0.00    +0.039 A 
ATOM     20  S   LIG    1        6.233  -0.034  -1.382  0.00  0.00    -0.075 S 
ATOM     21  C   LIG    1        6.604   0.866   0.025  0.00  0.00    +0.157 A 
ATOM     22  C   LIG    1        3.657  -1.196  -1.274  0.00  0.00    +0.018 A 
ATOM     23  N   LIG    1        5.675   0.912   0.951  0.00  0.00    -0.247 NA
ATOM     24  C   LIG    1        2.484  -1.362  -0.532  0.00  0.00    +0.014 A 
ENDBRANCH  11  16
TORSDOF 1