REMARK  Name = BDB029468
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.830   0.941  -1.401  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.720   0.611  -0.994  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.592   0.860  -1.733  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -3.765   1.426  -2.554  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -2.326   0.995  -1.215  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -1.520   1.745  -1.755  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -2.027   0.162   0.029  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -0.699   0.585   0.695  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1        0.268  -0.437   0.302  0.00  0.00    -0.309 N 
ATOM     10  C   LIG    1       -0.291  -1.347  -0.683  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -1.784  -1.304  -0.372  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -3.216   0.324   0.985  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1       -4.520  -0.101   0.321  0.00  0.00    +0.097 C 
ENDROOT
BRANCH   9  14
ATOM     14  C   LIG    1        1.615  -0.244   0.332  0.00  0.00    +0.164 A 
ATOM     15  S   LIG    1        2.373   0.961   1.321  0.00  0.00    -0.051 S 
ATOM     16  C   LIG    1        3.915   0.473   0.759  0.00  0.00    +0.060 A 
ATOM     17  C   LIG    1        3.753  -0.585  -0.134  0.00  0.00    +0.169 A 
ATOM     18  N   LIG    1        4.798  -1.196  -0.750  0.00  0.00    -0.235 NA
ATOM     19  C   LIG    1        6.014  -0.707  -0.442  0.00  0.00    +0.113 A 
ATOM     20  C   LIG    1        6.263   0.339   0.432  0.00  0.00    +0.021 A 
ATOM     21  C   LIG    1        5.190   0.962   1.063  0.00  0.00    +0.020 A 
ATOM     22  N   LIG    1        2.456  -0.982  -0.358  0.00  0.00    -0.205 NA
ENDBRANCH   9  14
TORSDOF 1