REMARK  Name = BDB033481
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.187  -2.776  -1.143  0.00  0.00    -0.212 N 
ATOM      2  H   LIG    1       -0.136  -3.727  -1.333  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1       -3.876   0.627   1.161  0.00  0.00    +0.044 C 
ATOM      4  C   LIG    1       -2.822  -0.230   0.511  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -1.948   0.246  -0.504  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -0.999  -0.630  -1.042  0.00  0.00    +0.071 A 
ATOM      7  N   LIG    1       -0.308   0.056  -2.018  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1        0.423  -0.353  -2.588  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -0.746   1.348  -2.090  0.00  0.00    +0.102 A 
ATOM     10  C   LIG    1       -0.862  -1.955  -0.615  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -1.719  -2.414   0.382  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -1.763   1.498  -1.172  0.00  0.00    +0.077 A 
ATOM     13  C   LIG    1       -2.681  -1.570   0.932  0.00  0.00    +0.006 A 
BRANCH  12  14
ATOM     14  C   LIG    1       -2.479   2.717  -0.957  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -3.057   3.708  -0.779  0.00  0.00    -0.191 NA
ENDBRANCH  12  14
ENDBRANCH   1  10
BRANCH   1  16
ATOM     16  S   LIG    1        1.549  -2.954  -0.107  0.00  0.00    +0.096 S 
ATOM     17  O   LIG    1        2.582  -3.577  -0.911  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1        1.088  -3.593   1.109  0.00  0.00    -0.148 OA
BRANCH  16  19
ATOM     19  C   LIG    1        2.153  -1.337   0.346  0.00  0.00    +0.236 A 
ATOM     20  S   LIG    1        3.004  -0.452  -0.843  0.00  0.00    -0.042 S 
ATOM     21  C   LIG    1        3.104   0.886   0.234  0.00  0.00    +0.095 A 
ATOM     22  C   LIG    1        2.491   0.551   1.426  0.00  0.00    +0.133 A 
ATOM     23  N   LIG    1        1.946  -0.717   1.493  0.00  0.00    -0.228 NA
BRANCH  21  24
ATOM     24  C   LIG    1        3.745   2.109  -0.193  0.00  0.00    +0.250 C 
ATOM     25  O   LIG    1        4.096   2.356  -1.344  0.00  0.00    -0.270 OA
ATOM     26  N   LIG    1        3.973   3.048   0.776  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1        3.875   2.872   1.764  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1        4.493   3.868   0.490  0.00  0.00    +0.145 HD
ENDBRANCH  21  24
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5