REMARK  Name = BDB033411
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.065  -0.843   0.840  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        1.891   0.236   0.497  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1        2.702   0.238  -0.640  0.00  0.00    +0.019 A 
ATOM      4  C   LIG    1        3.366   1.498  -0.676  0.00  0.00    +0.077 A 
ATOM      5  C   LIG    1        2.963   2.219   0.428  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        2.710  -0.909  -1.461  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        1.934  -2.016  -1.100  0.00  0.00    +0.003 A 
ATOM      8  N   LIG    1        2.082   1.444   1.134  0.00  0.00    -0.358 N 
ATOM      9  H   LIG    1        1.625   1.706   1.999  0.00  0.00    +0.165 HD
ATOM     10  C   LIG    1        1.138  -1.989   0.044  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        0.321  -0.769   2.059  0.00  0.00    -0.214 N 
ATOM     12  H   LIG    1        0.750  -1.322   2.804  0.00  0.00    +0.174 HD
BRANCH  11  13
ATOM     13  S   LIG    1       -1.335  -1.151   2.025  0.00  0.00    +0.080 S 
ATOM     14  O   LIG    1       -1.479  -2.508   1.547  0.00  0.00    -0.149 OA
ATOM     15  O   LIG    1       -1.853  -0.756   3.317  0.00  0.00    -0.149 OA
BRANCH  13  19
ATOM     16  C   LIG    1       -5.051   1.068  -1.423  0.00  0.00    +0.073 C 
ATOM     17  C   LIG    1       -3.825   0.813  -0.619  0.00  0.00    +0.077 A 
ATOM     18  S   LIG    1       -3.734  -0.572   0.394  0.00  0.00    -0.052 S 
ATOM     19  C   LIG    1       -2.153  -0.113   0.867  0.00  0.00    +0.165 A 
ATOM     20  C   LIG    1       -1.812   1.065   0.240  0.00  0.00    +0.147 A 
ATOM     21  N   LIG    1       -2.764   1.591  -0.613  0.00  0.00    -0.251 NA
ENDBRANCH  13  19
ENDBRANCH  11  13
ENDBRANCH   1  11
BRANCH   4  22
ATOM     22  C   LIG    1        4.294   1.956  -1.662  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1        5.050   2.324  -2.463  0.00  0.00    -0.191 NA
ENDBRANCH   4  22
TORSDOF 4