REMARK  Name = BDB033386
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.988  -0.326   2.550  0.00  0.00    -0.213 N 
ATOM      2  H   LIG    1       -1.512  -0.505   3.406  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.276  -1.249   1.499  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -1.253  -0.864   0.156  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -1.516  -1.750  -0.895  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -1.415  -0.987  -2.101  0.00  0.00    +0.077 A 
ATOM      7  C   LIG    1       -1.099   0.311  -1.762  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1       -1.801  -3.110  -0.590  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -2.091  -4.147  -1.643  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -1.795  -3.498   0.765  0.00  0.00    +0.006 A 
ATOM     11  N   LIG    1       -1.007   0.373  -0.400  0.00  0.00    -0.358 N 
ATOM     12  H   LIG    1       -0.733   1.188   0.144  0.00  0.00    +0.165 HD
ATOM     13  C   LIG    1       -1.535  -2.588   1.788  0.00  0.00    +0.027 A 
BRANCH   6  14
ATOM     14  C   LIG    1       -1.591  -1.444  -3.445  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -1.731  -1.813  -4.537  0.00  0.00    -0.191 NA
ENDBRANCH   6  14
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  S   LIG    1        0.648  -0.169   2.991  0.00  0.00    +0.091 S 
ATOM     17  O   LIG    1        1.304  -1.456   2.900  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1        0.668   0.594   4.222  0.00  0.00    -0.148 OA
BRANCH  16  23
ATOM     19  C   LIG    1        1.827   2.398   0.386  0.00  0.00    +0.109 A 
ATOM     20  N   LIG    1        3.041   1.814   0.661  0.00  0.00    -0.347 N 
ATOM     21  H   LIG    1        3.929   2.076   0.252  0.00  0.00    +0.167 HD
ATOM     22  C   LIG    1        2.839   0.833   1.589  0.00  0.00    +0.133 A 
ATOM     23  C   LIG    1        1.484   0.853   1.849  0.00  0.00    +0.215 A 
ATOM     24  N   LIG    1        0.862   1.832   1.082  0.00  0.00    -0.213 NA
BRANCH  19  26
ATOM     25  C   LIG    1        1.779   4.869   0.112  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1        1.685   3.521  -0.584  0.00  0.00    +0.071 C 
ENDBRANCH  19  26
ENDBRANCH  16  23
ENDBRANCH   1  16
TORSDOF 5