REMARK  Name = BDB060993
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.042   0.939  -1.051  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1        3.514  -0.118  -0.253  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1        2.551   0.168   0.759  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1        2.010  -0.925   1.499  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        2.430  -2.244   1.276  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        3.390  -2.510   0.315  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        2.209   1.528   0.968  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        2.792   2.560   0.237  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        3.919  -1.462  -0.436  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        3.716   2.267  -0.752  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        5.047   0.721  -2.021  0.00  0.00    -0.357 N 
ATOM     12  H   LIG    1        4.954  -0.164  -2.506  0.00  0.00    +0.142 HD
ATOM     13  H   LIG    1        5.143   1.490  -2.678  0.00  0.00    +0.142 HD
ENDBRANCH   1  11
BRANCH   4  14
ATOM     14  S   LIG    1        0.756  -0.699   2.748  0.00  0.00    +0.059 S 
ATOM     15  O   LIG    1        0.294  -1.994   3.200  0.00  0.00    -0.153 OA
ATOM     16  O   LIG    1        1.221   0.297   3.687  0.00  0.00    -0.153 OA
BRANCH  14  17
ATOM     17  N   LIG    1       -0.509  -0.003   1.888  0.00  0.00    -0.190 NA
ATOM     18  H   LIG    1       -0.930   0.784   2.381  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.367  -0.866   1.072  0.00  0.00    +0.109 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.004  -0.044  -0.064  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -2.740  -0.964  -1.061  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -4.232  -1.060  -0.763  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -4.918   0.304  -0.854  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -3.993   1.472  -0.512  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -2.922   1.065   0.492  0.00  0.00    +0.005 C 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH   4  14
TORSDOF 5