REMARK  Name = BDB033418
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.519  -1.845   0.489  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -2.335  -1.126  -0.101  0.00  0.00    -0.040 A 
ATOM      3  C   LIG    1       -1.715  -0.006   0.519  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -0.614   0.594  -0.109  0.00  0.00    +0.071 A 
ATOM      5  N   LIG    1       -0.189   1.620   0.709  0.00  0.00    -0.358 N 
ATOM      6  H   LIG    1        0.645   2.172   0.540  0.00  0.00    +0.165 HD
ATOM      7  C   LIG    1       -0.988   1.716   1.813  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1       -0.109   0.148  -1.337  0.00  0.00    +0.072 A 
ATOM      9  C   LIG    1       -0.706  -0.968  -1.920  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -1.943   0.727   1.726  0.00  0.00    +0.077 A 
ATOM     11  C   LIG    1       -1.797  -1.590  -1.319  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   8  12
ATOM     12  N   LIG    1        1.008   0.764  -1.974  0.00  0.00    -0.213 N 
ATOM     13  H   LIG    1        1.104   1.766  -1.817  0.00  0.00    +0.174 HD
BRANCH  12  14
ATOM     14  S   LIG    1        2.517   0.016  -1.774  0.00  0.00    +0.090 S 
ATOM     15  O   LIG    1        3.476   0.779  -2.543  0.00  0.00    -0.148 OA
ATOM     16  O   LIG    1        2.400  -1.421  -1.896  0.00  0.00    -0.148 OA
BRANCH  14  17
ATOM     17  C   LIG    1        3.037   0.289  -0.122  0.00  0.00    +0.204 A 
ATOM     18  N   LIG    1        2.695   1.464   0.566  0.00  0.00    -0.228 NA
ATOM     19  C   LIG    1        3.256   1.426   1.757  0.00  0.00    +0.158 A 
ATOM     20  S   LIG    1        4.163   0.020   2.136  0.00  0.00    -0.082 S 
ATOM     21  C   LIG    1        3.823  -0.605   0.577  0.00  0.00    +0.095 A 
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH  10  22
ATOM     22  C   LIG    1       -2.956   0.502   2.710  0.00  0.00    +0.101 C 
ATOM     23  N   LIG    1       -3.775   0.323   3.513  0.00  0.00    -0.191 NA
ENDBRANCH  10  22
TORSDOF 4