REMARK  Name = BDB048414
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.576   1.041   0.445  0.00  0.00    -0.176 NA
ATOM      2  H   LIG    1        0.707   1.879  -0.124  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.857   0.849   0.802  0.00  0.00    +0.084 C 
ATOM      4  C   LIG    1       -1.203  -0.654   0.897  0.00  0.00    +0.008 C 
ATOM      5  C   LIG    1       -1.048  -1.340  -0.476  0.00  0.00    +0.008 C 
ATOM      6  C   LIG    1       -1.970  -0.675  -1.510  0.00  0.00    -0.010 C 
ATOM      7  C   LIG    1       -3.430  -0.800  -1.040  0.00  0.00    +0.007 C 
ATOM      8  C   LIG    1       -3.603  -0.112   0.324  0.00  0.00    -0.010 C 
ATOM      9  C   LIG    1       -3.228   1.375   0.189  0.00  0.00    +0.008 C 
ATOM     10  C   LIG    1       -1.604   0.812  -1.631  0.00  0.00    +0.008 C 
ATOM     11  C   LIG    1       -2.671  -0.784   1.349  0.00  0.00    +0.008 C 
ATOM     12  C   LIG    1       -1.762   1.512  -0.267  0.00  0.00    +0.008 C 
ENDBRANCH   1   3
BRANCH   1  13
ATOM     13  S   LIG    1        1.636   1.181   1.741  0.00  0.00    +0.095 S 
ATOM     14  O   LIG    1        1.780   2.595   1.978  0.00  0.00    -0.141 OA
ATOM     15  O   LIG    1        1.284   0.238   2.769  0.00  0.00    -0.141 OA
BRANCH  13  16
ATOM     16  N   LIG    1        3.019   0.670   0.968  0.00  0.00    -0.180 NA
ATOM     17  H   LIG    1        3.386   1.378   0.337  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1        3.071  -0.719   0.495  0.00  0.00    +0.106 C 
BRANCH  18  20
ATOM     19  C   LIG    1        5.160  -0.439  -0.929  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1        4.522  -1.137   0.263  0.00  0.00    +0.013 C 
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH   1  13
TORSDOF 5