REMARK  Name = BDB033439
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.344  -1.218   0.826  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        1.001  -0.065   0.381  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1        1.727  -0.022  -0.816  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1        2.237   1.310  -0.930  0.00  0.00    +0.077 A 
ATOM      5  C   LIG    1        1.829   2.021   0.177  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        1.804  -1.195  -1.615  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1        2.554  -1.256  -2.920  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        1.135  -2.351  -1.162  0.00  0.00    +0.006 A 
ATOM      9  N   LIG    1        1.097   1.179   0.967  0.00  0.00    -0.358 N 
ATOM     10  H   LIG    1        0.681   1.422   1.856  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1        0.417  -2.361   0.032  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1       -0.451  -1.200   2.015  0.00  0.00    -0.214 N 
ATOM     13  H   LIG    1       -0.375  -2.071   2.545  0.00  0.00    +0.174 HD
BRANCH  12  14
ATOM     14  S   LIG    1       -2.115  -0.914   1.790  0.00  0.00    +0.077 S 
ATOM     15  O   LIG    1       -2.711  -0.967   3.107  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -2.605  -1.738   0.710  0.00  0.00    -0.150 OA
BRANCH  14  19
ATOM     17  C   LIG    1       -2.451   0.512  -1.318  0.00  0.00    +0.071 C 
ATOM     18  C   LIG    1       -2.451   1.215  -0.014  0.00  0.00    +0.107 A 
ATOM     19  C   LIG    1       -2.339   0.696   1.292  0.00  0.00    +0.170 A 
ATOM     20  C   LIG    1       -2.429   1.785   2.116  0.00  0.00    +0.259 A 
ATOM     21  O   LIG    1       -2.564   2.901   1.361  0.00  0.00    -0.361 OA
ATOM     22  N   LIG    1       -2.571   2.551   0.022  0.00  0.00    -0.082 NA
ENDBRANCH  14  19
ENDBRANCH  12  14
ENDBRANCH   1  12
BRANCH   4  23
ATOM     23  C   LIG    1        3.033   1.855  -1.986  0.00  0.00    +0.101 C 
ATOM     24  N   LIG    1        3.683   2.292  -2.843  0.00  0.00    -0.191 NA
ENDBRANCH   4  23
TORSDOF 4