REMARK  Name = BDB059240
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.289  -1.915   2.496  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.597  -1.562   1.542  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        1.139  -0.887   0.463  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        0.569  -0.386  -0.216  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.859  -1.869   1.501  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -1.770  -1.127   0.735  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -3.143  -1.448   0.710  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.572  -2.541   1.484  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -2.674  -3.274   2.266  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.323  -2.935   2.278  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -4.077  -0.653  -0.116  0.00  0.00    +0.071 A 
ATOM     12  N   LIG    1       -3.546  -0.125  -1.250  0.00  0.00    -0.255 NA
ATOM     13  C   LIG    1       -4.353   0.614  -2.044  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -5.684   0.865  -1.768  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -6.220   0.329  -0.605  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -5.411  -0.437   0.232  0.00  0.00    +0.028 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1        2.550  -0.315   0.674  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        2.921  -0.644   1.581  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        2.603   1.397   0.662  0.00  0.00    +0.074 S 
ATOM     20  O   LIG    1        1.474   1.859  -0.122  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        2.813   1.827   2.026  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        4.084   1.686  -0.266  0.00  0.00    +0.107 A 
ATOM     23  C   LIG    1        4.041   1.620  -1.662  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        5.200   1.867  -2.396  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        6.389   2.186  -1.738  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.424   2.262  -0.344  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.269   2.016   0.398  0.00  0.00    +0.028 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5