REMARK  Name = BDB032587
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.305  -1.717  -0.674  0.00  0.00    -0.201 N 
ATOM      2  H   LIG    1       -0.122  -2.324  -1.469  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.747  -0.986  -0.143  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1        0.673  -0.203   0.931  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1        1.929   0.350   1.087  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1        2.755  -0.090   0.095  0.00  0.00    +0.169 A 
ATOM      7  C   LIG    1        2.036  -0.938  -0.717  0.00  0.00    +0.097 A 
BRANCH   6   8
ATOM      8  C   LIG    1        4.126   0.409   0.113  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        4.573   1.280   1.119  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        5.889   1.754   1.127  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.777   1.363   0.130  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        6.352   0.499  -0.876  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.037   0.026  -0.884  0.00  0.00    +0.011 A 
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  15
ATOM     14  O   LIG    1       -2.149  -3.329  -0.586  0.00  0.00    -0.155 OA
ATOM     15  S   LIG    1       -1.677  -2.173   0.156  0.00  0.00    +0.047 S 
ATOM     16  O   LIG    1       -1.410  -2.285   1.571  0.00  0.00    -0.155 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -2.840  -0.826  -0.162  0.00  0.00    +0.151 C 
ATOM     18  C   LIG    1       -2.420   0.498   0.487  0.00  0.00    +0.028 C 
ATOM     19  C   LIG    1       -3.587   1.461   0.731  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1       -4.734   1.230  -0.240  0.00  0.00    +0.000 C 
ATOM     21  C   LIG    1       -5.295  -0.188  -0.121  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -4.248  -1.227   0.287  0.00  0.00    +0.028 C 
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 4