REMARK  Name = BDB059320
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.226   0.142   1.022  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1       -0.895  -0.552   0.594  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.822  -1.126  -0.248  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.139   1.198   1.644  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.920  -0.071   0.273  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        2.657   0.417   0.616  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1        1.546  -0.435   0.654  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1        1.709  -1.796   0.366  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        2.971  -2.285   0.025  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        4.072  -1.426  -0.025  0.00  0.00    +0.046 A 
BRANCH   5  11
ATOM     11  O   LIG    1        4.912   0.870   0.267  0.00  0.00    -0.492 OA
BRANCH  11  13
ATOM     12  C   LIG    1        7.151   1.634  -0.012  0.00  0.00    +0.048 C 
ATOM     13  C   LIG    1        6.227   0.431  -0.072  0.00  0.00    +0.225 C 
ENDBRANCH  11  13
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  14
ATOM     14  N   LIG    1       -2.221   0.239   0.688  0.00  0.00    -0.108 NA
ATOM     15  H   LIG    1       -2.054   1.126   1.194  0.00  0.00    +0.172 HD
BRANCH  14  16
ATOM     16  S   LIG    1       -2.896   0.613  -0.842  0.00  0.00    +0.074 S 
ATOM     17  O   LIG    1       -2.396  -0.376  -1.778  0.00  0.00    -0.152 OA
ATOM     18  O   LIG    1       -2.710   2.031  -1.056  0.00  0.00    -0.152 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -4.613   0.295  -0.548  0.00  0.00    +0.107 A 
ATOM     20  C   LIG    1       -5.479   1.357  -0.270  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -6.834   1.099  -0.062  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -7.317  -0.209  -0.140  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -6.450  -1.264  -0.430  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -5.094  -1.015  -0.640  0.00  0.00    +0.028 A 
ENDBRANCH  16  19
ENDBRANCH  14  16
ENDBRANCH   2  14
TORSDOF 6