REMARK  Name = BDB028657
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.316  -0.731  -0.366  0.00  0.00    +0.135 A 
ATOM      2  C   LIG    1        0.554  -0.188   0.683  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.176   0.165   1.864  0.00  0.00    +0.173 A 
ATOM      4  O   LIG    1        0.252   0.660   2.729  0.00  0.00    -0.353 OA
ATOM      5  N   LIG    1       -0.999   0.634   2.133  0.00  0.00    -0.060 NA
ATOM      6  C   LIG    1        2.538   0.022   2.112  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        3.307  -0.529   1.073  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1       -0.805   0.152   0.902  0.00  0.00    +0.192 A 
ATOM      9  C   LIG    1        2.693  -0.904  -0.142  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        1.459  -1.232  -2.681  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1        0.653  -1.062  -1.518  0.00  0.00    -0.494 OA
ENDBRANCH   1  11
BRANCH   8  12
ATOM     12  N   LIG    1       -1.827  -0.074  -0.026  0.00  0.00    -0.196 N 
ATOM     13  H   LIG    1       -1.456  -0.491  -0.884  0.00  0.00    +0.175 HD
BRANCH  12  14
ATOM     14  S   LIG    1       -2.822   1.209  -0.481  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1       -2.841   2.279   0.487  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -2.471   1.468  -1.865  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -4.438   0.441  -0.476  0.00  0.00    +0.114 A 
ATOM     18  C   LIG    1       -5.034  -0.039   0.706  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -4.386   0.023   2.058  0.00  0.00    +0.049 C 
ATOM     20  C   LIG    1       -6.295  -0.640   0.594  0.00  0.00    +0.128 A 
ATOM     21  F   LIG    1       -6.899  -1.137   1.684  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -6.960  -0.748  -0.625  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1       -6.369  -0.254  -1.782  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -5.109   0.340  -1.709  0.00  0.00    +0.029 A 
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   8  12
BRANCH   7  25
ATOM     25  C   LIG    1        4.796  -0.726   1.259  0.00  0.00    +0.178 C 
BRANCH  25  26
ATOM     26  N   LIG    1        5.565   0.143   0.378  0.00  0.00    -0.267 N 
ATOM     27  N   LIG    1        6.029  -0.326  -0.801  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        6.684   0.716  -1.318  0.00  0.00    +0.134 A 
ATOM     29  C   LIG    1        6.647   1.844  -0.479  0.00  0.00    +0.041 A 
ATOM     30  C   LIG    1        5.920   1.442   0.616  0.00  0.00    +0.108 A 
ENDBRANCH  25  26
ENDBRANCH   7  25
TORSDOF 6