REMARK  Name = BDB064555
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.114  -1.122  -0.225  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1       -3.312  -0.057   0.233  0.00  0.00    +0.171 A 
ATOM      3  C   LIG    1       -1.897  -0.137   0.155  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -1.296  -1.259  -0.431  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1        0.096  -1.321  -0.510  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        0.888  -0.280  -0.011  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1        2.351  -0.330  -0.103  0.00  0.00    +0.016 A 
ATOM      8  C   LIG    1        3.080   0.531  -0.971  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        4.476   0.435  -1.075  0.00  0.00    +0.065 A 
ATOM     10  C   LIG    1        5.118  -0.510  -0.306  0.00  0.00    +0.167 A 
ATOM     11  O   LIG    1        6.457  -0.735  -0.276  0.00  0.00    -0.453 OA
ATOM     12  C   LIG    1        6.535  -1.826   0.668  0.00  0.00    +0.466 C 
ATOM     13  O   LIG    1        5.245  -2.199   1.204  0.00  0.00    -0.453 OA
ATOM     14  C   LIG    1        4.428  -1.343   0.537  0.00  0.00    +0.167 A 
ATOM     15  S   LIG    1        2.254   1.778  -1.957  0.00  0.00    -0.124 S 
ATOM     16  C   LIG    1        2.292   3.149  -0.760  0.00  0.00    +0.076 C 
ATOM     17  C   LIG    1        1.116   3.132   0.216  0.00  0.00    +0.032 C 
ATOM     18  C   LIG    1        1.068   1.933   1.162  0.00  0.00    +0.122 C 
ATOM     19  C   LIG    1        3.056  -1.283   0.660  0.00  0.00    +0.060 A 
ATOM     20  N   LIG    1        0.296   0.805   0.562  0.00  0.00    -0.346 N 
ATOM     21  C   LIG    1       -2.101  -2.293  -0.922  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -1.059   0.873   0.641  0.00  0.00    +0.098 A 
ATOM     23  C   LIG    1       -3.493  -2.226  -0.814  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1  25
ATOM     24  C   LIG    1       -6.284  -2.119  -0.434  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -5.465  -1.025  -0.038  0.00  0.00    -0.491 OA
ENDBRANCH   1  25
BRANCH   2  26
ATOM     26  O   LIG    1       -3.784   1.091   0.832  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -5.011   1.617   0.326  0.00  0.00    +0.277 C 
ENDBRANCH   2  26
TORSDOF 2