REMARK  Name = BDB059925
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.332  -0.542   0.108  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        0.450  -1.675   0.223  0.00  0.00    +0.099 A 
ATOM      3  N   LIG    1       -0.897  -1.375   0.420  0.00  0.00    -0.269 N 
ATOM      4  C   LIG    1       -1.575  -2.557   0.535  0.00  0.00    +0.209 A 
ATOM      5  N   LIG    1       -0.778  -3.591   0.436  0.00  0.00    -0.217 NA
ATOM      6  C   LIG    1       -1.416  -0.065   0.470  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.603   0.940   0.317  0.00  0.00    -0.224 NA
ATOM      8  C   LIG    1        0.481  -3.068   0.177  0.00  0.00    +0.202 A 
ATOM      9  C   LIG    1        0.732   0.672   0.146  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        6.884   2.809  -0.258  0.00  0.00    +0.109 C 
ATOM     11  C   LIG    1        6.475   1.593  -1.049  0.00  0.00    +0.212 C 
ATOM     12  N   LIG    1        5.251   1.015  -0.741  0.00  0.00    -0.302 N 
ATOM     13  C   LIG    1        4.798  -0.106  -1.564  0.00  0.00    +0.108 C 
ATOM     14  C   LIG    1        3.291  -0.305  -1.482  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        2.858  -0.583  -0.032  0.00  0.00    +0.026 C 
ATOM     16  C   LIG    1        3.623   0.300   0.986  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1        4.370   1.463   0.337  0.00  0.00    +0.108 C 
ATOM     18  O   LIG    1        7.217   1.147  -1.926  0.00  0.00    -0.276 OA
ENDBRANCH   1  15
BRANCH   8  19
ATOM     19  S   LIG    1        1.818  -4.158  -0.099  0.00  0.00    +0.013 S 
ATOM     20  O   LIG    1        2.687  -3.494  -1.048  0.00  0.00    -0.168 OA
ATOM     21  O   LIG    1        1.225  -5.447  -0.395  0.00  0.00    -0.168 OA
ATOM     22  C   LIG    1        2.605  -4.249   1.486  0.00  0.00    +0.202 C 
ENDBRANCH   8  19
BRANCH   6  23
ATOM     23  N   LIG    1       -2.768   0.119   0.670  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.275  -0.607   1.163  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.314   1.445   0.909  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.812   1.387   0.843  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -5.496   1.195  -0.354  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -4.977   0.969  -1.725  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -6.275   1.148  -2.513  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -7.398   0.904  -1.635  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -6.883   1.115  -0.383  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -7.650   1.217   0.759  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -6.988   1.417   1.970  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -5.589   1.499   2.003  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -4.988   1.672   3.189  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 5