REMARK  Name = BDB059269
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.456   1.051   0.810  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.021   2.159   0.210  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.715   2.568  -0.669  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.922   0.558   1.835  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -2.454   0.185  -3.224  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -2.163   0.031  -1.759  0.00  0.00    -0.048 A 
ATOM      7  C   LIG    1       -3.066  -0.648  -0.929  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1       -2.811  -0.795   0.444  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -1.650  -0.235   0.990  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -0.758   0.476   0.172  0.00  0.00    +0.040 A 
ATOM     11  C   LIG    1       -1.013   0.602  -1.200  0.00  0.00    +0.016 A 
BRANCH   8  12
ATOM     12  N   LIG    1       -3.739  -1.509   1.255  0.00  0.00    -0.240 N 
ATOM     13  N   LIG    1       -4.871  -2.037   0.719  0.00  0.00    -0.175 NA
ATOM     14  C   LIG    1       -5.493  -2.622   1.743  0.00  0.00    +0.135 A 
ATOM     15  C   LIG    1       -4.790  -2.486   2.946  0.00  0.00    +0.041 A 
ATOM     16  C   LIG    1       -3.667  -1.768   2.609  0.00  0.00    +0.114 A 
ENDBRANCH   8  12
ENDBRANCH   1  10
BRANCH   2  17
ATOM     17  N   LIG    1        2.317   2.667   0.778  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        2.474   2.418   1.764  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        3.721   2.447  -0.160  0.00  0.00    +0.076 S 
ATOM     20  O   LIG    1        3.458   2.956  -1.489  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        4.828   2.944   0.630  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.875   0.694  -0.246  0.00  0.00    +0.145 A 
ATOM     23  C   LIG    1        3.125  -0.017  -1.174  0.00  0.00    +0.185 A 
ATOM     24  F   LIG    1        2.238   0.592  -1.974  0.00  0.00    -0.200 F 
ATOM     25  C   LIG    1        3.267  -1.397  -1.255  0.00  0.00    +0.160 A 
ATOM     26  F   LIG    1        2.533  -2.093  -2.135  0.00  0.00    -0.202 F 
ATOM     27  C   LIG    1        4.160  -2.075  -0.429  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1        4.923  -1.360   0.494  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        4.786   0.028   0.585  0.00  0.00    +0.032 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   2  17
TORSDOF 5