REMARK  Name = BDB059241
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.070  -0.746  -0.412  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        1.006   0.112  -0.552  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.924   1.091  -0.263  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.079  -1.967  -0.392  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -3.127   3.251  -0.063  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -2.925   1.766  -0.123  0.00  0.00    -0.013 A 
ATOM      7  C   LIG    1       -1.638   1.234  -0.246  0.00  0.00    +0.139 A 
ATOM      8  F   LIG    1       -0.601   2.082  -0.331  0.00  0.00    -0.204 F 
ATOM      9  C   LIG    1       -1.425  -0.147  -0.275  0.00  0.00    +0.075 A 
ATOM     10  C   LIG    1       -2.525  -1.015  -0.165  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -3.822  -0.501  -0.027  0.00  0.00    +0.066 A 
ATOM     12  C   LIG    1       -4.013   0.891  -0.003  0.00  0.00    +0.034 A 
BRANCH  11  13
ATOM     13  N   LIG    1       -4.949  -1.365   0.091  0.00  0.00    -0.240 N 
ATOM     14  N   LIG    1       -6.203  -0.855   0.218  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1       -6.998  -1.922   0.303  0.00  0.00    +0.135 A 
ATOM     16  C   LIG    1       -6.287  -3.127   0.234  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1       -4.974  -2.744   0.097  0.00  0.00    +0.114 A 
ENDBRANCH  11  13
ENDBRANCH   1   9
BRANCH   2  18
ATOM     18  N   LIG    1        2.390  -0.518  -0.319  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1        2.300  -1.547  -0.285  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.139  -0.007   1.135  0.00  0.00    +0.074 S 
ATOM     21  O   LIG    1        3.090  -1.126   2.051  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        2.586   1.288   1.478  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1        4.811   0.222   0.597  0.00  0.00    +0.107 A 
ATOM     24  C   LIG    1        5.158   1.397  -0.076  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        6.477   1.590  -0.484  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        7.442   0.618  -0.213  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.093  -0.548   0.471  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.775  -0.750   0.882  0.00  0.00    +0.028 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 5