REMARK  Name = BDB059318
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.168  -0.250  -1.313  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        1.009   0.191  -2.322  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.903   1.137  -2.692  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        0.469  -1.208  -0.601  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.218   0.659   0.102  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1       -2.003   0.007  -0.137  0.00  0.00    +0.061 A 
ATOM      7  C   LIG    1       -1.108   0.482  -1.106  0.00  0.00    +0.077 A 
ATOM      8  C   LIG    1       -1.449   1.623  -1.830  0.00  0.00    +0.136 A 
ATOM      9  F   LIG    1       -0.625   2.123  -2.764  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -2.655   2.280  -1.601  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1       -3.542   1.799  -0.635  0.00  0.00    +0.048 A 
BRANCH   5  12
ATOM     12  O   LIG    1       -3.989   0.083   1.073  0.00  0.00    -0.488 OA
BRANCH  12  13
ATOM     13  C   LIG    1       -5.234   0.706   1.382  0.00  0.00    +0.256 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -5.526  -1.149   3.100  0.00  0.00    +0.007 C 
ATOM     15  C   LIG    1       -5.951  -0.044   2.472  0.00  0.00    +0.006 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  16
ATOM     16  N   LIG    1        2.452  -0.319  -2.237  0.00  0.00    -0.108 NA
ATOM     17  H   LIG    1        2.479  -1.259  -1.817  0.00  0.00    +0.172 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.530   0.744  -1.420  0.00  0.00    +0.074 S 
ATOM     19  O   LIG    1        4.534   1.162  -2.375  0.00  0.00    -0.152 OA
ATOM     20  O   LIG    1        2.740   1.715  -0.690  0.00  0.00    -0.152 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.287  -0.351  -0.248  0.00  0.00    +0.107 A 
ATOM     22  C   LIG    1        3.582  -0.710   0.904  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        4.174  -1.568   1.831  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        5.464  -2.054   1.607  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.167  -1.683   0.460  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        5.582  -0.827  -0.473  0.00  0.00    +0.028 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   2  16
TORSDOF 7