REMARK  Name = BDB058913
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.384  -1.561  -1.541  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1       -0.538  -1.856  -0.567  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   3
ATOM      3  N   LIG    1        1.103  -1.296  -1.796  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        1.333  -0.966  -2.734  0.00  0.00    +0.171 HD
ATOM      5  C   LIG    1        1.812  -0.815  -0.707  0.00  0.00    +0.262 C 
ATOM      6  O   LIG    1        1.363  -0.890   0.437  0.00  0.00    -0.269 OA
BRANCH   5   7
ATOM      7  C   LIG    1        3.135  -0.188  -0.964  0.00  0.00    +0.073 A 
ATOM      8  C   LIG    1        3.648  -0.007  -2.250  0.00  0.00    +0.136 A 
ATOM      9  F   LIG    1        2.955  -0.396  -3.331  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        4.894   0.587  -2.449  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        5.643   1.012  -1.353  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        5.144   0.841  -0.062  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        3.895   0.244   0.133  0.00  0.00    +0.016 A 
ENDBRANCH   5   7
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  S   LIG    1       -1.418  -0.248  -1.949  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1       -2.283  -0.693  -3.021  0.00  0.00    -0.152 OA
ATOM     16  O   LIG    1       -0.603   0.942  -2.089  0.00  0.00    -0.152 OA
BRANCH  14  21
ATOM     17  C   LIG    1       -4.704   0.304   3.121  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1       -3.902   0.192   1.857  0.00  0.00    -0.050 A 
ATOM     19  C   LIG    1       -2.587   0.674   1.808  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -1.829   0.545   0.643  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1       -2.385  -0.088  -0.472  0.00  0.00    +0.107 A 
ATOM     22  C   LIG    1       -3.692  -0.578  -0.437  0.00  0.00    +0.029 A 
ATOM     23  C   LIG    1       -4.444  -0.443   0.731  0.00  0.00    +0.005 A 
ENDBRANCH  14  21
ENDBRANCH   1  14
TORSDOF 4