REMARK  Name = BDB058904
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.042   0.163  -0.891  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1        0.084  -0.334  -1.787  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   3
ATOM      3  N   LIG    1        1.329   0.622  -0.364  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        1.369   0.795   0.644  0.00  0.00    +0.171 HD
ATOM      5  C   LIG    1        2.427   0.098  -1.024  0.00  0.00    +0.262 C 
ATOM      6  O   LIG    1        2.315  -0.458  -2.116  0.00  0.00    -0.269 OA
BRANCH   5   7
ATOM      7  C   LIG    1        3.753   0.216  -0.362  0.00  0.00    +0.073 A 
ATOM      8  C   LIG    1        3.921   0.795   0.897  0.00  0.00    +0.136 A 
ATOM      9  F   LIG    1        2.872   1.276   1.581  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        5.183   0.886   1.483  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        6.299   0.393   0.808  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        6.148  -0.189  -0.450  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.881  -0.279  -1.034  0.00  0.00    +0.016 A 
ENDBRANCH   5   7
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  S   LIG    1       -0.873  -0.883   0.182  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1       -0.383  -0.614   1.520  0.00  0.00    -0.152 OA
ATOM     16  O   LIG    1       -0.827  -2.207  -0.396  0.00  0.00    -0.152 OA
BRANCH  14  20
ATOM     17  C   LIG    1       -5.785  -1.127  -1.694  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1       -4.778  -0.444  -0.816  0.00  0.00    -0.049 A 
ATOM     19  C   LIG    1       -3.464  -0.924  -0.739  0.00  0.00    +0.032 A 
ATOM     20  C   LIG    1       -2.526  -0.258   0.057  0.00  0.00    +0.107 A 
ATOM     21  C   LIG    1       -2.883   0.879   0.785  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1       -4.186   1.366   0.697  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -5.125   0.712  -0.104  0.00  0.00    +0.003 A 
ENDBRANCH  14  20
ENDBRANCH   1  14
TORSDOF 4