REMARK  Name = BDB058859
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.724  -0.284  -0.697  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1        0.750  -1.146  -1.266  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   5
ATOM      3  O   LIG    1       -1.399  -1.715  -1.632  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -1.694  -0.749  -0.931  0.00  0.00    +0.262 C 
ATOM      5  N   LIG    1       -0.738   0.165  -0.523  0.00  0.00    -0.228 N 
ATOM      6  H   LIG    1       -0.914   0.765   0.287  0.00  0.00    +0.171 HD
BRANCH   4   7
ATOM      7  C   LIG    1       -3.094  -0.533  -0.481  0.00  0.00    +0.073 A 
ATOM      8  C   LIG    1       -3.465   0.520   0.357  0.00  0.00    +0.136 A 
ATOM      9  F   LIG    1       -2.556   1.398   0.806  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -4.790   0.687   0.757  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -5.766  -0.206   0.318  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -5.412  -1.265  -0.519  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.082  -1.429  -0.917  0.00  0.00    +0.016 A 
ENDBRANCH   4   7
ENDBRANCH   1   5
BRANCH   1  14
ATOM     14  S   LIG    1        1.526  -0.598   0.782  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1        1.703  -2.029   0.878  0.00  0.00    -0.152 OA
ATOM     16  O   LIG    1        0.855   0.164   1.816  0.00  0.00    -0.152 OA
BRANCH  14  17
ATOM     17  C   LIG    1        3.102   0.150   0.478  0.00  0.00    +0.110 A 
ATOM     18  C   LIG    1        4.184  -0.646   0.100  0.00  0.00    +0.067 A 
ATOM     19  C   LIG    1        5.416  -0.041  -0.112  0.00  0.00    +0.125 A 
ATOM     20  F   LIG    1        6.463  -0.791  -0.480  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        5.584   1.332   0.053  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        4.501   2.121   0.442  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        3.255   1.530   0.659  0.00  0.00    +0.029 A 
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 4