REMARK  Name = BDB058848
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.511  -0.857   0.847  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1        0.669  -1.753   1.337  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   5
ATOM      3  O   LIG    1        2.900  -1.903   1.642  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        2.977  -0.837   1.033  0.00  0.00    +0.262 C 
ATOM      5  N   LIG    1        1.846  -0.104   0.715  0.00  0.00    -0.228 N 
ATOM      6  H   LIG    1        1.879   0.591  -0.036  0.00  0.00    +0.171 HD
BRANCH   4   7
ATOM      7  C   LIG    1        4.293  -0.299   0.603  0.00  0.00    +0.073 A 
ATOM      8  C   LIG    1        4.425   0.881  -0.133  0.00  0.00    +0.136 A 
ATOM      9  F   LIG    1        3.346   1.592  -0.495  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        5.679   1.351  -0.518  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        6.825   0.639  -0.168  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        6.712  -0.541   0.566  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.452  -1.010   0.950  0.00  0.00    +0.016 A 
ENDBRANCH   4   7
ENDBRANCH   1   5
BRANCH   1  14
ATOM     14  S   LIG    1       -0.236  -1.198  -0.656  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1       -0.100  -2.620  -0.884  0.00  0.00    -0.152 OA
ATOM     16  O   LIG    1        0.241  -0.220  -1.613  0.00  0.00    -0.152 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -1.930  -0.837  -0.286  0.00  0.00    +0.107 A 
ATOM     18  C   LIG    1       -2.356   0.495  -0.278  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1       -3.697   0.802  -0.005  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1       -4.612  -0.247   0.253  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1       -5.954   0.065   0.526  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -6.388   1.392   0.544  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.488   2.422   0.289  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.163  -1.579   0.228  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1       -4.151   2.131   0.016  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -2.827  -1.877  -0.044  0.00  0.00    +0.029 A 
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 4