REMARK  Name = BDB058865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.242  -0.782   0.010  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1       -0.186  -1.718  -0.426  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   3
ATOM      3  N   LIG    1        1.161  -0.345   0.465  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        1.284   0.665   0.580  0.00  0.00    +0.171 HD
ATOM      5  C   LIG    1        2.207  -1.125   0.004  0.00  0.00    +0.262 C 
ATOM      6  O   LIG    1        2.012  -2.235  -0.489  0.00  0.00    -0.269 OA
BRANCH   5   7
ATOM      7  C   LIG    1        3.582  -0.571   0.112  0.00  0.00    +0.073 A 
ATOM      8  C   LIG    1        3.847   0.703   0.618  0.00  0.00    +0.136 A 
ATOM      9  F   LIG    1        2.852   1.502   1.032  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        5.152   1.185   0.702  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1        6.215   0.390   0.277  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        5.968  -0.885  -0.232  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.658  -1.364  -0.315  0.00  0.00    +0.016 A 
ENDBRANCH   5   7
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  S   LIG    1       -0.961   0.286  -1.119  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1       -0.366   1.594  -0.924  0.00  0.00    -0.152 OA
ATOM     16  O   LIG    1       -0.943  -0.377  -2.404  0.00  0.00    -0.152 OA
BRANCH  14  20
ATOM     17  C   LIG    1       -5.277   0.501   0.370  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1       -4.261   1.204   1.026  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1       -2.942   1.149   0.568  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1       -2.629   0.341  -0.527  0.00  0.00    +0.107 A 
ATOM     21  C   LIG    1       -3.622  -0.405  -1.165  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1       -4.937  -0.339  -0.695  0.00  0.00    +0.024 A 
BRANCH  17  23
ATOM     23  N   LIG    1       -6.568   0.468   0.907  0.00  0.00    -0.358 N 
ATOM     24  H   LIG    1       -7.287   0.214   0.238  0.00  0.00    +0.142 HD
ATOM     25  H   LIG    1       -6.815   1.295   1.442  0.00  0.00    +0.142 HD
ENDBRANCH  17  23
ENDBRANCH  14  20
ENDBRANCH   1  14
TORSDOF 5