REMARK  Name = BDB057625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.621  -1.820  -2.104  0.00  0.00    -0.168 NA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.877  -3.037  -2.962  0.00  0.00    +0.080 C 
ATOM      3  C   LIG    1       -0.725  -4.019  -3.292  0.00  0.00    +0.021 C 
ATOM      4  C   LIG    1       -1.408  -4.245  -4.658  0.00  0.00    +0.003 C 
ATOM      5  C   LIG    1       -2.070  -2.861  -4.487  0.00  0.00    +0.021 C 
ENDBRANCH   1   2
BRANCH   1   6
ATOM      6  S   LIG    1       -2.963  -0.932  -1.485  0.00  0.00    +0.062 S 
ATOM      7  O   LIG    1       -3.230   0.166  -2.389  0.00  0.00    -0.153 OA
ATOM      8  O   LIG    1       -4.003  -1.883  -1.150  0.00  0.00    -0.153 OA
BRANCH   6  12
ATOM      9  C   LIG    1       -1.433   0.701   2.491  0.00  0.00    +0.162 A 
ATOM     10  C   LIG    1       -1.663   1.586   1.416  0.00  0.00    +0.163 A 
ATOM     11  C   LIG    1       -2.134   1.089   0.196  0.00  0.00    +0.078 A 
ATOM     12  C   LIG    1       -2.362  -0.282   0.052  0.00  0.00    +0.109 A 
ATOM     13  C   LIG    1       -2.163  -1.159   1.120  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1       -1.694  -0.666   2.338  0.00  0.00    +0.051 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -0.476   0.393   4.655  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1       -0.975   1.269   3.655  0.00  0.00    -0.491 OA
ENDBRANCH   9  16
BRANCH  10  17
ATOM     17  O   LIG    1       -1.388   2.910   1.657  0.00  0.00    -0.491 OA
ATOM     18  C   LIG    1       -1.616   3.832   0.600  0.00  0.00    +0.277 C 
ENDBRANCH  10  17
ENDBRANCH   6  12
ENDBRANCH   1   6
BRANCH   1  19
ATOM     19  C   LIG    1       -0.479  -0.963  -2.556  0.00  0.00    +0.165 C 
BRANCH  19  20
ATOM     20  C   LIG    1        0.489  -0.581  -1.455  0.00  0.00    +0.058 A 
ATOM     21  N   LIG    1        0.828   0.729  -1.363  0.00  0.00    -0.247 NA
ATOM     22  C   LIG    1        1.668   1.081  -0.361  0.00  0.00    +0.106 A 
ATOM     23  C   LIG    1        2.024   2.484  -0.281  0.00  0.00    +0.031 C 
ATOM     24  C   LIG    1        2.800   2.878   0.734  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1        3.320   1.928   1.793  0.00  0.00    +0.124 C 
ATOM     26  O   LIG    1        3.044   0.525   1.572  0.00  0.00    -0.480 OA
ATOM     27  C   LIG    1        4.847   2.048   1.870  0.00  0.00    +0.060 C 
ATOM     28  C   LIG    1        2.706   2.293   3.149  0.00  0.00    +0.060 C 
ATOM     29  C   LIG    1        2.199   0.185   0.558  0.00  0.00    +0.147 A 
ATOM     30  C   LIG    1        1.865  -1.156   0.428  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1        1.002  -1.550  -0.592  0.00  0.00    +0.028 A 
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 7