REMARK  Name = BDB026785
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.565  -2.203   3.491  0.00  0.00    +0.045 C 
ATOM      2  C   LIG    1       -0.275  -1.119   2.420  0.00  0.00    +0.158 C 
ATOM      3  S   LIG    1       -1.721  -0.995   1.335  0.00  0.00    -0.009 S 
ATOM      4  O   LIG    1       -2.432  -2.264   1.410  0.00  0.00    -0.173 OA
ATOM      5  O   LIG    1       -2.442   0.219   1.680  0.00  0.00    -0.173 OA
ATOM      6  C   LIG    1       -1.136  -0.856  -0.363  0.00  0.00    +0.186 C 
ATOM      7  C   LIG    1        0.236  -0.160  -0.352  0.00  0.00    +0.135 C 
ATOM      8  N   LIG    1        1.174  -1.066   0.346  0.00  0.00    -0.290 N 
ATOM      9  C   LIG    1        0.951  -1.555   1.626  0.00  0.00    +0.243 C 
ATOM     10  O   LIG    1        1.774  -2.318   2.143  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -0.007   0.176   3.196  0.00  0.00    +0.045 C 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -2.220  -0.400  -1.349  0.00  0.00    -0.020 A 
ATOM     13  C   LIG    1       -3.557  -0.833  -1.232  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -4.530  -0.456  -2.164  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -6.153  -0.996  -1.972  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -4.197   0.341  -3.251  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -2.879   0.752  -3.414  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -1.903   0.376  -2.484  0.00  0.00    +0.005 A 
ENDBRANCH   6  12
BRANCH   7  19
ATOM     19  C   LIG    1        0.375   1.309   0.071  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1       -0.702   2.214   0.076  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -0.529   3.562   0.419  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        0.731   4.040   0.754  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1        0.944   5.693   1.172  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        1.819   3.178   0.749  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        1.640   1.833   0.407  0.00  0.00    +0.007 A 
ENDBRANCH   7  19
BRANCH   8  26
ATOM     26  C   LIG    1        2.147  -1.797  -0.486  0.00  0.00    +0.112 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.403  -1.015  -0.696  0.00  0.00    +0.006 C 
ATOM     28  C   LIG    1        3.581  -0.104  -1.886  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1        4.338  -1.399  -1.815  0.00  0.00    +0.005 C 
ENDBRANCH  26  27
ENDBRANCH   8  26
TORSDOF 4