REMARK  Name = BDB059526
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.734   0.547  -1.753  0.00  0.00    +0.192 A 
ATOM      2  N   LIG    1        1.407   0.392  -1.618  0.00  0.00    -0.207 NA
ATOM      3  C   LIG    1        0.958  -0.237  -0.521  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1        1.818  -0.760   0.413  0.00  0.00    +0.084 A 
ATOM      5  C   LIG    1        3.150  -0.563   0.161  0.00  0.00    +0.135 A 
ATOM      6 CL   LIG    1        4.342  -1.161   1.242  0.00  0.00    -0.062 Cl
ATOM      7  N   LIG    1        3.648   0.079  -0.901  0.00  0.00    -0.210 NA
ENDROOT
BRANCH   3   8
ATOM      8  N   LIG    1       -0.429  -0.382  -0.428  0.00  0.00    -0.299 N 
ATOM      9  H   LIG    1       -0.852   0.032  -1.256  0.00  0.00    +0.154 HD
BRANCH   8  10
ATOM     10  C   LIG    1       -1.296  -0.380   0.675  0.00  0.00    +0.036 A 
ATOM     11  C   LIG    1       -2.592  -0.877   0.532  0.00  0.00    -0.022 A 
ATOM     12  C   LIG    1       -3.217  -1.478  -0.695  0.00  0.00    +0.037 C 
ATOM     13  C   LIG    1       -4.705  -1.443  -0.329  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1       -4.782  -1.572   1.196  0.00  0.00    +0.037 C 
ATOM     15  C   LIG    1       -3.489  -0.939   1.613  0.00  0.00    -0.024 A 
ATOM     16  C   LIG    1       -3.110  -0.500   2.869  0.00  0.00    +0.045 A 
ATOM     17 CL   LIG    1       -4.174  -0.587   4.215  0.00  0.00    -0.083 Cl
ATOM     18  C   LIG    1       -1.827   0.021   3.034  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1       -0.933   0.077   1.949  0.00  0.00    +0.025 A 
ENDBRANCH   8  10
ENDBRANCH   3   8
BRANCH   1  20
ATOM     20  S   LIG    1        3.283   1.401  -3.209  0.00  0.00    -0.075 S 
BRANCH  20  21
ATOM     21  C   LIG    1        4.936   1.925  -2.663  0.00  0.00    +0.197 C 
BRANCH  21  23
ATOM     22  O   LIG    1        3.922   3.332  -0.908  0.00  0.00    -0.250 OA
ATOM     23  C   LIG    1        4.892   2.847  -1.467  0.00  0.00    +0.315 C 
BRANCH  23  24
ATOM     24  O   LIG    1        6.135   3.150  -1.028  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1        5.976   3.739  -0.260  0.00  0.00    +0.295 HD
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6