REMARK  Name = BDB050716
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.359   1.554  -0.591  0.00  0.00    +0.144 S 
ATOM      2  O   LIG    1       -0.502   1.193  -1.989  0.00  0.00    -0.132 OA
ATOM      3  O   LIG    1       -0.806   2.848  -0.111  0.00  0.00    -0.132 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1        1.289   1.337  -0.099  0.00  0.00    +0.178 C 
ATOM      5  C   LIG    1        1.993   0.295  -0.568  0.00  0.00    +0.030 C 
BRANCH   5   6
ATOM      6  C   LIG    1        3.385   0.018  -0.191  0.00  0.00    -0.024 A 
ATOM      7  C   LIG    1        3.798  -1.316  -0.074  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        5.119  -1.625   0.261  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        6.043  -0.603   0.471  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        5.648   0.726   0.340  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.327   1.036   0.006  0.00  0.00    +0.008 A 
ENDBRANCH   5   6
ENDBRANCH   1   4
BRANCH   1  12
ATOM     12  O   LIG    1       -1.046   0.393   0.325  0.00  0.00    -0.343 OA
BRANCH  12  16
ATOM     13  C   LIG    1       -5.091  -0.588   0.463  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1       -4.145  -1.274   1.227  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -2.799  -0.910   1.149  0.00  0.00    +0.049 A 
ATOM     16  C   LIG    1       -2.393   0.134   0.312  0.00  0.00    +0.157 A 
ATOM     17  C   LIG    1       -3.344   0.818  -0.449  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1       -4.694   0.457  -0.375  0.00  0.00    +0.015 A 
BRANCH  13  20
ATOM     19  O   LIG    1       -6.917  -1.869   1.251  0.00  0.00    -0.296 OA
ATOM     20  C   LIG    1       -6.518  -0.961   0.534  0.00  0.00    +0.258 C 
ENDBRANCH  13  20
ENDBRANCH  12  16
ENDBRANCH   1  12
TORSDOF 5