REMARK  Name = BDB059187
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.102  -2.219  -1.119  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1        1.328  -1.129  -1.054  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1        0.181  -1.213  -0.338  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1       -0.219  -2.381   0.290  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1        0.658  -3.446   0.177  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        1.806  -3.383  -0.535  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.583   0.048  -0.312  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -0.897   0.686   0.898  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1       -1.624   1.878   0.914  0.00  0.00    +0.166 A 
ATOM     10  C   LIG    1       -1.990   2.486  -0.293  0.00  0.00    +0.204 A 
ATOM     11  C   LIG    1       -1.695   1.866  -1.518  0.00  0.00    +0.166 A 
ATOM     12  C   LIG    1       -0.988   0.657  -1.516  0.00  0.00    +0.059 A 
BRANCH   9  13
ATOM     13  O   LIG    1       -1.867   2.401   2.157  0.00  0.00    -0.491 OA
ATOM     14  C   LIG    1       -3.242   2.722   2.371  0.00  0.00    +0.277 C 
ENDBRANCH   9  13
BRANCH  10  15
ATOM     15  O   LIG    1       -2.670   3.680  -0.287  0.00  0.00    -0.488 OA
ATOM     16  C   LIG    1       -1.742   4.763  -0.349  0.00  0.00    +0.277 C 
ENDBRANCH  10  15
BRANCH  11  17
ATOM     17  O   LIG    1       -2.116   2.523  -2.646  0.00  0.00    -0.491 OA
ATOM     18  C   LIG    1       -1.971   1.851  -3.890  0.00  0.00    +0.277 C 
ENDBRANCH  11  17
ENDBRANCH   3   7
BRANCH   4  19
ATOM     19  C   LIG    1       -1.468  -2.487   0.973  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1       -2.494  -2.572   1.510  0.00  0.00    -0.191 NA
ENDBRANCH   4  19
BRANCH   1  21
ATOM     21  S   LIG    1        3.601  -2.156  -2.057  0.00  0.00    -0.073 S 
BRANCH  21  22
ATOM     22  C   LIG    1        3.821  -0.356  -2.160  0.00  0.00    +0.165 C 
BRANCH  22  24
ATOM     23  C   LIG    1        6.115   0.273  -3.377  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        5.084  -0.014  -2.830  0.00  0.00    -0.094 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   1  21
BRANCH   5  25
ATOM     25  S   LIG    1        0.360  -5.041   0.929  0.00  0.00    -0.042 S 
BRANCH  25  26
ATOM     26  C   LIG    1        0.856  -4.642   2.564  0.00  0.00    +0.141 A 
ATOM     27  S   LIG    1        1.226  -5.856   3.720  0.00  0.00    -0.069 S 
ATOM     28  C   LIG    1        1.533  -4.637   4.885  0.00  0.00    +0.067 A 
ATOM     29  C   LIG    1        1.329  -3.397   4.321  0.00  0.00    +0.120 A 
ATOM     30  N   LIG    1        0.940  -3.400   2.995  0.00  0.00    -0.241 NA
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 10