REMARK  Name = BDB059200
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.679   1.813   0.814  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1       -0.363   1.647   0.642  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1        0.055   0.490   0.084  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -0.839  -0.492  -0.322  0.00  0.00    +0.118 A 
ATOM      5  C   LIG    1       -2.191  -0.241  -0.108  0.00  0.00    +0.148 A 
ATOM      6  N   LIG    1       -2.596   0.910   0.454  0.00  0.00    -0.205 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.522   0.404  -0.066  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1        2.219   1.441  -0.717  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1        3.606   1.398  -0.875  0.00  0.00    +0.166 A 
ATOM     10  C   LIG    1        4.307   0.282  -0.395  0.00  0.00    +0.204 A 
ATOM     11  C   LIG    1        3.647  -0.753   0.287  0.00  0.00    +0.166 A 
ATOM     12  C   LIG    1        2.260  -0.679   0.451  0.00  0.00    +0.059 A 
BRANCH   9  13
ATOM     13  O   LIG    1        4.348   2.366  -1.502  0.00  0.00    -0.491 OA
ATOM     14  C   LIG    1        3.736   3.638  -1.670  0.00  0.00    +0.277 C 
ENDBRANCH   9  13
BRANCH  10  15
ATOM     15  O   LIG    1        5.678   0.241  -0.518  0.00  0.00    -0.488 OA
ATOM     16  C   LIG    1        6.034  -0.396  -1.744  0.00  0.00    +0.277 C 
ENDBRANCH  10  15
BRANCH  11  17
ATOM     17  O   LIG    1        4.438  -1.775   0.745  0.00  0.00    -0.491 OA
ATOM     18  C   LIG    1        3.807  -2.843   1.437  0.00  0.00    +0.277 C 
ENDBRANCH  11  17
ENDBRANCH   3   7
BRANCH   4  19
ATOM     19  C   LIG    1       -0.414  -1.700  -0.949  0.00  0.00    +0.105 C 
ATOM     20  N   LIG    1       -0.131  -2.725  -1.412  0.00  0.00    -0.191 NA
ENDBRANCH   4  19
BRANCH   5  21
ATOM     21  N   LIG    1       -3.167  -1.178  -0.536  0.00  0.00    -0.266 N 
ATOM     22  H   LIG    1       -2.891  -2.139  -0.369  0.00  0.00    +0.157 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -4.488  -0.884  -0.667  0.00  0.00    +0.240 A 
ATOM     24  N   LIG    1       -5.449  -1.856  -0.818  0.00  0.00    -0.216 N 
ATOM     25  C   LIG    1       -5.298  -3.283  -0.870  0.00  0.00    +0.178 C 
ATOM     26  N   LIG    1       -6.664  -1.299  -0.933  0.00  0.00    -0.043 NA
ATOM     27  N   LIG    1       -6.448   0.006  -0.874  0.00  0.00    -0.021 NA
ATOM     28  N   LIG    1       -5.111   0.276  -0.721  0.00  0.00    -0.092 NA
ENDBRANCH  21  23
ENDBRANCH   5  21
BRANCH   1  29
ATOM     29  S   LIG    1       -2.205   3.354   1.506  0.00  0.00    -0.073 S 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.833   2.874   2.159  0.00  0.00    +0.165 C 
BRANCH  30  32
ATOM     31  C   LIG    1       -3.650   1.350   4.345  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1       -3.730   2.034   3.361  0.00  0.00    -0.094 C 
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 10