REMARK  Name = BDB059529
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.922  -2.453   2.454  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1        1.855  -1.571   1.245  0.00  0.00    +0.044 A 
ATOM      3  N   LIG    1        3.019  -1.142   0.723  0.00  0.00    -0.227 NA
ATOM      4  C   LIG    1        2.940  -0.356  -0.364  0.00  0.00    +0.191 A 
ATOM      5  N   LIG    1        1.801   0.010  -0.970  0.00  0.00    -0.207 NA
ATOM      6  C   LIG    1        0.656  -0.414  -0.415  0.00  0.00    +0.127 A 
ATOM      7  C   LIG    1        0.637  -1.229   0.700  0.00  0.00    +0.067 A 
ENDROOT
BRANCH   6   8
ATOM      8  N   LIG    1       -0.532  -0.035  -1.062  0.00  0.00    -0.299 N 
ATOM      9  H   LIG    1       -0.257   0.580  -1.826  0.00  0.00    +0.154 HD
BRANCH   8  10
ATOM     10  C   LIG    1       -1.730   0.432  -0.466  0.00  0.00    +0.036 A 
ATOM     11  C   LIG    1       -2.954   0.306  -1.167  0.00  0.00    -0.026 A 
ATOM     12  C   LIG    1       -2.987  -0.389  -2.507  0.00  0.00    +0.046 C 
ATOM     13  C   LIG    1       -4.133   0.873  -0.625  0.00  0.00    -0.046 A 
ATOM     14  C   LIG    1       -5.457   0.783  -1.335  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1       -4.080   1.524   0.617  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -2.875   1.652   1.300  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -1.708   1.124   0.755  0.00  0.00    +0.023 A 
ENDBRANCH   8  10
ENDBRANCH   6   8
BRANCH   4  18
ATOM     18  S   LIG    1        4.447   0.218  -1.108  0.00  0.00    -0.075 S 
BRANCH  18  19
ATOM     19  C   LIG    1        5.582   0.020   0.295  0.00  0.00    +0.197 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.202   0.879   1.478  0.00  0.00    +0.315 C 
ATOM     21  O   LIG    1        4.405   1.801   1.532  0.00  0.00    -0.250 OA
BRANCH  20  22
ATOM     22  O   LIG    1        5.917   0.555   2.581  0.00  0.00    -0.480 OA
ATOM     23  H   LIG    1        5.585   1.180   3.259  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 6