REMARK  Name = BDB002511
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.223  -0.766  -0.597  0.00  0.00    -0.174 NA
ATOM      2  C   LIG    1       -1.018  -1.393  -1.239  0.00  0.00    +0.125 C 
ATOM      3  C   LIG    1        0.291  -0.958  -0.557  0.00  0.00    +0.102 C 
ATOM      4  N   LIG    1        0.531   0.504  -0.559  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1       -0.741   1.252  -0.640  0.00  0.00    +0.102 C 
ATOM      6  C   LIG    1       -1.904   0.538   0.072  0.00  0.00    +0.125 C 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1       -3.141  -1.856   0.341  0.00  0.00    +0.061 S 
ATOM      8  O   LIG    1       -3.510  -2.974  -0.501  0.00  0.00    -0.153 OA
ATOM      9  O   LIG    1       -2.434  -2.063   1.588  0.00  0.00    -0.153 OA
BRANCH   7  14
ATOM     10  C   LIG    1       -8.232   1.257   1.442  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -6.957   0.513   1.168  0.00  0.00    -0.050 A 
ATOM     12  C   LIG    1       -6.678   0.041  -0.122  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -5.510  -0.681  -0.372  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1       -4.621  -0.935   0.674  0.00  0.00    +0.105 A 
ATOM     15  C   LIG    1       -4.896  -0.491   1.970  0.00  0.00    +0.029 A 
ATOM     16  C   LIG    1       -6.065   0.230   2.213  0.00  0.00    +0.005 A 
ENDBRANCH   7  14
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  C   LIG    1        1.432   0.921  -1.653  0.00  0.00    +0.123 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.868   0.476  -1.461  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        3.605  -0.093  -2.504  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        4.934  -0.473  -2.320  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        5.549  -0.279  -1.082  0.00  0.00    +0.007 A 
ATOM     22  C   LIG    1        4.846   0.300  -0.018  0.00  0.00    -0.044 A 
ATOM     23  C   LIG    1        3.509   0.677  -0.225  0.00  0.00    +0.012 A 
BRANCH  22  24
ATOM     24  C   LIG    1        5.489   0.524   1.339  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1        6.681   1.480   1.247  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1        5.900  -0.799   1.991  0.00  0.00    +0.012 C 
ENDBRANCH  22  24
BRANCH  19  27
ATOM     27  O   LIG    1        3.009  -0.277  -3.720  0.00  0.00    -0.506 OA
ATOM     28  H   LIG    1        3.656  -0.676  -4.325  0.00  0.00    +0.292 HD
ENDBRANCH  19  27
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 6