REMARK  Name = BDB015426
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.960   0.327  -2.760  0.00  0.00    +0.201 C 
ATOM      2  N   LIG    1       -1.645  -0.863  -3.078  0.00  0.00    -0.172 N 
ATOM      3  C   LIG    1       -2.742  -0.527  -4.002  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1       -2.379   0.902  -4.386  0.00  0.00    +0.166 C 
ATOM      5  N   LIG    1       -1.363   1.369  -3.417  0.00  0.00    -0.253 NA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        2.807   1.090  -0.954  0.00  0.00    -0.296 NA
ATOM      7  C   LIG    1        2.515   0.204  -2.100  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1        1.187  -0.578  -1.988  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1        0.023   0.320  -1.810  0.00  0.00    -0.300 N 
ATOM     10  C   LIG    1        0.369   1.623  -1.200  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1        1.578   1.499  -0.250  0.00  0.00    +0.103 C 
BRANCH   6  16
ATOM     12  C   LIG    1        6.550  -0.499   3.218  0.00  0.00    +0.007 C 
ATOM     13  C   LIG    1        5.307  -0.061   2.445  0.00  0.00    -0.014 C 
ATOM     14  C   LIG    1        5.557   1.270   1.728  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1        4.340   1.707   0.913  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1        3.914   0.625  -0.099  0.00  0.00    +0.057 C 
ATOM     17  C   LIG    1        3.664  -0.714   0.624  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1        4.880  -1.144   1.448  0.00  0.00    +0.005 C 
ENDBRANCH   6  16
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  S   LIG    1       -1.947  -2.174  -2.061  0.00  0.00    +0.077 S 
ATOM     20  O   LIG    1       -2.843  -3.077  -2.760  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -0.714  -2.688  -1.504  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -2.878  -1.447  -0.726  0.00  0.00    +0.109 A 
ATOM     23  C   LIG    1       -4.274  -1.457  -0.763  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1       -4.996  -0.910   0.300  0.00  0.00    +0.006 A 
ATOM     25  C   LIG    1       -4.335  -0.364   1.413  0.00  0.00    -0.045 A 
ATOM     26  C   LIG    1       -2.932  -0.388   1.443  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1       -2.204  -0.934   0.384  0.00  0.00    +0.029 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -5.103   0.234   2.579  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1       -5.948   1.433   2.141  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1       -5.967  -0.816   3.281  0.00  0.00    +0.012 C 
ENDBRANCH  25  28
ENDBRANCH  19  22
ENDBRANCH   2  19
TORSDOF 5