REMARK  Name = BDB032923
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.212  -2.749  -0.236  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -0.495  -1.719   0.380  0.00  0.00    +0.221 C 
ATOM      3  N   LIG    1        0.371  -0.636   0.594  0.00  0.00    -0.250 N 
ATOM      4  C   LIG    1        0.152   0.306   1.700  0.00  0.00    +0.115 C 
ATOM      5  C   LIG    1       -0.549   1.602   1.290  0.00  0.00    +0.019 C 
ATOM      6  C   LIG    1       -2.046   1.479   0.994  0.00  0.00    +0.002 C 
ATOM      7  C   LIG    1       -2.372   0.665  -0.256  0.00  0.00    +0.001 C 
ATOM      8  C   LIG    1       -2.813  -0.774   0.019  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1       -1.909  -1.599   0.928  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   3  10
ATOM     10  C   LIG    1        1.457  -0.548  -0.296  0.00  0.00    +0.169 A 
ATOM     11  S   LIG    1        2.692   0.623  -0.009  0.00  0.00    -0.028 S 
ATOM     12  C   LIG    1        3.501   0.108  -1.407  0.00  0.00    +0.185 A 
ATOM     13  C   LIG    1        2.806  -0.894  -2.031  0.00  0.00    +0.153 A 
ATOM     14  N   LIG    1        1.632  -1.251  -1.396  0.00  0.00    -0.230 NA
BRANCH  12  15
ATOM     15  N   LIG    1        4.734   0.690  -1.825  0.00  0.00    +0.065 N 
ATOM     16  O   LIG    1        5.219   1.593  -1.131  0.00  0.00    -0.126 OA
ATOM     17  O   LIG    1        5.230   0.241  -2.867  0.00  0.00    -0.126 OA
ENDBRANCH  12  15
ENDBRANCH   3  10
TORSDOF 2