REMARK  Name = BDB002106
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.959   3.629  -1.021  0.00  0.00    +0.111 C 
ATOM      2  C   LIG    1       -1.710   2.316  -0.996  0.00  0.00    +0.236 C 
ATOM      3  N   LIG    1       -1.281   1.416   0.001  0.00  0.00    -0.160 N 
ATOM      4  O   LIG    1       -2.622   2.134  -1.804  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   5
ATOM      5  N   LIG    1       -0.384   1.852   0.956  0.00  0.00    -0.162 NA
ATOM      6  C   LIG    1        0.834   1.436   0.822  0.00  0.00    +0.167 C 
ATOM      7  C   LIG    1        1.497   0.607  -0.264  0.00  0.00    +0.221 C 
ATOM      8  O   LIG    1        0.986   0.395  -1.349  0.00  0.00    -0.284 OA
ATOM      9  C   LIG    1        2.832   0.124   0.072  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1        3.278   0.670   1.260  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.536   0.346   1.745  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1        5.334  -0.537   1.009  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.872  -1.081  -0.199  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        3.607  -0.748  -0.681  0.00  0.00    +0.013 A 
ATOM     15  S   LIG    1        2.101   1.759   1.978  0.00  0.00    -0.064 S 
ENDBRANCH   3   5
BRANCH   3  16
ATOM     16  C   LIG    1       -1.890   0.136   0.244  0.00  0.00    +0.060 A 
ATOM     17  C   LIG    1       -2.601  -0.551  -0.751  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1       -3.179  -1.810  -0.509  0.00  0.00    -0.049 A 
ATOM     19  C   LIG    1       -3.902  -2.528  -1.611  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -3.022  -2.406   0.744  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -2.319  -1.745   1.746  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -1.759  -0.489   1.498  0.00  0.00    +0.025 A 
ENDBRANCH   3  16
TORSDOF 2