REMARK  Name = BDB006079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.458  -2.665  -0.058  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   1   8
ATOM      2  O   LIG    1       -3.454   4.368  -2.512  0.00  0.00    -0.266 OA
ATOM      3  C   LIG    1       -2.997   3.287  -2.158  0.00  0.00    +0.273 A 
ATOM      4  C   LIG    1       -3.873   2.216  -1.664  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1       -3.286   1.023  -1.283  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -4.035  -0.054  -0.786  0.00  0.00    +0.077 A 
ATOM      7  N   LIG    1       -3.450  -1.276  -0.374  0.00  0.00    -0.232 NA
ATOM      8  C   LIG    1       -2.152  -1.373  -0.496  0.00  0.00    +0.123 A 
ATOM      9  N   LIG    1       -1.371  -0.357  -1.006  0.00  0.00    -0.325 N 
ATOM     10  H   LIG    1       -0.358  -0.512  -1.040  0.00  0.00    +0.169 HD
ATOM     11  C   LIG    1       -5.419   0.106  -0.689  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -6.028   1.308  -1.076  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -1.830   0.869  -1.395  0.00  0.00    +0.162 A 
ATOM     14  N   LIG    1       -1.058   1.824  -1.823  0.00  0.00    -0.153 NA
ATOM     15  C   LIG    1       -5.256   2.367  -1.563  0.00  0.00    +0.014 A 
ATOM     16  N   LIG    1       -1.648   3.004  -2.189  0.00  0.00    -0.241 N 
ATOM     17  H   LIG    1       -1.029   3.727  -2.540  0.00  0.00    +0.192 HD
ENDBRANCH   1   8
BRANCH   1  18
ATOM     18  N   LIG    1       -0.251  -2.312   0.706  0.00  0.00    -0.294 NA
ATOM     19  C   LIG    1        0.793  -3.336   0.603  0.00  0.00    +0.102 C 
ATOM     20  C   LIG    1        2.175  -2.922   1.155  0.00  0.00    +0.125 C 
ATOM     21  N   LIG    1        2.453  -1.457   1.042  0.00  0.00    -0.175 NA
ATOM     22  C   LIG    1        1.633  -0.558   1.916  0.00  0.00    +0.111 C 
ATOM     23  C   LIG    1        0.635  -1.276   2.824  0.00  0.00    +0.032 C 
ATOM     24  C   LIG    1       -0.557  -1.878   2.069  0.00  0.00    +0.086 C 
BRANCH  21  25
ATOM     25  S   LIG    1        2.699  -0.915  -0.564  0.00  0.00    +0.061 S 
ATOM     26  O   LIG    1        3.643  -1.810  -1.200  0.00  0.00    -0.153 OA
ATOM     27  O   LIG    1        1.403  -0.659  -1.164  0.00  0.00    -0.153 OA
BRANCH  25  28
ATOM     28  C   LIG    1        3.519   0.640  -0.322  0.00  0.00    +0.105 A 
ATOM     29  C   LIG    1        4.827   0.646   0.172  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1        5.481   1.863   0.363  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        4.832   3.060   0.057  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        3.529   3.047  -0.445  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1        2.867   1.835  -0.640  0.00  0.00    +0.028 A 
ENDBRANCH  25  28
ENDBRANCH  21  25
ENDBRANCH   1  18
TORSDOF 4