REMARK  Name = BDB006091
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -7.731  -1.121  -0.889  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -6.526  -0.901  -0.881  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -5.952   0.158  -0.039  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -4.583   0.348  -0.085  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -3.934   1.329   0.676  0.00  0.00    +0.077 A 
ATOM      6  N   LIG    1       -2.534   1.531   0.635  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -1.841   0.748  -0.150  0.00  0.00    +0.123 A 
ATOM      8  N   LIG    1       -2.429  -0.228  -0.927  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1       -1.854  -0.809  -1.520  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -4.720   2.131   1.504  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -6.110   1.952   1.564  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -3.769  -0.501  -0.958  0.00  0.00    +0.162 A 
ATOM     13  N   LIG    1       -4.277  -1.437  -1.704  0.00  0.00    -0.153 NA
ATOM     14  C   LIG    1       -6.730   0.964   0.791  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -5.633  -1.618  -1.651  0.00  0.00    -0.241 N 
ATOM     16  H   LIG    1       -6.015  -2.354  -2.238  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1       -0.320   0.922  -0.214  0.00  0.00    +0.158 C 
BRANCH  17  18
ATOM     18  N   LIG    1        0.320   0.230   0.916  0.00  0.00    -0.293 NA
ATOM     19  C   LIG    1        1.634   0.832   1.220  0.00  0.00    +0.102 C 
ATOM     20  C   LIG    1        2.548  -0.087   2.051  0.00  0.00    +0.125 C 
ATOM     21  N   LIG    1        2.842  -1.350   1.320  0.00  0.00    -0.174 NA
ATOM     22  C   LIG    1        1.794  -1.762   0.351  0.00  0.00    +0.125 C 
ATOM     23  C   LIG    1        0.407  -1.236   0.770  0.00  0.00    +0.102 C 
BRANCH  21  24
ATOM     24  S   LIG    1        4.450  -1.690   0.917  0.00  0.00    +0.061 S 
ATOM     25  O   LIG    1        5.279  -1.381   2.063  0.00  0.00    -0.153 OA
ATOM     26  O   LIG    1        4.484  -2.998   0.296  0.00  0.00    -0.153 OA
BRANCH  24  27
ATOM     27  C   LIG    1        4.820  -0.490  -0.348  0.00  0.00    +0.105 A 
ATOM     28  C   LIG    1        4.633  -0.822  -1.694  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1        4.942   0.112  -2.683  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        5.452   1.362  -2.327  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.666   1.679  -0.985  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        5.359   0.750   0.009  0.00  0.00    +0.028 A 
ENDBRANCH  24  27
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 4