REMARK  Name = BDB023206
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.902  -2.664   0.295  0.00  0.00    -0.178 N 
ATOM      2  H   LIG    1        1.651  -2.628   1.281  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        1.232  -1.888  -0.652  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1        1.761  -1.540  -1.698  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.091  -1.483  -0.225  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1       -0.737  -0.527  -0.970  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1       -1.941  -0.291  -0.385  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1       -2.091  -1.084   0.740  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -3.278  -0.958   1.469  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1       -4.263  -0.057   1.050  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -4.091   0.726  -0.101  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1       -3.481  -1.690   2.573  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -2.897   0.619  -0.837  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1       -0.901  -1.852   0.837  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1       -5.092   1.640  -0.501  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1       -6.498   1.569  -0.211  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1       -6.691   2.612  -1.316  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -5.324   2.145  -1.826  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1        3.437  -3.267   0.086  0.00  0.00    +0.093 S 
ATOM     20  O   LIG    1        3.371  -4.121  -1.085  0.00  0.00    -0.148 OA
ATOM     21  O   LIG    1        3.817  -3.823   1.369  0.00  0.00    -0.148 OA
BRANCH  19  23
ATOM     22  C   LIG    1        4.364  -0.619   0.263  0.00  0.00    +0.082 A 
ATOM     23  C   LIG    1        4.535  -1.895  -0.250  0.00  0.00    +0.209 A 
ATOM     24  N   LIG    1        5.593  -2.258  -1.040  0.00  0.00    -0.235 NA
ATOM     25  C   LIG    1        6.513  -1.312  -1.311  0.00  0.00    +0.113 A 
ATOM     26  C   LIG    1        6.443  -0.019  -0.822  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1        5.360   0.328  -0.017  0.00  0.00    +0.018 A 
BRANCH  22  30
ATOM     28  C   LIG    1        1.543   1.387   1.825  0.00  0.00    +0.132 C 
ATOM     29  N   LIG    1        2.493   0.891   0.841  0.00  0.00    -0.304 N 
ATOM     30  C   LIG    1        3.249  -0.239   1.147  0.00  0.00    +0.250 C 
ATOM     31  O   LIG    1        3.024  -0.949   2.123  0.00  0.00    -0.270 OA
ATOM     32  C   LIG    1        2.467   1.558  -0.458  0.00  0.00    +0.132 C 
ENDBRANCH  22  30
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 5