REMARK  Name = BDB023127
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.481   0.272  -2.978  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1       -0.256   0.991  -2.016  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1       -1.040   2.112  -1.719  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1       -1.006   2.551  -0.808  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.805   0.765  -1.053  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.526  -0.399  -1.161  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.453  -0.408  -0.167  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        2.348   0.743   0.595  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        3.232   0.893   1.669  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.179  -0.100   1.938  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.272  -1.253   1.143  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        3.176   1.981   2.450  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.382  -1.422   0.068  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        1.290   1.497   0.020  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        5.228  -2.250   1.439  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        6.478  -2.079   2.125  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        6.864  -3.461   1.587  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        5.781  -3.217   0.531  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  S   LIG    1       -2.414   2.522  -2.560  0.00  0.00    +0.081 S 
ATOM     20  O   LIG    1       -1.997   2.893  -3.893  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.107   3.477  -1.716  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -3.395   1.068  -2.587  0.00  0.00    +0.185 A 
ATOM     23  C   LIG    1       -3.625   0.344  -1.413  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -4.380  -0.832  -1.446  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1       -4.936  -1.266  -2.649  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1       -4.732  -0.527  -3.813  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1       -3.963   0.636  -3.778  0.00  0.00    +0.154 A 
ATOM     28  F   LIG    1       -3.821   1.322  -4.919  0.00  0.00    -0.203 F 
BRANCH  23  29
ATOM     29  O   LIG    1       -3.072   0.741  -0.222  0.00  0.00    -0.487 OA
BRANCH  29  30
ATOM     30  C   LIG    1       -4.008   1.331   0.718  0.00  0.00    +0.174 C 
ATOM     31  C   LIG    1       -3.361   2.278   1.761  0.00  0.00    +0.045 C 
ATOM     32  C   LIG    1       -3.287   1.079   2.721  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1       -4.431   0.440   1.913  0.00  0.00    +0.045 C 
ENDBRANCH  29  30
ENDBRANCH  23  29
ENDBRANCH  19  22
ENDBRANCH   3  19
TORSDOF 6