REMARK  Name = BDB001033
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.389   2.287   2.715  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        5.837   1.667   1.813  0.00  0.00    +0.257 A 
ATOM      3  C   LIG    1        6.453   1.531   0.456  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        5.776   0.809  -0.549  0.00  0.00    -0.007 A 
ATOM      5  C   LIG    1        6.363   0.689  -1.812  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        7.604   1.280  -2.068  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        8.268   1.993  -1.068  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        4.484   0.216  -0.220  0.00  0.00    -0.011 A 
ATOM      9  C   LIG    1        3.582  -0.588  -1.114  0.00  0.00    +0.073 C 
ATOM     10  C   LIG    1        2.441  -0.879  -0.172  0.00  0.00    -0.032 A 
ATOM     11  C   LIG    1        2.699  -0.306   1.089  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        1.802  -0.447   2.135  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        0.627  -1.170   1.907  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        0.369  -1.726   0.637  0.00  0.00    +0.106 A 
ATOM     15  C   LIG    1        1.283  -1.597  -0.416  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        3.982   0.369   1.013  0.00  0.00    +0.054 A 
ATOM     17  C   LIG    1        7.694   2.121   0.196  0.00  0.00    +0.014 A 
ATOM     18  N   LIG    1        4.612   1.058   1.998  0.00  0.00    -0.321 N 
ATOM     19  H   LIG    1        4.200   1.148   2.916  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  14  20
ATOM     20  S   LIG    1       -1.125  -2.654   0.372  0.00  0.00    +0.058 S 
ATOM     21  O   LIG    1       -0.836  -3.686  -0.599  0.00  0.00    -0.153 OA
ATOM     22  O   LIG    1       -1.708  -2.954   1.660  0.00  0.00    -0.153 OA
BRANCH  20  23
ATOM     23  N   LIG    1       -2.110  -1.540  -0.398  0.00  0.00    -0.190 NA
ATOM     24  H   LIG    1       -2.070  -1.574  -1.415  0.00  0.00    +0.148 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -2.461  -0.286   0.264  0.00  0.00    +0.106 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.827   0.191  -0.221  0.00  0.00    +0.021 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.963  -0.710   0.273  0.00  0.00    +0.036 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -6.307  -0.196  -0.182  0.00  0.00    -0.047 A 
ATOM     29  C   LIG    1       -7.016   0.729   0.596  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -8.249   1.218   0.164  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -8.784   0.790  -1.050  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -8.085  -0.127  -1.833  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.851  -0.617  -1.403  0.00  0.00    +0.003 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  14  20
TORSDOF 6