REMARK  Name = BDB048875
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.575   2.263  -0.814  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1        5.173   1.131  -0.557  0.00  0.00    +0.197 C 
ATOM      3  C   LIG    1        3.732   0.937  -0.274  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        3.162  -0.290   0.014  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1        1.788  -0.420   0.280  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.928   0.686   0.263  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        1.519   1.924  -0.032  0.00  0.00    +0.024 A 
ATOM      8  S   LIG    1        4.141  -1.735   0.054  0.00  0.00    +0.026 S 
ATOM      9  O   LIG    1        3.703  -2.562  -1.054  0.00  0.00    -0.164 OA
ATOM     10  O   LIG    1        4.110  -2.215   1.421  0.00  0.00    -0.164 OA
ATOM     11  C   LIG    1        5.802  -1.303  -0.280  0.00  0.00    +0.104 A 
ATOM     12  C   LIG    1        6.763  -2.324  -0.274  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        8.096  -2.018  -0.537  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1        8.463  -0.701  -0.802  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        7.496   0.309  -0.805  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        2.891   2.053  -0.296  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        6.148   0.016  -0.541  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   6  18
ATOM     18  N   LIG    1       -0.427   0.564   0.526  0.00  0.00    -0.330 N 
ATOM     19  C   LIG    1       -0.953  -0.580   1.280  0.00  0.00    +0.105 C 
ATOM     20  C   LIG    1       -2.229  -0.186   2.023  0.00  0.00    +0.023 C 
ATOM     21  C   LIG    1       -3.338   0.310   1.077  0.00  0.00    -0.004 C 
ATOM     22  C   LIG    1       -2.745   0.926  -0.203  0.00  0.00    +0.023 C 
ATOM     23  C   LIG    1       -1.383   1.569   0.044  0.00  0.00    +0.105 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -4.332  -0.825   0.751  0.00  0.00    +0.038 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.545  -0.362  -0.021  0.00  0.00    -0.047 A 
ATOM     26  C   LIG    1       -6.549   0.383   0.613  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -7.666   0.818  -0.102  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -7.790   0.513  -1.456  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -6.798  -0.228  -2.096  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.681  -0.664  -1.382  0.00  0.00    +0.003 A 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH   6  18
TORSDOF 3