REMARK  Name = BDB002522
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.664   0.421   0.763  0.00  0.00    -0.340 N 
ATOM      2  H   LIG    1        0.405   1.344   0.420  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.016   0.145   0.537  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1        2.922   1.219   0.543  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        4.297   1.017   0.393  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        4.784  -0.281   0.254  0.00  0.00    +0.105 A 
ATOM      7  C   LIG    1        3.913  -1.370   0.299  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        2.540  -1.151   0.451  0.00  0.00    +0.025 A 
BRANCH   6   9
ATOM      9  S   LIG    1        6.522  -0.562   0.065  0.00  0.00    +0.056 S 
ATOM     10  O   LIG    1        6.841  -1.859   0.612  0.00  0.00    -0.153 OA
ATOM     11  O   LIG    1        7.229   0.639   0.446  0.00  0.00    -0.153 OA
BRANCH   9  12
ATOM     12  N   LIG    1        6.665  -0.657  -1.611  0.00  0.00    -0.204 NA
ATOM     13  H   LIG    1        7.237   0.124  -1.936  0.00  0.00    +0.144 HD
ATOM     14  H   LIG    1        5.764  -0.693  -2.088  0.00  0.00    +0.144 HD
ENDBRANCH   9  12
ENDBRANCH   6   9
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  C   LIG    1       -0.350  -0.575   0.418  0.00  0.00    +0.140 C 
BRANCH  15  18
ATOM     16  C   LIG    1       -4.011   0.535  -0.020  0.00  0.00    +0.162 A 
ATOM     17  C   LIG    1       -2.743  -0.022  -0.290  0.00  0.00    +0.166 A 
ATOM     18  C   LIG    1       -1.730  -0.013   0.688  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1       -2.029   0.492   1.964  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1       -3.291   1.007   2.248  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -4.275   1.034   1.260  0.00  0.00    +0.049 A 
BRANCH  16  23
ATOM     22  C   LIG    1       -6.131   1.260  -0.849  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -4.912   0.558  -1.053  0.00  0.00    -0.491 OA
ENDBRANCH  16  23
BRANCH  17  24
ATOM     24  O   LIG    1       -2.404  -0.531  -1.522  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -3.284  -1.562  -1.970  0.00  0.00    +0.277 C 
ENDBRANCH  17  24
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 7