REMARK  Name = BDB002828
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.591  -0.617   0.704  0.00  0.00    -0.200 N 
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -4.727  -4.518   1.523  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1       -3.659  -3.486   1.308  0.00  0.00    -0.050 A 
ATOM      4  C   LIG    1       -3.728  -2.609   0.219  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -2.717  -1.669   0.003  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -1.616  -1.611   0.861  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1       -1.544  -2.483   1.947  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.554  -3.423   2.164  0.00  0.00    +0.005 A 
ENDBRANCH   1   6
BRANCH   1   9
ATOM      9  S   LIG    1       -0.728   0.785   1.672  0.00  0.00    +0.075 S 
ATOM     10  O   LIG    1       -1.008   0.408   3.043  0.00  0.00    -0.150 OA
ATOM     11  O   LIG    1        0.399   1.647   1.367  0.00  0.00    -0.150 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -2.185   1.595   1.038  0.00  0.00    +0.109 A 
ATOM     13  C   LIG    1       -2.063   2.572   0.046  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1       -3.206   3.218  -0.428  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -4.467   2.913   0.103  0.00  0.00    -0.050 A 
ATOM     16  C   LIG    1       -5.697   3.588  -0.430  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1       -4.573   1.940   1.106  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -3.434   1.292   1.586  0.00  0.00    +0.029 A 
ENDBRANCH   9  12
ENDBRANCH   1   9
BRANCH   1  19
ATOM     19  C   LIG    1        0.016  -0.453  -0.648  0.00  0.00    +0.164 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.551  -0.575  -0.562  0.00  0.00    +0.151 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.887  -1.960  -0.379  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        2.866  -2.024  -0.341  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        2.205  -0.055  -1.855  0.00  0.00    +0.151 C 
BRANCH  23  24
ATOM     24  N   LIG    1        3.562   0.427  -1.637  0.00  0.00    -0.222 N 
ATOM     25  C   LIG    1        4.599  -0.320  -1.150  0.00  0.00    +0.246 C 
ATOM     26  O   LIG    1        4.530  -1.492  -0.799  0.00  0.00    -0.273 OA
ATOM     27  C   LIG    1        5.859   0.558  -1.088  0.00  0.00    +0.107 C 
ATOM     28  C   LIG    1        6.298   0.755   0.357  0.00  0.00    +0.041 C 
ATOM     29  C   LIG    1        6.961  -0.018  -1.964  0.00  0.00    +0.041 C 
ATOM     30  N   LIG    1        5.326   1.779  -1.644  0.00  0.00    -0.285 N 
ATOM     31  H   LIG    1        5.829   2.647  -1.780  0.00  0.00    +0.151 HD
ATOM     32  C   LIG    1        3.988   1.683  -1.946  0.00  0.00    +0.309 C 
ATOM     33  O   LIG    1        3.331   2.593  -2.423  0.00  0.00    -0.252 OA
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 8