REMARK  Name = BDB041498
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.178  -0.494  -1.442  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1        0.455  -1.250  -1.182  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.128   0.791  -0.977  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -0.615   1.756  -1.052  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.480   0.866  -0.343  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1        2.144  -0.316  -0.209  0.00  0.00    -0.246 NA
ATOM      7  C   LIG    1        3.371  -0.314   0.377  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1        3.954   0.886   0.825  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        3.239   2.088   0.670  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        1.982   2.082   0.081  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  C   LIG    1        4.061  -1.656   0.510  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1        4.144  -2.337   1.858  0.00  0.00    +0.010 C 
ATOM     13  C   LIG    1        3.251  -2.903   0.797  0.00  0.00    +0.010 C 
ENDBRANCH   7  11
BRANCH   8  14
ATOM     14  C   LIG    1        5.327   0.920   1.451  0.00  0.00    +0.180 C 
BRANCH  14  15
ATOM     15  N   LIG    1        6.386   0.761   0.463  0.00  0.00    -0.267 N 
ATOM     16  N   LIG    1        7.200  -0.313   0.517  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        8.049  -0.120  -0.496  0.00  0.00    +0.134 A 
ATOM     18  C   LIG    1        7.797   1.080  -1.184  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        6.722   1.637  -0.532  0.00  0.00    +0.108 A 
ENDBRANCH  14  15
ENDBRANCH   8  14
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  S   LIG    1       -1.637  -0.977  -2.055  0.00  0.00    +0.082 S 
ATOM     21  O   LIG    1       -1.858  -0.211  -3.262  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -1.591  -2.427  -2.108  0.00  0.00    -0.150 OA
BRANCH  20  24
ATOM     23  C   LIG    1       -2.589  -0.925   0.526  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -2.803  -0.549  -0.808  0.00  0.00    +0.192 A 
ATOM     25  C   LIG    1       -3.954   0.156  -1.106  0.00  0.00    +0.154 A 
ATOM     26  O   LIG    1       -4.368   0.547  -2.353  0.00  0.00    -0.489 OA
ATOM     27  C   LIG    1       -5.391   1.534  -2.094  0.00  0.00    +0.240 C 
ATOM     28  C   LIG    1       -6.034   1.212  -0.733  0.00  0.00    +0.028 C 
ATOM     29  C   LIG    1       -7.219   0.251  -0.888  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1       -6.464   2.482  -0.001  0.00  0.00    +0.019 C 
ATOM     31  C   LIG    1       -4.869   0.509  -0.112  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -4.651   0.170   1.215  0.00  0.00    +0.011 A 
ATOM     33  C   LIG    1       -3.496  -0.546   1.532  0.00  0.00    +0.048 A 
BRANCH  23  35
ATOM     34  C   LIG    1       -1.767  -2.967   1.216  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1       -1.457  -1.608   0.894  0.00  0.00    -0.493 OA
ENDBRANCH  23  35
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 7