REMARK  Name = BDB058844
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.205  -0.699  -0.621  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1       -0.365  -1.472  -1.288  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -2.017  -1.911   0.543  0.00  0.00    +0.259 C 
ATOM      4  N   LIG    1       -1.270  -0.747   0.487  0.00  0.00    -0.228 N 
ATOM      5  H   LIG    1       -1.023  -0.248   1.341  0.00  0.00    +0.171 HD
ATOM      6  O   LIG    1       -2.091  -2.698  -0.394  0.00  0.00    -0.269 OA
BRANCH   3   9
ATOM      7  C   LIG    1       -4.902  -2.610   0.587  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -4.091  -2.481   1.847  0.00  0.00    -0.038 A 
ATOM      9  C   LIG    1       -2.723  -2.151   1.826  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -1.994  -2.068   3.024  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -2.625  -2.299   4.245  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.979  -2.623   4.275  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -4.706  -2.720   3.086  0.00  0.00    +0.004 A 
ENDBRANCH   3   9
ENDBRANCH   1   4
BRANCH   1  14
ATOM     14  S   LIG    1        1.396  -0.832  -0.024  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1        1.376  -0.391   1.357  0.00  0.00    -0.152 OA
ATOM     16  O   LIG    1        1.885  -2.139  -0.401  0.00  0.00    -0.152 OA
BRANCH  14  17
ATOM     17  C   LIG    1        2.227   0.394  -0.994  0.00  0.00    +0.107 A 
ATOM     18  C   LIG    1        2.149   1.737  -0.612  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        2.818   2.720  -1.356  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1        3.576   2.338  -2.489  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1        4.243   3.326  -3.231  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        4.166   4.670  -2.863  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        3.421   5.044  -1.748  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        3.650   0.982  -2.848  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        2.752   4.076  -0.999  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        2.982   0.009  -2.103  0.00  0.00    +0.029 A 
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 4