REMARK  Name = BDB025393
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.505   0.339  -0.420  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1        0.886   0.443  -0.157  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        1.704  -0.054   0.882  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        3.002   0.129   0.466  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        4.310  -0.238   1.067  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1        5.430   0.644   0.481  0.00  0.00    +0.114 C 
ATOM      7  N   LIG    1        5.356   0.655  -1.021  0.00  0.00    -0.175 NA
ATOM      8  C   LIG    1        4.102   1.330  -1.528  0.00  0.00    +0.166 C 
ATOM      9  C   LIG    1        2.917   0.848  -0.741  0.00  0.00    +0.084 A 
ATOM     10  N   LIG    1        1.657   1.115  -1.077  0.00  0.00    -0.166 NA
ATOM     11  O   LIG    1       -0.998   1.041  -1.301  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1       -4.684   1.013   0.688  0.00  0.00    -0.047 A 
ATOM     13  C   LIG    1       -3.306   0.785   0.639  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -2.784  -0.501   0.398  0.00  0.00    -0.014 A 
ATOM     15  C   LIG    1       -1.267  -0.713   0.374  0.00  0.00    +0.113 C 
ATOM     16  C   LIG    1       -0.909  -2.088  -0.204  0.00  0.00    +0.036 C 
ATOM     17  C   LIG    1       -1.800  -3.148   0.409  0.00  0.00    +0.102 C 
ATOM     18  N   LIG    1       -3.180  -2.895   0.041  0.00  0.00    -0.343 N 
ATOM     19  H   LIG    1       -3.820  -3.612   0.370  0.00  0.00    +0.146 HD
ATOM     20  C   LIG    1       -3.667  -1.597   0.278  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -5.059  -1.360   0.266  0.00  0.00    -0.029 A 
ATOM     22  C   LIG    1       -6.048  -2.472   0.038  0.00  0.00    +0.045 C 
ATOM     23  C   LIG    1       -5.551  -0.062   0.486  0.00  0.00    +0.008 A 
BRANCH  12  25
ATOM     24  C   LIG    1       -5.377   3.156  -0.415  0.00  0.00    +0.009 C 
ATOM     25  C   LIG    1       -5.223   2.405   0.899  0.00  0.00    +0.032 C 
ENDBRANCH  12  25
ENDBRANCH   1  15
BRANCH   7  26
ATOM     26  S   LIG    1        6.746   1.237  -1.809  0.00  0.00    +0.029 S 
ATOM     27  O   LIG    1        6.443   1.363  -3.217  0.00  0.00    -0.158 OA
ATOM     28  O   LIG    1        7.248   2.356  -1.042  0.00  0.00    -0.158 OA
ATOM     29  C   LIG    1        7.866  -0.136  -1.627  0.00  0.00    +0.215 C 
ENDBRANCH   7  26
BRANCH   3  30
ATOM     30  N   LIG    1        1.278  -0.595   2.055  0.00  0.00    -0.343 N 
ATOM     31  H   LIG    1        0.538  -0.108   2.564  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1        2.000  -0.850   2.730  0.00  0.00    +0.144 HD
ENDBRANCH   3  30
TORSDOF 4