REMARK  Name = BDB035049
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.332  -0.169  -2.158  0.00  0.00    -0.196 N 
ATOM      2  H   LIG    1        0.135  -1.035  -2.425  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.238   0.577  -1.135  0.00  0.00    +0.192 A 
ATOM      4  C   LIG    1        1.511   0.296  -0.572  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1        1.666   1.275   0.390  0.00  0.00    +0.173 A 
ATOM      6  C   LIG    1        2.781   1.405   1.213  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        3.801   0.457   1.035  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1        3.664  -0.559   0.065  0.00  0.00    +0.052 A 
ATOM      9  O   LIG    1        0.568   2.075   0.400  0.00  0.00    -0.353 OA
ATOM     10  C   LIG    1        2.529  -0.658  -0.760  0.00  0.00    +0.135 A 
ATOM     11  N   LIG    1       -0.332   1.637  -0.556  0.00  0.00    -0.060 NA
BRANCH  10  12
ATOM     12  O   LIG    1        2.326  -1.613  -1.719  0.00  0.00    -0.494 OA
ATOM     13  C   LIG    1        3.441  -2.432  -2.056  0.00  0.00    +0.277 C 
ENDBRANCH  10  12
BRANCH   7  14
ATOM     14  C   LIG    1        5.047   0.520   1.892  0.00  0.00    +0.178 C 
BRANCH  14  15
ATOM     15  N   LIG    1        6.227   0.841   1.100  0.00  0.00    -0.267 N 
ATOM     16  N   LIG    1        7.046  -0.145   0.674  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        8.005   0.507   0.011  0.00  0.00    +0.134 A 
ATOM     18  C   LIG    1        7.809   1.900   0.015  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        6.652   2.088   0.733  0.00  0.00    +0.108 A 
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   1   3
BRANCH   1  20
ATOM     20  S   LIG    1       -1.942  -0.104  -2.578  0.00  0.00    +0.077 S 
ATOM     21  O   LIG    1       -2.190  -1.226  -3.464  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -2.261   1.240  -3.014  0.00  0.00    -0.150 OA
BRANCH  20  24
ATOM     23  C   LIG    1       -2.614  -1.644  -0.398  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1       -2.803  -0.434  -1.067  0.00  0.00    +0.152 A 
ATOM     25  C   LIG    1       -3.698   0.522  -0.568  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1       -4.413   0.284   0.612  0.00  0.00    +0.032 A 
ATOM     27  C   LIG    1       -4.190  -0.922   1.290  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1       -3.295  -1.877   0.796  0.00  0.00    +0.049 A 
BRANCH  26  29
ATOM     29  N   LIG    1       -5.306   1.245   1.124  0.00  0.00    -0.330 N 
ATOM     30  C   LIG    1       -5.973   2.287   0.394  0.00  0.00    +0.106 C 
ATOM     31  C   LIG    1       -6.890   2.435   1.612  0.00  0.00    +0.038 C 
ATOM     32  C   LIG    1       -6.444   1.014   1.968  0.00  0.00    +0.106 C 
ENDBRANCH  26  29
BRANCH  23  34
ATOM     33  C   LIG    1       -2.340  -3.767  -1.266  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -1.702  -2.557  -0.853  0.00  0.00    -0.493 OA
ENDBRANCH  23  34
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 8