REMARK  Name = BDB002561
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.129  -1.336   0.429  0.00  0.00    -0.282 N 
ATOM      2  H   LIG    1        0.286  -1.082  -0.469  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.674  -1.953   1.366  0.00  0.00    +0.228 C 
ATOM      4  O   LIG    1        0.369  -2.206   2.530  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -2.014  -0.181  -0.518  0.00  0.00    +0.141 A 
ATOM      6  C   LIG    1       -1.457  -0.878   0.576  0.00  0.00    +0.076 A 
ATOM      7  C   LIG    1       -2.223  -1.073   1.727  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1       -3.528  -0.582   1.795  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -4.077   0.104   0.713  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -3.323   0.303  -0.445  0.00  0.00    +0.047 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -1.561   0.926  -2.578  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1       -1.194  -0.053  -1.614  0.00  0.00    -0.493 OA
ENDBRANCH   5  12
ENDBRANCH   1   6
BRANCH   3  13
ATOM     13  C   LIG    1        2.055  -2.305   0.835  0.00  0.00    +0.173 C 
BRANCH  13  14
ATOM     14  S   LIG    1        3.227  -0.961   1.190  0.00  0.00    -0.075 S 
BRANCH  14  15
ATOM     15  C   LIG    1        2.783   0.185  -0.018  0.00  0.00    +0.210 A 
ATOM     16  N   LIG    1        3.080   1.514   0.038  0.00  0.00    -0.223 N 
ATOM     17  C   LIG    1        3.780   2.258   1.048  0.00  0.00    +0.177 C 
ATOM     18  N   LIG    1        2.588   2.128  -1.054  0.00  0.00    -0.043 NA
ATOM     19  N   LIG    1        2.002   1.167  -1.757  0.00  0.00    -0.022 NA
ATOM     20  N   LIG    1        2.115  -0.049  -1.124  0.00  0.00    -0.102 NA
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   3  13
TORSDOF 5