REMARK  Name = BDB002562
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.446   1.422  -0.080  0.00  0.00    -0.197 N 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        2.098   1.836   1.773  0.00  0.00    +0.143 A 
ATOM      3  C   LIG    1        1.133   2.296   0.851  0.00  0.00    +0.093 A 
ATOM      4  C   LIG    1        0.859   3.665   0.754  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        1.512   4.577   1.581  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        2.448   4.125   2.505  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        2.741   2.762   2.603  0.00  0.00    +0.047 A 
BRANCH   2   9
ATOM      8  C   LIG    1        3.470   0.033   2.526  0.00  0.00    +0.277 C 
ATOM      9  O   LIG    1        2.329   0.485   1.807  0.00  0.00    -0.493 OA
ENDBRANCH   2   9
ENDBRANCH   1   3
BRANCH   1  10
ATOM     10  S   LIG    1        1.173   1.288  -1.622  0.00  0.00    +0.075 S 
ATOM     11  O   LIG    1        0.304   0.474  -2.452  0.00  0.00    -0.150 OA
ATOM     12  O   LIG    1        1.562   2.608  -2.079  0.00  0.00    -0.150 OA
BRANCH  10  13
ATOM     13  C   LIG    1        2.667   0.358  -1.356  0.00  0.00    +0.109 A 
ATOM     14  C   LIG    1        3.878   1.034  -1.176  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1        5.058   0.305  -1.016  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        5.036  -1.096  -1.040  0.00  0.00    -0.050 A 
ATOM     17  C   LIG    1        6.311  -1.875  -0.904  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1        3.822  -1.760  -1.263  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        2.638  -1.037  -1.427  0.00  0.00    +0.029 A 
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   1  20
ATOM     20  C   LIG    1       -0.210   0.213   0.506  0.00  0.00    +0.164 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.605  -0.025  -0.106  0.00  0.00    +0.151 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -1.511  -0.920  -1.223  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -1.003  -0.450  -1.923  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -2.538  -0.664   0.940  0.00  0.00    +0.151 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -3.870  -0.896   0.413  0.00  0.00    -0.222 N 
ATOM     26  C   LIG    1       -4.356  -2.113   0.018  0.00  0.00    +0.246 C 
ATOM     27  O   LIG    1       -3.806  -3.199   0.147  0.00  0.00    -0.273 OA
ATOM     28  C   LIG    1       -5.734  -1.895  -0.630  0.00  0.00    +0.107 C 
ATOM     29  C   LIG    1       -6.809  -2.696   0.089  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1       -5.666  -2.210  -2.119  0.00  0.00    +0.041 C 
ATOM     31  N   LIG    1       -5.893  -0.476  -0.405  0.00  0.00    -0.285 N 
ATOM     32  H   LIG    1       -6.645   0.103  -0.754  0.00  0.00    +0.151 HD
ATOM     33  C   LIG    1       -4.767   0.091   0.144  0.00  0.00    +0.309 C 
ATOM     34  O   LIG    1       -4.631   1.287   0.340  0.00  0.00    -0.252 OA
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 9