REMARK  Name = BDB002586
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.624   0.025  -0.607  0.00  0.00    +0.191 A 
ATOM      2  S   LIG    1        0.827   0.918  -0.706  0.00  0.00    -0.030 S 
ATOM      3  C   LIG    1        1.702  -0.528  -0.397  0.00  0.00    +0.134 A 
ATOM      4  N   LIG    1        0.912  -1.574  -0.238  0.00  0.00    -0.140 NA
ATOM      5  N   LIG    1       -0.421  -1.255  -0.362  0.00  0.00    -0.125 NA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.175  -0.575  -0.319  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        3.801  -1.805  -0.052  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1        5.194  -1.909   0.034  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        5.999  -0.781  -0.135  0.00  0.00    -0.050 A 
ATOM     10  C   LIG    1        7.494  -0.896  -0.077  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        5.391   0.445  -0.416  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        3.997   0.548  -0.502  0.00  0.00    +0.011 A 
ENDBRANCH   3   6
BRANCH   1  13
ATOM     13  N   LIG    1       -1.907   0.574  -0.764  0.00  0.00    -0.247 N 
ATOM     14  C   LIG    1       -2.097   1.943  -0.993  0.00  0.00    +0.224 C 
ATOM     15  O   LIG    1       -1.228   2.797  -1.110  0.00  0.00    -0.275 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -3.514   2.414  -1.132  0.00  0.00    +0.076 C 
ATOM     17  C   LIG    1       -3.887   3.827  -0.731  0.00  0.00    +0.013 C 
ATOM     18  C   LIG    1       -4.365   2.672   0.091  0.00  0.00    +0.013 C 
ENDBRANCH  14  16
BRANCH  13  19
ATOM     19  C   LIG    1       -3.043  -0.359  -0.639  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.371  -0.706   0.818  0.00  0.00    +0.179 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -4.422  -2.830   0.673  0.00  0.00    +0.194 C 
ATOM     22  O   LIG    1       -4.595  -1.439   0.915  0.00  0.00    -0.381 OA
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  13  19
ENDBRANCH   1  13
TORSDOF 6