REMARK  Name = BDB002606
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.155   0.213   1.953  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1        0.846   0.341   2.903  0.00  0.00    +0.160 HD
ATOM      3  C   LIG    1        2.497   0.018   1.779  0.00  0.00    +0.411 C 
ATOM      4  O   LIG    1        3.237   0.006   2.761  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -1.856   0.366  -0.171  0.00  0.00    +0.107 A 
ATOM      6  S   LIG    1       -1.375   0.483   1.481  0.00  0.00    -0.035 S 
ATOM      7  C   LIG    1        0.226   0.225   0.957  0.00  0.00    +0.190 A 
ATOM      8  N   LIG    1        0.364   0.068  -0.335  0.00  0.00    -0.126 NA
ATOM      9  N   LIG    1       -0.847   0.149  -0.993  0.00  0.00    -0.144 NA
BRANCH   5  10
ATOM     10  C   LIG    1       -3.290   0.492  -0.637  0.00  0.00    +0.046 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -4.401  -1.461   0.670  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -3.993  -0.882  -0.678  0.00  0.00    +0.007 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -4.071   1.603   0.091  0.00  0.00    +0.007 C 
ATOM     14  C   LIG    1       -5.431   1.891  -0.530  0.00  0.00    +0.004 C 
ENDBRANCH  10  13
ENDBRANCH   5  10
ENDBRANCH   1   7
BRANCH   3  15
ATOM     15  O   LIG    1        2.903  -0.154   0.463  0.00  0.00    -0.411 OA
BRANCH  15  16
ATOM     16  C   LIG    1        4.272  -0.358   0.248  0.00  0.00    +0.133 A 
ATOM     17  C   LIG    1        5.212   0.617   0.578  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        6.559   0.388   0.297  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        6.951  -0.800  -0.324  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.998  -1.760  -0.671  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        4.651  -1.537  -0.392  0.00  0.00    +0.046 A 
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 6