REMARK  Name = BDB010031
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.304  -1.100  -0.822  0.00  0.00    +0.143 A 
ATOM      2  N   LIG    1        1.011  -0.990  -1.035  0.00  0.00    -0.216 NA
ATOM      3  C   LIG    1        1.550   0.197  -0.735  0.00  0.00    +0.143 A 
ATOM      4  N   LIG    1        0.859   1.241  -0.267  0.00  0.00    -0.216 NA
ATOM      5  C   LIG    1       -0.451   1.039  -0.096  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -1.077  -0.118  -0.345  0.00  0.00    -0.216 NA
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -0.957  -2.431  -1.105  0.00  0.00    +0.145 C 
BRANCH   7   9
ATOM      8  C   LIG    1       -1.654  -2.828   1.549  0.00  0.00    +0.084 C 
ATOM      9  S   LIG    1       -0.734  -3.660   0.230  0.00  0.00    -0.156 S 
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   3  10
ATOM     10  C   LIG    1        3.041   0.352  -0.909  0.00  0.00    +0.145 C 
BRANCH  10  11
ATOM     11  S   LIG    1        4.001   0.011   0.609  0.00  0.00    -0.156 S 
ATOM     12  C   LIG    1        3.604  -1.744   0.822  0.00  0.00    +0.084 C 
ENDBRANCH  10  11
ENDBRANCH   3  10
BRANCH   5  13
ATOM     13  C   LIG    1       -1.279   2.195   0.413  0.00  0.00    +0.145 C 
BRANCH  13  14
ATOM     14  S   LIG    1       -2.044   3.149  -0.943  0.00  0.00    -0.156 S 
ATOM     15  C   LIG    1       -2.875   4.405   0.055  0.00  0.00    +0.084 C 
ENDBRANCH  13  14
ENDBRANCH   5  13
TORSDOF 6