REMARK  Name = BDB002823
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.501  -0.434   0.485  0.00  0.00    +0.186 C 
ATOM      2  N   LIG    1       -1.262  -0.043   0.356  0.00  0.00    -0.169 NA
ENDROOT
BRANCH   1   4
ATOM      3  N   LIG    1       -3.047  -2.935  -0.021  0.00  0.00    -0.189 NA
ATOM      4  C   LIG    1       -2.825  -1.821   0.230  0.00  0.00    +0.123 C 
ENDBRANCH   1   4
BRANCH   1   5
ATOM      5  C   LIG    1       -3.519   0.617   0.842  0.00  0.00    +0.107 C 
ATOM      6  S   LIG    1       -4.789   0.241   1.835  0.00  0.00    -0.033 S 
BRANCH   5   7
ATOM      7  N   LIG    1       -3.318   1.875   0.332  0.00  0.00    -0.350 N 
ATOM      8  H   LIG    1       -3.907   2.641   0.635  0.00  0.00    +0.143 HD
ATOM      9  H   LIG    1       -2.445   2.102  -0.137  0.00  0.00    +0.143 HD
ENDBRANCH   5   7
ENDBRANCH   1   5
BRANCH   2  10
ATOM     10  N   LIG    1       -0.290  -0.939   0.012  0.00  0.00    -0.237 N 
ATOM     11  H   LIG    1       -0.504  -1.746  -0.578  0.00  0.00    +0.174 HD
BRANCH  10  12
ATOM     12  C   LIG    1        1.021  -0.452  -0.191  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1        1.429   0.815   0.248  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        2.749   1.244   0.080  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        3.686   0.402  -0.512  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        3.306  -0.872  -0.927  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        1.986  -1.298  -0.757  0.00  0.00    +0.025 A 
ENDBRANCH  10  12
ENDBRANCH   2  10
TORSDOF 5