REMARK  Name = BDB002693
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.791   0.203  -0.618  0.00  0.00    +0.115 A 
ATOM      2  N   LIG    1        0.875  -0.821  -0.501  0.00  0.00    -0.246 N 
ATOM      3  N   LIG    1        1.385  -1.920   0.109  0.00  0.00    -0.178 NA
ATOM      4  C   LIG    1        2.650  -1.578   0.362  0.00  0.00    +0.136 A 
ATOM      5  C   LIG    1        2.958  -0.277  -0.073  0.00  0.00    +0.064 A 
ENDROOT
BRANCH   1   6
ATOM      6  N   LIG    1        1.517   1.404  -1.174  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1        0.559   1.751  -1.190  0.00  0.00    +0.144 HD
ATOM      8  H   LIG    1        2.178   2.165  -1.029  0.00  0.00    +0.144 HD
ENDBRANCH   1   6
BRANCH   2   9
ATOM      9  C   LIG    1       -0.491  -0.856  -1.010  0.00  0.00    +0.187 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -1.426  -0.113  -0.103  0.00  0.00    +0.011 A 
ATOM     11  S   LIG    1       -2.224   1.301  -0.654  0.00  0.00    -0.100 S 
ATOM     12  C   LIG    1       -3.029   1.506   0.840  0.00  0.00    +0.045 A 
ATOM     13  C   LIG    1       -2.704   0.519   1.743  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1       -1.780  -0.418   1.198  0.00  0.00    +0.013 A 
ENDBRANCH   9  10
ENDBRANCH   2   9
TORSDOF 3