REMARK  Name = BDB061912
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.407   0.696  -0.855  0.00  0.00    -0.294 N 
ATOM      2  H   LIG    1       -0.385   1.182  -1.740  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        3.867  -0.352  -0.504  0.00  0.00    +0.021 C 
ATOM      4  C   LIG    1        3.272   0.906   0.115  0.00  0.00    +0.072 C 
ATOM      5  S   LIG    1        2.034   1.625  -0.989  0.00  0.00    -0.086 S 
ATOM      6  C   LIG    1        0.758   0.745  -0.154  0.00  0.00    +0.154 C 
ATOM      7  N   LIG    1        1.072   0.242   0.989  0.00  0.00    -0.262 NA
ATOM      8  C   LIG    1        2.449   0.615   1.364  0.00  0.00    +0.158 C 
ENDBRANCH   1   6
BRANCH   1   9
ATOM      9  C   LIG    1       -1.631   0.093  -0.528  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -1.863  -0.608   0.660  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -3.108  -1.191   0.926  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -4.144  -1.083   0.005  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -3.937  -0.392  -1.184  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -2.692   0.189  -1.445  0.00  0.00    +0.023 A 
ENDBRANCH   1   9
TORSDOF 2