REMARK  Name = BDB063362
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.754   0.251  -0.034  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        2.267   0.100   0.112  0.00  0.00    -0.049 A 
ATOM      3  C   LIG    1        1.708  -1.171   0.330  0.00  0.00    +0.020 A 
ATOM      4  C   LIG    1        0.332  -1.282   0.431  0.00  0.00    +0.040 A 
ATOM      5  S   LIG    1       -0.611  -2.782   0.738  0.00  0.00    -0.047 S 
ATOM      6  C   LIG    1       -2.051  -1.826   0.683  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -1.818  -0.508   0.434  0.00  0.00    -0.257 N 
ATOM      8  C   LIG    1       -3.053   0.084   0.392  0.00  0.00    +0.220 A 
ATOM      9  N   LIG    1       -3.963  -0.840   0.656  0.00  0.00    -0.112 NA
ATOM     10  N   LIG    1       -3.324  -2.066   0.828  0.00  0.00    -0.120 NA
ATOM     11  C   LIG    1       -0.482  -0.144   0.299  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1        0.036   1.118   0.083  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        1.427   1.229  -0.018  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   8  14
ATOM     14  N   LIG    1       -3.274   1.386   0.105  0.00  0.00    -0.327 N 
ATOM     15  H   LIG    1       -4.260   1.606  -0.026  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1       -2.718   1.808  -0.632  0.00  0.00    +0.145 HD
ENDBRANCH   8  14
TORSDOF 1