REMARK  Name = BDB055417
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.360  -1.163  -0.808  0.00  0.00    -0.185 NA
ATOM      2  H   LIG    1       -0.673  -2.119  -0.979  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   5
ATOM      3  N   LIG    1       -3.113  -0.128   1.358  0.00  0.00    -0.268 N 
ATOM      4  C   LIG    1       -1.734  -0.672   1.200  0.00  0.00    +0.136 C 
ATOM      5  C   LIG    1       -1.267  -0.198  -0.183  0.00  0.00    +0.096 C 
ATOM      6  C   LIG    1       -2.570  -0.085  -0.956  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -3.519   0.504   0.076  0.00  0.00    +0.118 C 
BRANCH   3   9
ATOM      8  N   LIG    1       -4.186   0.345   3.561  0.00  0.00    -0.174 NA
ATOM      9  C   LIG    1       -3.693   0.121   2.538  0.00  0.00    +0.169 C 
ENDBRANCH   3   9
ENDBRANCH   1   5
BRANCH   1  10
ATOM     10  S   LIG    1        0.782  -0.627  -1.912  0.00  0.00    +0.059 S 
ATOM     11  O   LIG    1        1.268  -1.806  -2.592  0.00  0.00    -0.153 OA
ATOM     12  O   LIG    1        0.216   0.493  -2.630  0.00  0.00    -0.153 OA
BRANCH  10  13
ATOM     13  C   LIG    1        2.071  -0.042  -0.844  0.00  0.00    +0.105 A 
ATOM     14  C   LIG    1        2.279   1.331  -0.688  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        3.300   1.777   0.152  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        4.108   0.855   0.821  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        3.903  -0.515   0.651  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        2.884  -0.970  -0.186  0.00  0.00    +0.028 A 
ENDBRANCH  10  13
ENDBRANCH   1  10
TORSDOF 4