REMARK  Name = BDB046931
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.116  -0.270   0.153  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1       -0.795   0.131  -0.049  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        0.177  -0.851  -0.195  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1       -0.107  -2.179  -0.155  0.00  0.00    -0.253 NA
ATOM      5  C   LIG    1       -1.396  -2.535   0.025  0.00  0.00    +0.112 A 
ATOM      6  C   LIG    1       -2.426  -1.629   0.181  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1       -2.908   1.988   0.660  0.00  0.00    -0.325 N 
ATOM      8  H   LIG    1       -3.687   2.601   0.865  0.00  0.00    +0.145 HD
ATOM      9  H   LIG    1       -1.999   2.264   1.002  0.00  0.00    +0.145 HD
ATOM     10  C   LIG    1       -3.226   0.703   0.320  0.00  0.00    +0.242 C 
ATOM     11  O   LIG    1       -4.395   0.363   0.189  0.00  0.00    -0.270 OA
ENDBRANCH   1  10
BRANCH   3  12
ATOM     12  C   LIG    1        1.575  -0.477  -0.400  0.00  0.00    +0.098 A 
ATOM     13  N   LIG    1        1.994   0.850  -0.367  0.00  0.00    -0.224 NA
ATOM     14  C   LIG    1        3.282   0.919  -0.592  0.00  0.00    +0.156 A 
ATOM     15  S   LIG    1        4.076  -0.584  -0.831  0.00  0.00    -0.060 S 
ATOM     16  C   LIG    1        2.580  -1.395  -0.636  0.00  0.00    +0.078 A 
BRANCH  14  17
ATOM     17  N   LIG    1        3.961   2.077  -0.619  0.00  0.00    -0.338 N 
ATOM     18  H   LIG    1        4.956   2.035  -0.433  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        3.496   2.862  -0.179  0.00  0.00    +0.144 HD
ENDBRANCH  14  17
ENDBRANCH   3  12
TORSDOF 3