REMARK  Name = BDB002625
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.984  -1.421   1.933  0.00  0.00    +0.133 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.640  -1.403   0.587  0.00  0.00    -0.014 A 
ATOM      3  C   LIG    1       -2.308  -0.295  -0.029  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1       -2.747  -0.719  -1.284  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -3.434   0.120  -2.170  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1       -3.679   1.433  -1.761  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -3.255   1.887  -0.515  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -2.376  -2.036  -1.421  0.00  0.00    -0.360 N 
ATOM      9  H   LIG    1       -2.569  -2.604  -2.235  0.00  0.00    +0.165 HD
ATOM     10  C   LIG    1       -2.570   1.035   0.359  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -1.710  -2.458  -0.303  0.00  0.00    +0.087 A 
ENDBRANCH   1   2
BRANCH   1  14
ATOM     12  N   LIG    1        1.015  -0.382   1.014  0.00  0.00    -0.264 N 
ATOM     13  H   LIG    1        0.368   0.129   0.428  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        0.539  -1.349   1.872  0.00  0.00    +0.223 C 
ATOM     15  O   LIG    1        1.211  -2.074   2.603  0.00  0.00    -0.275 OA
BRANCH  12  19
ATOM     16  C   LIG    1        4.561   2.031  -1.117  0.00  0.00    +0.066 C 
ATOM     17  C   LIG    1        4.004   1.032  -0.171  0.00  0.00    +0.047 A 
ATOM     18  N   LIG    1        2.629   0.873  -0.109  0.00  0.00    -0.230 NA
ATOM     19  C   LIG    1        2.322  -0.050   0.773  0.00  0.00    +0.165 A 
ATOM     20  S   LIG    1        3.636  -0.769   1.580  0.00  0.00    -0.060 S 
ATOM     21  C   LIG    1        4.715   0.213   0.685  0.00  0.00    +0.071 A 
ENDBRANCH  12  19
ENDBRANCH   1  14
TORSDOF 3