REMARK  Name = BDB064081
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.132  -0.322  -1.841  0.00  0.00    +0.137 C 
ATOM      2  N   LIG    1       -2.707  -0.076  -0.534  0.00  0.00    -0.281 N 
ATOM      3  C   LIG    1       -2.009  -0.054   0.662  0.00  0.00    +0.100 C 
ATOM      4  C   LIG    1       -0.723  -0.227   0.995  0.00  0.00    +0.059 C 
ATOM      5  C   LIG    1       -3.009   0.258   1.734  0.00  0.00    +0.264 C 
ATOM      6  O   LIG    1       -2.800   0.402   2.924  0.00  0.00    -0.268 OA
ATOM      7  N   LIG    1       -4.203   0.355   1.084  0.00  0.00    -0.262 N 
ATOM      8  H   LIG    1       -5.074   0.554   1.547  0.00  0.00    +0.157 HD
ATOM      9  C   LIG    1       -4.063   0.160  -0.268  0.00  0.00    +0.144 C 
ATOM     10  S   LIG    1       -5.354   0.218  -1.308  0.00  0.00    -0.018 S 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        0.407  -0.563   0.187  0.00  0.00    +0.095 A 
ATOM     12  C   LIG    1        1.701   0.023   0.345  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        2.505  -0.623  -0.587  0.00  0.00    +0.066 A 
ATOM     14  C   LIG    1        3.863  -0.335  -0.759  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        4.412   0.657   0.059  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        3.634   1.324   1.005  0.00  0.00    +0.001 A 
ATOM     17  N   LIG    1        1.682  -1.523  -1.204  0.00  0.00    -0.276 N 
ATOM     18  H   LIG    1        1.927  -2.179  -1.936  0.00  0.00    +0.189 HD
ATOM     19  C   LIG    1        2.276   1.019   1.160  0.00  0.00    +0.012 A 
ATOM     20  N   LIG    1        0.415  -1.512  -0.758  0.00  0.00    -0.173 NA
ENDBRANCH   4  11
TORSDOF 1