REMARK  Name = BDB061104
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.287  -0.623  -1.146  0.00  0.00    +0.124 A 
ATOM      2  N   LIG    1       -2.882   0.329  -0.422  0.00  0.00    -0.197 NA
ATOM      3  C   LIG    1       -2.067   0.992   0.418  0.00  0.00    +0.272 A 
ATOM      4  N   LIG    1       -0.749   0.818   0.603  0.00  0.00    -0.212 NA
ATOM      5  C   LIG    1       -0.181  -0.140  -0.152  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1       -0.930  -0.883  -1.055  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        1.275  -0.326   0.031  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        2.092   0.771   0.380  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        3.483   0.613   0.551  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        4.039  -0.652   0.375  0.00  0.00    +0.046 A 
ATOM     11  N   LIG    1        5.393  -0.533   0.599  0.00  0.00    -0.361 N 
ATOM     12  H   LIG    1        6.052  -1.297   0.545  0.00  0.00    +0.165 HD
ATOM     13  C   LIG    1        5.710   0.763   0.907  0.00  0.00    +0.083 A 
ATOM     14  C   LIG    1        3.272  -1.769   0.040  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        4.545   1.496   0.887  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1        1.891  -1.581  -0.124  0.00  0.00    +0.012 A 
ENDBRANCH   5   7
BRANCH   3  17
ATOM     17  S   LIG    1       -2.821   2.289   1.382  0.00  0.00    +0.029 S 
ATOM     18  O   LIG    1       -3.069   1.778   2.721  0.00  0.00    -0.167 OA
ATOM     19  O   LIG    1       -2.070   3.518   1.176  0.00  0.00    -0.167 OA
ATOM     20  C   LIG    1       -4.402   2.535   0.619  0.00  0.00    +0.204 C 
ENDBRANCH   3  17
BRANCH   1  22
ATOM     21  C   LIG    1       -3.085  -2.753  -1.937  0.00  0.00    +0.127 C 
ATOM     22  N   LIG    1       -3.116  -1.303  -2.037  0.00  0.00    -0.332 N 
ATOM     23  H   LIG    1       -4.054  -0.935  -1.884  0.00  0.00    +0.147 HD
ENDBRANCH   1  22
TORSDOF 3