REMARK  Name = BDB032926
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.245  -1.361  -0.428  0.00  0.00    +0.252 C 
ATOM      2  N   LIG    1        1.636  -1.525  -0.419  0.00  0.00    -0.249 N 
ATOM      3  C   LIG    1        2.137  -2.859  -0.729  0.00  0.00    +0.140 C 
ATOM      4  O   LIG    1       -0.534  -2.308  -0.317  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -1.357   0.552   0.024  0.00  0.00    -0.035 A 
ATOM      6  C   LIG    1       -0.345  -0.035  -0.762  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1        0.116   0.608  -1.925  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -0.397   1.851  -2.291  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.375   2.454  -1.506  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -1.851   1.811  -0.361  0.00  0.00    +0.004 A 
BRANCH   5  11
ATOM     11  C   LIG    1       -1.916  -0.100   1.270  0.00  0.00    +0.035 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -4.409  -0.186   0.702  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -3.150  -0.976   1.027  0.00  0.00    +0.001 C 
ENDBRANCH  11  13
ENDBRANCH   5  11
ENDBRANCH   1   6
BRANCH   2  14
ATOM     14  C   LIG    1        2.552  -0.568   0.022  0.00  0.00    +0.169 A 
ATOM     15  S   LIG    1        2.086   0.750   1.019  0.00  0.00    -0.029 S 
ATOM     16  C   LIG    1        3.704   1.253   1.111  0.00  0.00    +0.166 A 
ATOM     17  C   LIG    1        4.512   0.379   0.423  0.00  0.00    +0.152 A 
ATOM     18  N   LIG    1        3.850  -0.677  -0.179  0.00  0.00    -0.231 NA
BRANCH  16  19
ATOM     19  N   LIG    1        4.131   2.451   1.846  0.00  0.00    -0.022 NA
ATOM     20  O   LIG    1        5.345   2.679   1.806  0.00  0.00    -0.143 OA
ENDBRANCH  16  19
ENDBRANCH   2  14
TORSDOF 5