REMARK  Name = BDB030619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.932   2.209  -0.467  0.00  0.00    +0.071 C 
ATOM      2  C   LIG    1       -0.693   3.077  -0.595  0.00  0.00    +0.023 C 
ATOM      3  C   LIG    1        0.377   3.055   0.445  0.00  0.00    +0.112 C 
ATOM      4  N   LIG    1        0.897   1.697   0.411  0.00  0.00    -0.296 N 
ATOM      5  C   LIG    1        1.906   1.329   1.289  0.00  0.00    +0.266 C 
ATOM      6  O   LIG    1        2.322   2.123   2.136  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1        0.324   0.880  -0.652  0.00  0.00    +0.112 C 
ATOM      8  C   LIG    1       -0.726   1.751  -1.266  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        2.475  -0.027   1.196  0.00  0.00    +0.143 A 
ATOM     10  N   LIG    1        2.139  -0.998   0.264  0.00  0.00    -0.231 NA
ATOM     11  C   LIG    1        2.892  -2.039   0.536  0.00  0.00    +0.200 A 
ATOM     12  N   LIG    1        3.704  -1.802   1.606  0.00  0.00    -0.334 N 
ATOM     13  C   LIG    1        3.455  -0.530   2.036  0.00  0.00    +0.120 A 
BRANCH  12  14
ATOM     14  C   LIG    1        4.672  -2.723   2.187  0.00  0.00    +0.082 C 
ATOM     15  C   LIG    1        5.809  -3.029   1.213  0.00  0.00    +0.030 C 
ATOM     16  C   LIG    1        4.007  -4.004   2.689  0.00  0.00    +0.030 C 
ENDBRANCH  12  14
ENDBRANCH   5   9
BRANCH   1  17
ATOM     17  C   LIG    1       -3.186   2.601  -1.174  0.00  0.00    +0.173 C 
ATOM     18  O   LIG    1       -3.408   3.791  -1.376  0.00  0.00    -0.291 OA
BRANCH  17  22
ATOM     19  C   LIG    1       -7.237   0.326  -3.271  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -5.945   0.450  -2.538  0.00  0.00    -0.043 A 
ATOM     21  C   LIG    1       -5.271   1.686  -2.278  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1       -4.083   1.532  -1.583  0.00  0.00    +0.055 A 
ATOM     23  S   LIG    1       -3.786  -0.120  -1.251  0.00  0.00    -0.094 S 
ATOM     24  C   LIG    1       -5.226  -0.611  -2.024  0.00  0.00    +0.049 A 
ENDBRANCH  17  22
ENDBRANCH   1  17
TORSDOF 4