REMARK  Name = BDB022083
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.583   0.347   1.851  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.540  -0.250   1.143  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1        0.533  -0.433  -0.311  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -0.867  -0.296  -0.895  0.00  0.00    +0.029 C 
ATOM      5  C   LIG    1       -1.848  -1.302  -0.267  0.00  0.00    +0.048 C 
ATOM      6  C   LIG    1       -1.507  -1.619   1.201  0.00  0.00    +0.029 C 
ATOM      7  C   LIG    1       -0.714  -0.495   1.855  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1        1.478   0.741   3.010  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -3.260  -0.786  -0.392  0.00  0.00    +0.083 A 
ATOM     10  S   LIG    1       -4.333  -1.459  -1.551  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1       -5.569  -0.375  -1.040  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -5.070   0.431  -0.016  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1       -5.916   1.401   0.558  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1       -7.229   1.539   0.096  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -7.706   0.724  -0.926  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -6.886  -0.245  -1.512  0.00  0.00    +0.017 A 
ATOM     17  N   LIG    1       -3.754   0.187   0.342  0.00  0.00    -0.244 NA
ENDBRANCH   5   9
BRANCH   1  23
ATOM     18  C   LIG    1        6.734   1.105  -0.678  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        5.394   0.874  -0.034  0.00  0.00    -0.047 A 
ATOM     20  C   LIG    1        4.820  -0.414   0.025  0.00  0.00    -0.047 A 
ATOM     21  C   LIG    1        5.524  -1.614  -0.549  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        3.570  -0.582   0.644  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1        2.894   0.517   1.184  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        3.473   1.785   1.152  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        4.713   1.962   0.539  0.00  0.00    +0.004 A 
ENDBRANCH   1  23
TORSDOF 2