REMARK  Name = BDB002494
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.779   2.750   0.136  0.00  0.00    +0.149 C 
ATOM      2  N   LIG    1       -0.394   1.356   0.026  0.00  0.00    -0.340 N 
ATOM      3  C   LIG    1       -1.265   0.284   0.081  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -0.500  -0.874  -0.075  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.146  -2.128  -0.062  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -2.531  -2.193   0.109  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.276  -1.030   0.266  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.856  -0.468  -0.219  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1        2.053  -1.341  -0.398  0.00  0.00    +0.049 C 
ATOM     10  C   LIG    1        3.316  -0.655   0.115  0.00  0.00    +0.082 C 
ATOM     11  S   LIG    1        3.580   0.951  -0.697  0.00  0.00    -0.081 S 
ATOM     12  C   LIG    1        2.076   1.774  -0.268  0.00  0.00    +0.236 C 
ATOM     13  O   LIG    1        2.073   2.988  -0.111  0.00  0.00    -0.278 OA
ATOM     14  C   LIG    1       -2.659   0.225   0.255  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        0.906   0.919  -0.163  0.00  0.00    +0.100 A 
ENDROOT
TORSDOF 0