REMARK  Name = BDB000642
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.241  -1.133  -0.029  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1        1.170  -0.087  -0.006  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -0.179  -0.410  -0.007  0.00  0.00    +0.049 A 
ATOM      4  N   LIG    1       -0.730  -1.690  -0.028  0.00  0.00    -0.278 N 
ATOM      5  H   LIG    1       -0.219  -2.561  -0.046  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -2.107  -1.641  -0.021  0.00  0.00    +0.289 C 
ATOM      7  C   LIG    1       -2.463  -0.132   0.007  0.00  0.00    +0.251 C 
ATOM      8  O   LIG    1       -3.578   0.335   0.020  0.00  0.00    -0.282 OA
ATOM      9  O   LIG    1       -2.885  -2.567  -0.035  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -1.175   0.571   0.015  0.00  0.00    +0.067 A 
ATOM     11  C   LIG    1       -0.866   1.914   0.038  0.00  0.00    +0.054 A 
ATOM     12 CL   LIG    1       -2.056   3.149   0.065  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1        0.487   2.267   0.039  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1        1.492   1.279   0.017  0.00  0.00    +0.006 A 
ENDROOT
TORSDOF 0