REMARK  Name = BDB000616
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.641  -0.739  -0.177  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -2.457  -0.497  -0.120  0.00  0.00    +0.289 C 
ATOM      3  C   LIG    1       -1.797   0.909  -0.119  0.00  0.00    +0.251 C 
ATOM      4  O   LIG    1       -2.377   1.968  -0.177  0.00  0.00    -0.282 OA
ATOM      5  C   LIG    1       -0.353   0.660  -0.035  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1       -0.190  -0.726   0.008  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        1.058  -1.311   0.089  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1        2.166  -0.460   0.128  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        2.004   0.939   0.085  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1        0.730   1.512   0.002  0.00  0.00    +0.054 A 
ATOM     11 CL   LIG    1        0.578   3.220  -0.049  0.00  0.00    -0.083 Cl
ATOM     12  N   LIG    1       -1.411  -1.391  -0.041  0.00  0.00    -0.278 N 
ATOM     13  H   LIG    1       -1.550  -2.391  -0.024  0.00  0.00    +0.155 HD
ENDROOT
TORSDOF 0