REMARK  Name = BDB054129
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.849   2.233   0.172  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -1.532   1.052   0.132  0.00  0.00    +0.260 A 
ATOM      3  C   LIG    1       -0.138   0.558   0.018  0.00  0.00    +0.083 A 
ATOM      4  C   LIG    1        0.021  -0.839  -0.013  0.00  0.00    +0.079 A 
ATOM      5  C   LIG    1        1.304  -1.386  -0.119  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        2.425  -0.563  -0.194  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        2.266   0.820  -0.164  0.00  0.00    +0.021 A 
ATOM      8  N   LIG    1       -1.058  -1.740   0.059  0.00  0.00    -0.237 NA
ATOM      9  C   LIG    1       -2.242  -1.248   0.157  0.00  0.00    +0.199 A 
ATOM     10  C   LIG    1        0.989   1.388  -0.058  0.00  0.00    +0.055 A 
ATOM     11 CL   LIG    1        0.926   3.114  -0.031  0.00  0.00    -0.083 Cl
ATOM     12  N   LIG    1       -2.507   0.086   0.195  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1       -3.456   0.423   0.272  0.00  0.00    +0.170 HD
ENDROOT
TORSDOF 0