REMARK  Name = BDB027925
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.881   0.427  -0.597  0.00  0.00    -0.333 N 
ATOM      2  H   LIG    1       -1.139  -0.172  -1.378  0.00  0.00    +0.147 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.882   0.485   0.481  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1       -2.030  -0.865   1.191  0.00  0.00    +0.239 C 
ATOM      5  O   LIG    1       -1.486  -1.125   2.262  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1       -2.821  -1.799   0.564  0.00  0.00    -0.255 N 
ATOM      7  H   LIG    1       -2.912  -2.674   1.063  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -3.855  -1.526  -0.292  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -4.740  -2.352  -0.495  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.831  -0.186  -0.985  0.00  0.00    +0.098 C 
ATOM     11  C   LIG    1       -3.240   0.896  -0.094  0.00  0.00    +0.041 C 
ENDBRANCH   1   3
BRANCH   1  16
ATOM     12  C   LIG    1        3.311   0.262   0.045  0.00  0.00    +0.138 A 
ATOM     13  C   LIG    1        2.744   0.029  -1.213  0.00  0.00    +0.084 A 
ATOM     14 CL   LIG    1        3.727  -0.319  -2.595  0.00  0.00    -0.080 Cl
ATOM     15  C   LIG    1        1.356   0.076  -1.395  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        0.487   0.332  -0.326  0.00  0.00    +0.029 A 
ATOM     17  C   LIG    1        1.065   0.604   0.916  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1        2.455   0.555   1.107  0.00  0.00    +0.049 A 
BRANCH  12  20
ATOM     19  C   LIG    1        5.259   0.386   1.419  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1        4.675   0.193   0.138  0.00  0.00    -0.494 OA
ENDBRANCH  12  20
ENDBRANCH   1  16
TORSDOF 3