REMARK  Name = BDB046974
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.247   1.561   0.243  0.00  0.00    +0.010 A 
ATOM      2  C   LIG    1       -1.179   1.547   0.359  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1       -1.623   0.232   0.161  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -2.999  -0.092   0.201  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1       -3.584  -1.439  -0.021  0.00  0.00    +0.246 C 
ATOM      6  N   LIG    1       -2.833  -2.577   0.080  0.00  0.00    -0.310 N 
ATOM      7  H   LIG    1       -3.394  -3.417  -0.018  0.00  0.00    +0.149 HD
ATOM      8  C   LIG    1       -1.479  -2.701   0.562  0.00  0.00    +0.126 C 
ATOM      9  C   LIG    1       -0.490  -1.960  -0.319  0.00  0.00    +0.141 C 
ATOM     10  O   LIG    1       -4.779  -1.558  -0.286  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -3.908   0.960   0.442  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -3.482   2.266   0.643  0.00  0.00    +0.001 A 
ATOM     13  N   LIG    1       -0.488  -0.527  -0.065  0.00  0.00    -0.337 N 
ATOM     14  C   LIG    1       -2.124   2.568   0.603  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        0.648   0.260  -0.022  0.00  0.00    +0.055 A 
ENDROOT
BRANCH  15  16
ATOM     16  C   LIG    1        2.001  -0.240  -0.253  0.00  0.00    -0.001 A 
ATOM     17  C   LIG    1        2.792  -0.657   0.824  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1        4.087  -1.130   0.601  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        4.592  -1.180  -0.697  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1        6.187  -1.763  -0.971  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1        3.814  -0.759  -1.775  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        2.518  -0.288  -1.552  0.00  0.00    +0.011 A 
ENDBRANCH  15  16
BRANCH   1  23
ATOM     23  C   LIG    1        1.126   2.764   0.380  0.00  0.00    +0.227 C 
BRANCH  23  25
ATOM     24  O   LIG    1        0.875   4.688  -0.800  0.00  0.00    -0.149 OA
ATOM     25  N   LIG    1        1.214   3.504  -0.914  0.00  0.00    -0.064 NA
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 3