REMARK  Name = BDB049873
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.141   4.197  -0.517  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -2.703   4.023  -0.101  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.199   2.728  -0.067  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -0.841   2.575   0.440  0.00  0.00    +0.144 C 
ATOM      5  C   LIG    1       -0.248   1.222   0.120  0.00  0.00    -0.010 A 
ATOM      6  C   LIG    1        1.154   1.064   0.447  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        1.825  -0.070   0.189  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        1.095  -1.202  -0.478  0.00  0.00    +0.259 A 
ATOM      9  N   LIG    1       -0.268  -0.999  -0.750  0.00  0.00    -0.311 N 
ATOM     10  O   LIG    1        1.696  -2.239  -0.758  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -0.924   0.203  -0.447  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -2.391   0.369  -0.771  0.00  0.00    +0.073 C 
ATOM     13  C   LIG    1       -3.037   1.536  -0.024  0.00  0.00    +0.114 C 
ATOM     14  O   LIG    1       -2.018   5.006   0.181  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   7  15
ATOM     15  C   LIG    1        3.258  -0.170   0.533  0.00  0.00    -0.011 A 
ATOM     16  C   LIG    1        3.696   0.038   1.849  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1        5.054  -0.051   2.158  0.00  0.00    +0.042 A 
ATOM     18 CL   LIG    1        5.578   0.209   3.777  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1        5.989  -0.348   1.170  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        5.563  -0.562  -0.140  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        4.205  -0.474  -0.456  0.00  0.00    +0.009 A 
ENDBRANCH   7  15
BRANCH   9  22
ATOM     22  C   LIG    1       -0.972  -2.123  -1.372  0.00  0.00    +0.128 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -1.565  -3.028  -0.326  0.00  0.00    +0.009 C 
ATOM     24  C   LIG    1       -0.798  -4.220   0.191  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -1.994  -4.426  -0.697  0.00  0.00    +0.005 C 
ENDBRANCH  22  23
ENDBRANCH   9  22
TORSDOF 3