REMARK  Name = BDB022075
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.265  -1.497  -2.577  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -2.763  -0.771  -1.721  0.00  0.00    +0.247 C 
ATOM      3  N   LIG    1       -1.389  -0.565  -1.604  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -0.510  -1.360  -2.456  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1        0.898  -1.441  -1.885  0.00  0.00    +0.029 C 
ATOM      6  C   LIG    1        1.530  -0.047  -1.728  0.00  0.00    +0.048 C 
ATOM      7  C   LIG    1        0.476   1.060  -1.541  0.00  0.00    +0.029 C 
ATOM      8  C   LIG    1       -0.780   0.537  -0.851  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        2.512  -0.053  -0.581  0.00  0.00    +0.083 A 
ATOM     10  S   LIG    1        4.197  -0.201  -0.882  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        4.507  -0.134   0.809  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        3.294  -0.005   1.488  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        3.309   0.068   2.896  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        4.527   0.011   3.583  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        5.723  -0.118   2.885  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.735  -0.193   1.489  0.00  0.00    +0.017 A 
ATOM     17  N   LIG    1        2.166   0.040   0.685  0.00  0.00    -0.244 NA
ENDBRANCH   6   9
BRANCH   2  18
ATOM     18  C   LIG    1       -3.678  -0.094  -0.773  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1       -3.495  -0.210   0.611  0.00  0.00    +0.014 A 
ATOM     20  C   LIG    1       -4.386   0.419   1.483  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1       -5.461   1.145   0.969  0.00  0.00    +0.018 A 
ATOM     22 BR   LIG    1       -6.666   1.995   2.153  0.00  0.00    -0.050 Br
ATOM     23  C   LIG    1       -5.661   1.242  -0.408  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1       -4.772   0.614  -1.282  0.00  0.00    +0.014 A 
ENDBRANCH   2  18
TORSDOF 2