REMARK  Name = BDB022074
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.412  -2.332  -0.155  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -3.081  -1.150  -0.176  0.00  0.00    +0.248 C 
ATOM      3  N   LIG    1       -1.786  -0.703  -0.429  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -0.752  -1.702  -0.694  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1        0.310  -1.175  -1.651  0.00  0.00    +0.029 C 
ATOM      6  C   LIG    1        0.958   0.127  -1.146  0.00  0.00    +0.048 C 
ATOM      7  C   LIG    1        0.104   0.861  -0.101  0.00  0.00    +0.029 C 
ATOM      8  C   LIG    1       -1.380   0.704  -0.399  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        2.379  -0.062  -0.668  0.00  0.00    +0.083 A 
ATOM     10  S   LIG    1        2.779  -1.161   0.594  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        4.438  -0.729   0.455  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        4.573   0.231  -0.549  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        5.858   0.734  -0.837  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        6.965   0.269  -0.120  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        6.806  -0.689   0.877  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.543  -1.204   1.182  0.00  0.00    +0.017 A 
ATOM     17  N   LIG    1        3.396   0.601  -1.177  0.00  0.00    -0.244 NA
ENDBRANCH   6   9
BRANCH   2  18
ATOM     18  C   LIG    1       -4.135  -0.143   0.034  0.00  0.00    +0.051 A 
ATOM     19  C   LIG    1       -4.537   0.245   1.315  0.00  0.00    +0.030 A 
ATOM     20 BR   LIG    1       -3.732  -0.444   2.888  0.00  0.00    -0.050 Br
ATOM     21  C   LIG    1       -5.554   1.194   1.457  0.00  0.00    +0.016 A 
ATOM     22  C   LIG    1       -6.166   1.742   0.326  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.768   1.344  -0.951  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.755   0.398  -1.100  0.00  0.00    +0.014 A 
ENDBRANCH   2  18
TORSDOF 2