REMARK  Name = BDB022077
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.852   2.041  -2.017  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        2.735   1.163  -1.166  0.00  0.00    +0.249 C 
ATOM      3  N   LIG    1        1.521   0.758  -0.615  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        1.395  -0.187   0.496  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1       -0.035  -0.674   0.687  0.00  0.00    +0.029 C 
ATOM      6  C   LIG    1       -1.014   0.495   0.893  0.00  0.00    +0.048 C 
ATOM      7  C   LIG    1       -0.613   1.750   0.095  0.00  0.00    +0.029 C 
ATOM      8  C   LIG    1        0.293   1.405  -1.081  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -2.413   0.057   0.534  0.00  0.00    +0.083 A 
ATOM     10  S   LIG    1       -3.576  -0.236   1.764  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1       -4.741  -0.651   0.566  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -4.153  -0.537  -0.696  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1       -4.930  -0.832  -1.834  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1       -6.263  -1.229  -1.684  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -6.828  -1.335  -0.416  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -6.078  -1.048   0.729  0.00  0.00    +0.017 A 
ATOM     17  N   LIG    1       -2.828  -0.135  -0.699  0.00  0.00    -0.244 NA
ENDBRANCH   6   9
BRANCH   2  18
ATOM     18  C   LIG    1        3.978   0.558  -0.666  0.00  0.00    +0.072 A 
ATOM     19  C   LIG    1        4.344  -0.730  -1.053  0.00  0.00    +0.138 A 
ATOM     20  F   LIG    1        3.546  -1.462  -1.843  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        5.540  -1.284  -0.610  0.00  0.00    +0.077 A 
ATOM     22  C   LIG    1        6.370  -0.529   0.210  0.00  0.00    +0.126 A 
ATOM     23  F   LIG    1        7.523  -1.055   0.641  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1        6.028   0.768   0.588  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        4.827   1.323   0.143  0.00  0.00    +0.019 A 
ENDBRANCH   2  18
TORSDOF 2