REMARK  Name = BDB064542
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.138   0.233   0.530  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        4.207  -0.966  -0.206  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1        3.032  -1.544  -0.699  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1        1.782  -0.942  -0.469  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        1.714   0.251   0.262  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1        0.464   0.830   0.482  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -0.705   0.235  -0.018  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1       -2.023   0.822   0.241  0.00  0.00    +0.044 A 
ATOM      9  C   LIG    1       -3.005   0.117   0.980  0.00  0.00    +0.133 A 
ATOM     10  C   LIG    1       -4.239   0.683   1.313  0.00  0.00    +0.095 A 
ATOM     11  C   LIG    1       -4.488   1.957   0.858  0.00  0.00    +0.170 A 
ATOM     12  O   LIG    1       -5.627   2.667   1.064  0.00  0.00    -0.452 OA
ATOM     13  C   LIG    1       -5.309   3.906   0.392  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1       -4.002   3.892  -0.227  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1       -3.562   2.655   0.122  0.00  0.00    +0.167 A 
ATOM     16  O   LIG    1       -2.707  -1.150   1.416  0.00  0.00    -0.491 OA
ATOM     17  C   LIG    1       -3.346  -2.135   0.598  0.00  0.00    +0.231 C 
ATOM     18  C   LIG    1       -2.363  -2.670  -0.439  0.00  0.00    +0.062 C 
ATOM     19  C   LIG    1       -1.806  -1.584  -1.355  0.00  0.00    +0.125 C 
ATOM     20  C   LIG    1       -2.327   2.124  -0.197  0.00  0.00    +0.063 A 
ATOM     21  N   LIG    1       -0.618  -0.921  -0.737  0.00  0.00    -0.346 N 
ATOM     22  C   LIG    1        0.595  -1.497  -0.951  0.00  0.00    +0.094 A 
ATOM     23  C   LIG    1        2.894   0.831   0.758  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   1  25
ATOM     24  C   LIG    1        5.321   1.924   1.748  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        5.334   0.732   0.975  0.00  0.00    -0.491 OA
ENDBRANCH   1  25
BRANCH   2  26
ATOM     26  O   LIG    1        5.463  -1.485  -0.387  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1        5.598  -2.706  -1.099  0.00  0.00    +0.277 C 
ENDBRANCH   2  26
TORSDOF 2