REMARK  Name = BDB064548
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.917   0.692   0.705  0.00  0.00    +0.162 A 
ATOM      2  C   LIG    1        4.218  -0.410  -0.117  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1        3.178  -1.150  -0.690  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1        1.835  -0.807  -0.453  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        1.536   0.290   0.368  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1        0.197   0.620   0.589  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -0.831  -0.134   0.005  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -2.253   0.202   0.176  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -3.104   0.350  -0.963  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -4.449   0.714  -0.803  0.00  0.00    +0.073 A 
ATOM     11  C   LIG    1       -4.919   0.922   0.475  0.00  0.00    +0.168 A 
ATOM     12  O   LIG    1       -6.189   1.272   0.807  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1       -6.086   1.360   2.245  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1       -4.768   1.027   2.737  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1       -4.111   0.781   1.573  0.00  0.00    +0.167 A 
ATOM     16  N   LIG    1       -2.604   0.087  -2.256  0.00  0.00    -0.342 N 
ATOM     17  H   LIG    1       -3.231   0.462  -2.974  0.00  0.00    +0.146 HD
ATOM     18  C   LIG    1       -2.279  -1.322  -2.521  0.00  0.00    +0.123 C 
ATOM     19  C   LIG    1       -1.584  -2.055  -1.369  0.00  0.00    +0.140 C 
ATOM     20  C   LIG    1       -2.784   0.427   1.462  0.00  0.00    +0.061 A 
ATOM     21  N   LIG    1       -0.515  -1.205  -0.777  0.00  0.00    -0.345 N 
ATOM     22  C   LIG    1        0.778  -1.531  -1.012  0.00  0.00    +0.094 A 
ATOM     23  C   LIG    1        2.582   1.034   0.941  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   1  25
ATOM     24  C   LIG    1        4.750   2.500   2.042  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        4.994   1.362   1.227  0.00  0.00    -0.491 OA
ENDBRANCH   1  25
BRANCH   2  26
ATOM     26  O   LIG    1        5.551  -0.678  -0.295  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1        5.920  -1.764  -1.132  0.00  0.00    +0.277 C 
ENDBRANCH   2  26
TORSDOF 2