REMARK  Name = BDB006066
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -7.411   1.806   2.126  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -6.342   1.490   1.616  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -6.212   0.256   0.828  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -4.976  -0.035   0.281  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -4.745  -1.192  -0.479  0.00  0.00    +0.077 A 
ATOM      6  N   LIG    1       -3.481  -1.509  -1.038  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -2.515  -0.658  -0.814  0.00  0.00    +0.123 A 
ATOM      8  N   LIG    1       -2.693   0.500  -0.092  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1       -1.862   1.062   0.066  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -5.819  -2.061  -0.681  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -7.080  -1.778  -0.136  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -3.858   0.888   0.502  0.00  0.00    +0.162 A 
ATOM     13  N   LIG    1       -3.973   1.976   1.204  0.00  0.00    -0.153 NA
ATOM     14  C   LIG    1       -7.279  -0.618   0.621  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -5.200   2.253   1.745  0.00  0.00    -0.241 N 
ATOM     16  H   LIG    1       -5.272   3.109   2.286  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1       -1.127  -0.929  -1.397  0.00  0.00    +0.158 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -0.096  -0.255  -0.563  0.00  0.00    -0.294 NA
ATOM     19  C   LIG    1        1.165  -0.189  -1.343  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1        2.304   0.686  -0.762  0.00  0.00    +0.100 C 
ATOM     21  N   LIG    1        2.710   0.406   0.637  0.00  0.00    -0.297 NA
ATOM     22  C   LIG    1        1.657   0.868   1.554  0.00  0.00    +0.086 C 
ATOM     23  C   LIG    1        0.602  -0.197   1.842  0.00  0.00    +0.031 C 
ATOM     24  C   LIG    1        0.144  -1.048   0.662  0.00  0.00    +0.086 C 
BRANCH  21  25
ATOM     25  C   LIG    1        3.976   1.109   0.945  0.00  0.00    +0.119 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.182   0.527   0.233  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1        6.038   1.353  -0.509  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        7.159   0.820  -1.148  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.438  -0.542  -1.048  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.599  -1.373  -0.308  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.479  -0.841   0.332  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH  21  25
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 4