REMARK  Name = BDB000601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.159  -2.760  -0.848  0.00  0.00    -0.282 OA
ATOM      2  C   LIG    1        2.388  -1.828  -0.867  0.00  0.00    +0.250 C 
ATOM      3  C   LIG    1        2.595  -0.500  -0.291  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        1.451   0.253  -0.557  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1        1.369   1.562  -0.122  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        2.458   2.091   0.584  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        3.605   1.315   0.843  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        0.510  -0.502  -1.278  0.00  0.00    -0.260 N 
ATOM      9  C   LIG    1        3.683  -0.005   0.401  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.978  -1.787  -1.506  0.00  0.00    +0.292 C 
ATOM     11  O   LIG    1        0.440  -2.714  -2.072  0.00  0.00    -0.266 OA
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1       -0.805  -0.050  -1.670  0.00  0.00    +0.149 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -1.805  -0.101  -0.539  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1       -2.375   1.076  -0.032  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.297   1.023   1.016  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -3.663  -0.204   1.563  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -3.112  -1.381   1.062  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -2.190  -1.331   0.016  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH   8  12
TORSDOF 2