REMARK  Name = BDB062861
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.758   1.024  -0.841  0.00  0.00    -0.293 N 
ATOM      2  C   LIG    1       -0.518   1.139  -1.474  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        0.008   2.229  -1.701  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1        0.186  -0.076  -1.911  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        1.242  -0.626  -1.200  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1        1.929  -0.260   0.029  0.00  0.00    -0.006 A 
ATOM      7  C   LIG    1        2.896  -1.238   0.327  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        2.853  -2.254  -0.741  0.00  0.00    +0.194 C 
ATOM      9  O   LIG    1        3.534  -3.253  -0.827  0.00  0.00    -0.287 OA
ATOM     10  C   LIG    1        3.720  -1.195   1.436  0.00  0.00    +0.012 A 
ATOM     11  C   LIG    1        3.571  -0.107   2.293  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        2.622   0.893   2.016  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        1.799   0.822   0.882  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        1.806  -1.820  -1.687  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        1.403  -2.454  -2.851  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        0.373  -1.862  -3.578  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -0.231  -0.680  -3.114  0.00  0.00    +0.014 A 
ENDBRANCH   2   4
BRANCH   1  18
ATOM     18  C   LIG    1       -2.518   2.258  -0.605  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.851   3.195   0.395  0.00  0.00    +0.139 C 
BRANCH  19  21
ATOM     20  O   LIG    1       -2.325   5.537   0.153  0.00  0.00    -0.251 OA
ATOM     21  C   LIG    1       -1.668   4.566  -0.195  0.00  0.00    +0.306 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -0.712   4.639  -1.143  0.00  0.00    -0.481 OA
ATOM     23  H   LIG    1       -0.289   3.768  -1.364  0.00  0.00    +0.295 HD
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
BRANCH   1  24
ATOM     24  C   LIG    1       -2.402  -0.258  -0.515  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -1.752  -0.972   0.646  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -1.301  -2.293   0.500  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -0.678  -2.953   1.560  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -0.515  -2.308   2.784  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -0.983  -1.006   2.951  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -1.603  -0.343   1.890  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 7