REMARK  Name = BDB062210
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.856  -0.172  -4.724  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        2.309  -0.215  -3.640  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        2.857   0.111  -2.300  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        4.107   0.561  -2.136  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        1.890  -0.115  -1.347  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.844  -0.523  -2.006  0.00  0.00    +0.190 C 
ATOM      7  N   LIG    1        1.038  -0.588  -3.348  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1        0.402  -0.938  -4.039  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        4.752   0.925  -0.864  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        4.492   0.244   0.336  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        5.174   0.634   1.471  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        5.037   0.084   2.708  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        5.976   0.878   3.462  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        6.655   1.873   2.670  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        6.098   1.651   1.450  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        6.393   2.335   0.292  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        5.715   1.961  -0.874  0.00  0.00    +0.012 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -0.363  -0.884  -1.443  0.00  0.00    -0.303 N 
ATOM     19  C   LIG    1       -1.626  -0.625  -2.142  0.00  0.00    +0.109 C 
ATOM     20  C   LIG    1       -2.720  -1.575  -1.672  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1       -2.903  -1.632  -0.146  0.00  0.00    +0.060 C 
ATOM     22  C   LIG    1       -1.535  -1.759   0.545  0.00  0.00    +0.038 C 
ATOM     23  C   LIG    1       -0.471  -0.804   0.024  0.00  0.00    +0.109 C 
BRANCH  21  24
ATOM     24  N   LIG    1       -3.843  -0.634   0.396  0.00  0.00    -0.299 NA
ATOM     25  C   LIG    1       -3.639   0.775   0.064  0.00  0.00    +0.084 C 
ATOM     26  C   LIG    1       -4.416   1.745   0.968  0.00  0.00    +0.015 C 
ATOM     27  C   LIG    1       -5.750   1.156   1.397  0.00  0.00    +0.002 C 
ATOM     28  C   LIG    1       -5.556  -0.188   2.102  0.00  0.00    +0.015 C 
ATOM     29  C   LIG    1       -4.204  -0.844   1.796  0.00  0.00    +0.084 C 
ENDBRANCH  21  24
ENDBRANCH   6  18
TORSDOF 3