REMARK  Name = BDB062220
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.750   3.386  -1.917  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.623   2.208  -1.652  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        2.627   1.256  -1.104  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        3.865   1.648  -0.778  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        2.060   0.004  -0.996  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.831   0.159  -1.399  0.00  0.00    +0.192 C 
ATOM      7  N   LIG    1        0.528   1.421  -1.793  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -0.335   1.727  -2.205  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        4.934   0.806  -0.218  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        5.829   1.386   0.696  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        6.853   0.607   1.194  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        7.795   1.010   2.089  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        8.572  -0.197   2.228  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        8.088  -1.288   1.417  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        7.021  -0.702   0.812  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        6.176  -1.304  -0.093  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        5.128  -0.536  -0.615  0.00  0.00    +0.012 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -0.063  -0.863  -1.473  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1        0.341  -1.765  -1.243  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.460  -0.827  -1.312  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -2.212  -1.906  -1.805  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -3.606  -1.916  -1.714  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1       -4.270  -0.850  -1.113  0.00  0.00    +0.129 A 
ATOM     24  C   LIG    1       -3.543   0.242  -0.638  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1       -2.147   0.248  -0.735  0.00  0.00    +0.027 A 
BRANCH  23  26
ATOM     26  O   LIG    1       -5.644  -0.906  -1.085  0.00  0.00    -0.456 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -6.269  -0.531   0.082  0.00  0.00    +0.128 A 
ATOM     28  C   LIG    1       -7.354   0.339  -0.028  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1       -8.049   0.731   1.116  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -7.668   0.240   2.366  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.597  -0.648   2.472  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -5.900  -1.042   1.329  0.00  0.00    +0.046 A 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 5