REMARK  Name = BDB061247
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.945  -1.392  -2.059  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -2.161  -1.319  -1.348  0.00  0.00    +0.151 A 
ATOM      3  C   LIG    1       -2.977  -2.445  -1.209  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1       -4.227  -2.321  -0.448  0.00  0.00    +0.197 A 
ATOM      5  C   LIG    1       -4.535  -1.009   0.132  0.00  0.00    +0.098 A 
ATOM      6  C   LIG    1       -3.679   0.001  -0.069  0.00  0.00    +0.139 A 
ATOM      7  O   LIG    1       -4.978  -3.279  -0.300  0.00  0.00    -0.287 OA
ATOM      8  C   LIG    1       -2.602  -3.659  -1.788  0.00  0.00    +0.135 A 
ATOM      9  C   LIG    1       -1.420  -3.750  -2.513  0.00  0.00    +0.092 A 
ATOM     10  O   LIG    1       -2.518  -0.101  -0.815  0.00  0.00    -0.454 OA
ATOM     11  C   LIG    1       -0.608  -2.623  -2.650  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -3.920   1.349   0.483  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1       -4.380   1.534   1.798  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -4.586   2.819   2.311  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -4.327   3.925   1.510  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1       -3.863   3.767   0.210  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -3.656   2.483  -0.300  0.00  0.00    +0.015 A 
BRANCH  15  18
ATOM     18  O   LIG    1       -4.513   5.195   1.968  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1       -4.814   5.154   2.890  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   6  12
BRANCH   8  20
ATOM     20  O   LIG    1       -3.352  -4.799  -1.691  0.00  0.00    -0.506 OA
ATOM     21  H   LIG    1       -4.158  -4.595  -1.164  0.00  0.00    +0.292 HD
ENDBRANCH   8  20
BRANCH  11  22
ATOM     22  O   LIG    1        0.537  -2.717  -3.393  0.00  0.00    -0.506 OA
ATOM     23  H   LIG    1        0.595  -3.608  -3.777  0.00  0.00    +0.292 HD
ENDBRANCH  11  22
BRANCH   1  24
ATOM     24  C   LIG    1       -0.052  -0.173  -2.210  0.00  0.00    +0.127 C 
BRANCH  24  29
ATOM     25  C   LIG    1        3.987   0.298   1.772  0.00  0.00    +0.218 C 
ATOM     26  N   LIG    1        3.029  -0.004   0.813  0.00  0.00    -0.299 N 
ATOM     27  C   LIG    1        3.343  -0.521  -0.524  0.00  0.00    +0.123 C 
ATOM     28  C   LIG    1        2.107  -0.994  -1.319  0.00  0.00    +0.103 C 
ATOM     29  N   LIG    1        1.034  -0.007  -1.241  0.00  0.00    -0.295 NA
ATOM     30  C   LIG    1        0.631   0.302   0.136  0.00  0.00    +0.103 C 
ATOM     31  C   LIG    1        1.635  -0.131   1.229  0.00  0.00    +0.123 C 
ATOM     32  O   LIG    1        3.690   0.441   2.960  0.00  0.00    -0.275 OA
BRANCH  25  34
ATOM     33  C   LIG    1        6.413   0.352   2.448  0.00  0.00    +0.017 C 
ATOM     34  C   LIG    1        5.425   0.517   1.292  0.00  0.00    +0.069 C 
ATOM     35  C   LIG    1        5.559   1.915   0.689  0.00  0.00    +0.017 C 
ENDBRANCH  25  34
ENDBRANCH  24  29
ENDBRANCH   1  24
TORSDOF 7