REMARK  Name = BDB000568
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.051  -0.621   0.345  0.00  0.00    +0.196 C 
ATOM      2  O   LIG    1        1.405  -1.741   0.717  0.00  0.00    -0.289 OA
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -3.240  -0.030  -0.210  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1       -2.337   1.047  -0.269  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -0.953   0.886  -0.087  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -0.415  -0.376   0.152  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -1.286  -1.466   0.205  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -2.666  -1.292   0.020  0.00  0.00    +0.024 A 
BRANCH   3  10
ATOM      9  C   LIG    1       -5.522  -0.962  -0.098  0.00  0.00    +0.129 C 
ATOM     10  N   LIG    1       -4.614   0.140  -0.413  0.00  0.00    -0.336 N 
ATOM     11  C   LIG    1       -5.186   1.481  -0.291  0.00  0.00    +0.129 C 
ENDBRANCH   3  10
ENDBRANCH   1   6
BRANCH   1  12
ATOM     12  C   LIG    1        2.033   0.534   0.056  0.00  0.00    +0.215 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.501   0.139  -0.011  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1        4.286   0.567  -1.095  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        5.645   0.254  -1.163  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        6.243  -0.484  -0.145  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.484  -0.906   0.943  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.125  -0.592   1.014  0.00  0.00    +0.006 A 
ENDBRANCH  12  13
BRANCH  12  19
ATOM     19  O   LIG    1        1.895   1.584   1.012  0.00  0.00    -0.379 OA
ATOM     20  H   LIG    1        2.501   1.382   1.746  0.00  0.00    +0.211 HD
ENDBRANCH  12  19
ENDBRANCH   1  12
TORSDOF 5