REMARK  Name = BDB028821
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.063   0.328   0.066  0.00  0.00    -0.042 A 
ATOM      2  C   LIG    1       -1.245  -0.197  -0.953  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1        0.142   0.007  -0.969  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        0.751   0.746   0.039  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1       -0.043   1.273   1.057  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.428   1.069   1.072  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.335   0.722   1.232  0.00  0.00    +0.015 C 
ATOM      8  C   LIG    1       -3.582   0.082   0.044  0.00  0.00    -0.013 C 
ATOM      9  C   LIG    1       -4.185   0.670  -1.250  0.00  0.00    +0.015 C 
ATOM     10  C   LIG    1       -3.862  -1.436   0.091  0.00  0.00    +0.015 C 
ENDBRANCH   1   8
BRANCH   4  11
ATOM     11  O   LIG    1        2.082   1.021   0.160  0.00  0.00    -0.480 OA
BRANCH  11  12
ATOM     12  C   LIG    1        2.982   0.542  -0.838  0.00  0.00    +0.259 C 
ATOM     13  C   LIG    1        4.202   1.456  -0.771  0.00  0.00    +0.260 C 
ATOM     14  O   LIG    1        4.382   2.389  -1.552  0.00  0.00    -0.271 OA
ATOM     15  N   LIG    1        5.118   1.185   0.219  0.00  0.00    -0.253 N 
ATOM     16  H   LIG    1        5.917   1.803   0.256  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        5.241   0.019   0.929  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        6.230  -0.196   1.625  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        4.099  -0.963   0.825  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1        3.431  -0.888  -0.542  0.00  0.00    +0.063 C 
ENDBRANCH  11  12
ENDBRANCH   4  11
TORSDOF 3