REMARK  Name = BDB028027
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.708   0.784  -0.103  0.00  0.00    +0.101 A 
ATOM      2  C   LIG    1       -0.478   1.362   0.234  0.00  0.00    +0.136 A 
ATOM      3  C   LIG    1       -0.223   2.692  -0.113  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -1.162   3.425  -0.840  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -2.374   2.842  -1.204  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -2.651   1.526  -0.832  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -2.038  -0.605   0.277  0.00  0.00    +0.342 C 
ATOM      8  O   LIG    1       -1.308  -1.564   0.093  0.00  0.00    -0.245 OA
BRANCH   7  10
ATOM      9  C   LIG    1       -3.690  -1.921   1.269  0.00  0.00    +0.280 C 
ATOM     10  O   LIG    1       -3.271  -0.625   0.843  0.00  0.00    -0.464 OA
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   2  11
ATOM     11  O   LIG    1        0.456   0.726   1.011  0.00  0.00    -0.479 OA
BRANCH  11  12
ATOM     12  C   LIG    1        1.335  -0.104   0.248  0.00  0.00    +0.259 C 
ATOM     13  C   LIG    1        2.645   0.588  -0.169  0.00  0.00    +0.260 C 
ATOM     14  O   LIG    1        2.812   1.805  -0.205  0.00  0.00    -0.271 OA
ATOM     15  N   LIG    1        3.675  -0.254  -0.528  0.00  0.00    -0.253 N 
ATOM     16  H   LIG    1        4.533   0.207  -0.797  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        3.816  -1.572  -0.172  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        4.890  -2.150  -0.305  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        2.582  -2.263   0.354  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1        1.708  -1.295   1.131  0.00  0.00    +0.063 C 
ENDBRANCH  11  12
ENDBRANCH   2  11
TORSDOF 4