REMARK  Name = BDB028020
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.148   0.132   0.181  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        0.889   0.499   1.046  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1        2.234   0.336   0.681  0.00  0.00    -0.033 A 
ATOM      4  C   LIG    1        3.324   0.752   1.632  0.00  0.00    +0.036 C 
ATOM      5  C   LIG    1        4.605  -0.031   1.375  0.00  0.00    +0.012 C 
ATOM      6  C   LIG    1        5.036   0.100  -0.077  0.00  0.00    +0.080 C 
ATOM      7  C   LIG    1        3.943  -0.328  -1.031  0.00  0.00    +0.163 C 
ATOM      8  O   LIG    1        4.198  -0.741  -2.160  0.00  0.00    -0.292 OA
ATOM      9  C   LIG    1        2.531  -0.175  -0.589  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1        1.497  -0.535  -1.462  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        0.161  -0.382  -1.077  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  12
ATOM     12  O   LIG    1       -1.400   0.352   0.678  0.00  0.00    -0.480 OA
BRANCH  12  19
ATOM     13  O   LIG    1       -6.577  -0.311  -0.775  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -5.371  -0.290  -0.552  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1       -4.866  -0.687   0.660  0.00  0.00    -0.253 N 
ATOM     16  H   LIG    1       -5.550  -0.924   1.366  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -3.562  -0.608   1.098  0.00  0.00    +0.260 C 
ATOM     18  O   LIG    1       -3.297  -0.845   2.274  0.00  0.00    -0.271 OA
ATOM     19  C   LIG    1       -2.515  -0.257   0.033  0.00  0.00    +0.259 C 
ATOM     20  C   LIG    1       -3.129   0.727  -0.960  0.00  0.00    +0.063 C 
ATOM     21  C   LIG    1       -4.363   0.116  -1.599  0.00  0.00    +0.100 C 
ENDBRANCH  12  19
ENDBRANCH   1  12
TORSDOF 2