REMARK  Name = BDB063017
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.558   1.066  -1.441  0.00  0.00    +0.328 C 
ATOM      2  N   LIG    1        0.273   0.033  -1.066  0.00  0.00    -0.238 N 
ATOM      3  H   LIG    1        0.957  -0.232  -1.766  0.00  0.00    +0.159 HD
ATOM      4  C   LIG    1        0.455  -0.466   0.208  0.00  0.00    +0.328 C 
ATOM      5  O   LIG    1       -0.222  -0.220   1.192  0.00  0.00    -0.263 OA
ATOM      6  O   LIG    1       -0.472   1.605  -2.538  0.00  0.00    -0.263 OA
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -1.503   2.580   0.220  0.00  0.00    -0.240 OA
ATOM      8  C   LIG    1       -1.595   1.551  -0.418  0.00  0.00    +0.393 C 
BRANCH   8   9
ATOM      9  O   LIG    1       -2.629   0.705  -0.323  0.00  0.00    -0.474 OA
ATOM     10  H   LIG    1       -3.183   1.089   0.388  0.00  0.00    +0.296 HD
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   4  11
ATOM     11  C   LIG    1        1.651  -1.445   0.267  0.00  0.00    +0.393 C 
ATOM     12  O   LIG    1        2.344  -1.678  -0.708  0.00  0.00    -0.240 OA
BRANCH  11  13
ATOM     13  O   LIG    1        1.853  -2.001   1.461  0.00  0.00    -0.474 OA
ATOM     14  H   LIG    1        2.630  -2.587   1.360  0.00  0.00    +0.296 HD
ENDBRANCH  11  13
ENDBRANCH   4  11
TORSDOF 4