REMARK  Name = BDB014252
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.014  -0.549  -0.232  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1       -2.776   0.057  -0.467  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -2.607   0.954  -1.514  0.00  0.00    +0.089 A 
ATOM      4  C   LIG    1       -1.262   1.388  -1.491  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -0.629   0.752  -0.438  0.00  0.00    +0.019 A 
ATOM      6  N   LIG    1       -3.605   1.298  -2.362  0.00  0.00    -0.253 NA
ATOM      7  C   LIG    1       -4.792   0.703  -2.118  0.00  0.00    +0.112 A 
ATOM      8  N   LIG    1       -1.564  -0.049   0.176  0.00  0.00    -0.356 N 
ATOM      9  H   LIG    1       -1.407  -0.640   0.986  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1       -5.050  -0.202  -1.099  0.00  0.00    +0.037 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1       -3.289  -1.829   1.658  0.00  0.00    -0.245 OA
ATOM     12  C   LIG    1       -4.171  -1.499   0.885  0.00  0.00    +0.339 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -5.418  -1.988   0.978  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1       -5.385  -2.595   1.748  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   5  15
ATOM     15  C   LIG    1        0.782   0.833   0.045  0.00  0.00    +0.058 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.681  -0.179  -0.671  0.00  0.00    +0.041 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.103  -0.113  -0.173  0.00  0.00    -0.047 A 
ATOM     18  C   LIG    1        4.014   0.786  -0.745  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        5.324   0.862  -0.271  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.735   0.043   0.780  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.836  -0.851   1.358  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        3.525  -0.928   0.886  0.00  0.00    +0.003 A 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   5  15
TORSDOF 5