REMARK  Name = BDB062849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.630   1.216   0.098  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        1.767   1.972   0.393  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        3.023   1.593  -0.087  0.00  0.00    +0.008 A 
ATOM      4  C   LIG    1        3.162   0.447  -0.878  0.00  0.00    -0.034 A 
ATOM      5  C   LIG    1        2.022  -0.318  -1.160  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        0.764   0.065  -0.677  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -0.527   1.702   0.637  0.00  0.00    -0.491 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -1.766   1.078   0.284  0.00  0.00    +0.244 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -2.091  -0.078   1.247  0.00  0.00    +0.124 C 
BRANCH   9  11
ATOM     10  C   LIG    1       -3.379  -1.518  -0.245  0.00  0.00    +0.104 C 
ATOM     11  N   LIG    1       -3.349  -0.812   1.032  0.00  0.00    -0.305 NA
ATOM     12  C   LIG    1       -4.528   0.034   1.193  0.00  0.00    +0.104 C 
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  13
ATOM     13  C   LIG    1        4.517   0.017  -1.375  0.00  0.00    +0.113 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.177  -0.862  -0.418  0.00  0.00    -0.326 NA
ATOM     15  H   LIG    1        5.251  -0.374   0.475  0.00  0.00    +0.119 HD
ATOM     16  H   LIG    1        4.572  -1.662  -0.238  0.00  0.00    +0.119 HD
ENDBRANCH  13  14
ENDBRANCH   4  13
TORSDOF 6