REMARK  Name = BDB004008
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.647   0.117   0.005  0.00  0.00    +0.095 C 
ATOM      2  C   LIG    1        1.865  -0.722   0.176  0.00  0.00    +0.118 C 
ATOM      3  C   LIG    1        2.837   0.145  -0.581  0.00  0.00    +0.317 C 
ATOM      4  O   LIG    1        2.267   1.463  -0.558  0.00  0.00    -0.378 OA
ATOM      5  N   LIG    1        0.875   1.334  -0.376  0.00  0.00    -0.088 NA
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -1.798  -0.105  -0.510  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1       -0.695  -0.429   0.290  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1       -0.866  -1.284   1.387  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.127  -1.810   1.677  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.219  -1.495   0.869  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -3.054  -0.651  -0.229  0.00  0.00    +0.046 A 
BRANCH   6  13
ATOM     12  C   LIG    1       -2.173   1.962  -1.449  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -1.647   0.648  -1.645  0.00  0.00    -0.494 OA
ENDBRANCH   6  13
ENDBRANCH   1   7
BRANCH   3  14
ATOM     14  C   LIG    1        4.192   0.188   0.099  0.00  0.00    +0.349 C 
ATOM     15  O   LIG    1        4.869  -0.805   0.329  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1        4.594   1.436   0.441  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1        3.905   2.098   0.205  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   3  14
TORSDOF 4