REMARK  Name = BDB000841
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.173  -0.119   0.056  0.00  0.00    +0.025 A 
ATOM      2  C   LIG    1       -0.661   1.048  -0.517  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1        0.718   1.236  -0.639  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        1.589   0.274  -0.146  0.00  0.00    +0.117 A 
ATOM      5  C   LIG    1        1.103  -0.867   0.481  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -0.279  -1.049   0.598  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -2.548  -0.250   0.282  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1       -2.856  -1.210   0.394  0.00  0.00    +0.142 HD
ATOM      9  H   LIG    1       -3.121   0.265  -0.379  0.00  0.00    +0.142 HD
ENDBRANCH   1   7
BRANCH   4  10
ATOM     10  O   LIG    1        2.927   0.496  -0.282  0.00  0.00    -0.507 OA
ATOM     11  H   LIG    1        3.405  -0.246   0.121  0.00  0.00    +0.292 HD
ENDBRANCH   4  10
TORSDOF 2