REMARK  Name = BDB055173
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.408  -0.682   0.425  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -0.063   0.167  -0.623  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        1.284   0.402  -0.929  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        2.304  -0.211  -0.194  0.00  0.00    -0.045 A 
ATOM      5  C   LIG    1        1.957  -1.060   0.860  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        0.612  -1.292   1.161  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -1.662  -1.012   0.846  0.00  0.00    -0.475 OA
BRANCH   7   9
ATOM      8  C   LIG    1       -3.986  -0.904   1.198  0.00  0.00    +0.067 C 
ATOM      9  C   LIG    1       -2.843  -0.459   0.264  0.00  0.00    +0.200 C 
ATOM     10  C   LIG    1       -3.111  -1.093  -1.111  0.00  0.00    +0.067 C 
BRANCH   9  11
ATOM     11  C   LIG    1       -2.927   1.078   0.203  0.00  0.00    +0.348 C 
ATOM     12  O   LIG    1       -3.263   1.752  -0.760  0.00  0.00    -0.247 OA
BRANCH  11  13
ATOM     13  O   LIG    1       -2.586   1.686   1.359  0.00  0.00    -0.478 OA
ATOM     14  H   LIG    1       -2.659   2.643   1.165  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   4  15
ATOM     15  C   LIG    1        3.751   0.062  -0.513  0.00  0.00    +0.063 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.297   1.245   0.280  0.00  0.00    +0.160 C 
BRANCH  16  17
ATOM     17  O   LIG    1        5.661   1.457  -0.068  0.00  0.00    -0.395 OA
ATOM     18  H   LIG    1        5.974   2.212   0.460  0.00  0.00    +0.209 HD
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 7