REMARK  Name = BDB051417
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.073  -0.464   0.422  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1       -0.423  -1.243  -0.540  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        0.910  -0.999  -0.878  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        1.617   0.036  -0.258  0.00  0.00    -0.030 A 
ATOM      5  C   LIG    1        0.964   0.810   0.712  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.371   0.563   1.049  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -2.373  -0.818   0.645  0.00  0.00    -0.477 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -3.164  -0.043   1.560  0.00  0.00    +0.285 C 
BRANCH   8  10
ATOM      9  O   LIG    1       -5.117  -0.586   2.911  0.00  0.00    -0.247 OA
ATOM     10  C   LIG    1       -4.307  -0.927   2.060  0.00  0.00    +0.346 C 
BRANCH  10  11
ATOM     11  O   LIG    1       -4.340  -2.150   1.475  0.00  0.00    -0.478 OA
ATOM     12  H   LIG    1       -3.624  -2.206   0.803  0.00  0.00    +0.295 HD
ENDBRANCH  10  11
ENDBRANCH   8  10
BRANCH   8  13
ATOM     13  C   LIG    1       -3.732   1.230   0.912  0.00  0.00    +0.091 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.549   0.982  -0.338  0.00  0.00    -0.043 A 
ATOM     15  C   LIG    1       -5.934   0.781  -0.256  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -6.682   0.532  -1.407  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -6.056   0.483  -2.651  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.680   0.684  -2.745  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -3.930   0.932  -1.595  0.00  0.00    +0.004 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  C   LIG    1        3.063   0.308  -0.605  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  N   LIG    1        3.904  -0.064   0.524  0.00  0.00    -0.340 N 
ATOM     22  H   LIG    1        3.591  -0.923   0.971  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        5.295  -0.028   0.389  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1        6.075  -0.719   1.329  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        7.472  -0.674   1.292  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        8.117   0.089   0.326  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        7.363   0.816  -0.591  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        5.965   0.768  -0.548  0.00  0.00    +0.023 A 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 9