7WR
Bonds
First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
O08 | C07 | sing | 1.36Å | 1.40Å | |
C07 | C06 | doub | 1.38Å | 1.41Å | Aromatic |
C07 | C09 | sing | 1.39Å | 1.37Å | Aromatic |
C06 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
O12 | C11 | doub | 1.22Å | 1.26Å | |
O10 | C09 | sing | 1.36Å | 1.39Å | |
C09 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
C05 | C11 | sing | 1.47Å | 1.53Å | |
C05 | C04 | doub | 1.40Å | 1.40Å | Aromatic |
C11 | O13 | sing | 1.35Å | 1.27Å | |
C03 | C04 | sing | 1.38Å | 1.38Å | Aromatic |
C03 | O02 | sing | 1.36Å | 1.41Å | |
C01 | O02 | sing | 1.43Å | 1.41Å | |
C01 | H1 | sing | 1.09Å | 1.10Å | |
C01 | H2 | sing | 1.09Å | 1.10Å | |
C01 | H3 | sing | 1.09Å | 1.10Å | |
C04 | H4 | sing | 1.08Å | 1.08Å | |
C06 | H5 | sing | 1.08Å | 1.08Å | |
O08 | H6 | sing | 0.97Å | 0.95Å | |
O10 | H7 | sing | 0.97Å | 0.95Å | |
O13 | H8 | sing | 0.97Å | 0.95Å |
Angles
First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
O08 | C07 | C06 | 123.1° | 120.0° |
O08 | C07 | C09 | 115.6° | 119.9° |
C07 | O08 | H6 | 109.5° | 114.0° |
C06 | C07 | C09 | 121.4° | 120.1° |
C07 | C06 | C05 | 117.5° | 119.9° |
C07 | C06 | H5 | 121.2° | 120.0° |
C07 | C09 | O10 | 117.6° | 120.0° |
C07 | C09 | C03 | 120.9° | 120.1° |
C06 | C05 | C11 | 123.1° | 120.1° |
C06 | C05 | C04 | 120.6° | 119.9° |
C05 | C06 | H5 | 121.3° | 120.1° |
O12 | C11 | C05 | 120.7° | 120.0° |
O12 | C11 | O13 | 121.4° | 120.0° |
O10 | C09 | C03 | 121.5° | 120.0° |
C09 | O10 | H7 | 109.5° | 114.0° |
C09 | C03 | C04 | 118.4° | 120.1° |
C09 | C03 | O02 | 121.5° | 119.9° |
C11 | C05 | C04 | 116.3° | 120.1° |
C05 | C11 | O13 | 117.9° | 120.0° |
C05 | C04 | C03 | 121.2° | 119.9° |
C05 | C04 | H4 | 119.4° | 120.0° |
C11 | O13 | H8 | 109.5° | 117.0° |
C04 | C03 | O02 | 120.1° | 120.0° |
C03 | C04 | H4 | 119.4° | 120.0° |
C03 | O02 | C01 | 116.0° | 117.0° |
O02 | C01 | H1 | 109.5° | 109.5° |
O02 | C01 | H2 | 109.4° | 109.5° |
O02 | C01 | H3 | 109.4° | 109.5° |
H1 | C01 | H2 | 109.5° | 109.4° |
H1 | C01 | H3 | 109.5° | 109.5° |
H2 | C01 | H3 | 109.5° | 109.5° |
Dihedrals
First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
O08 | C07 | C06 | C09 | 179.9° | 179.8° |
O08 | C07 | C06 | C05 | 179.6° | 179.9° |
O08 | C07 | C09 | O10 | 0.5° | 0.1° |
O08 | C07 | C09 | C03 | 179.5° | 179.7° |
O08 | C07 | C06 | H5 | 0.4° | 0.0° |
C07 | C06 | C05 | H5 | 180.0° | 180.0° |
C06 | C07 | C09 | O10 | 179.5° | 180.0° |
C06 | C07 | C09 | C03 | 0.5° | 0.5° |
C07 | C06 | C05 | C11 | 179.6° | 180.0° |
C07 | C06 | C05 | C04 | 1.3° | 0.0° |
C06 | C07 | O08 | H6 | 180.0° | 90.0° |
C09 | C07 | C06 | C05 | 0.4° | 0.2° |
C07 | C09 | O10 | C03 | 179.0° | 179.6° |
C07 | C09 | C03 | C04 | 0.5° | 0.5° |
C07 | C09 | C03 | O02 | 179.6° | 179.8° |
C09 | C07 | C06 | H5 | 179.6° | 179.8° |
C09 | C07 | O08 | H6 | 0.1° | 89.8° |
C07 | C09 | O10 | H7 | 180.0° | 90.0° |
C06 | C05 | C11 | O12 | 7.5° | 180.0° |
C06 | C05 | C11 | C04 | 178.4° | 180.0° |
C06 | C05 | C11 | O13 | 172.7° | 0.0° |
C06 | C05 | C04 | C03 | 1.4° | 0.0° |
C06 | C05 | C04 | H4 | 178.6° | 180.0° |
O12 | C11 | C05 | O13 | 179.8° | 180.0° |
O12 | C11 | C05 | C04 | 174.2° | 0.0° |
O12 | C11 | O13 | H8 | 0.0° | 0.0° |
O10 | C09 | C03 | C04 | 179.4° | 180.0° |
O10 | C09 | C03 | O02 | 1.5° | 0.2° |
C09 | C03 | C04 | C05 | 0.5° | 0.2° |
C09 | C03 | C04 | O02 | 179.1° | 179.8° |
C09 | C03 | O02 | C01 | 66.4° | 179.8° |
C09 | C03 | C04 | H4 | 179.5° | 179.8° |
C03 | C09 | O10 | H7 | 1.0° | 90.5° |
C11 | C05 | C04 | C03 | 179.8° | 180.0° |
C11 | C05 | C04 | H4 | 0.2° | 0.0° |
C11 | C05 | C06 | H5 | 0.4° | 0.0° |
C05 | C11 | O13 | H8 | 179.8° | 180.0° |
C04 | C05 | C11 | O13 | 5.6° | 180.0° |
C05 | C04 | C03 | H4 | 180.0° | 180.0° |
C05 | C04 | C03 | O02 | 178.6° | 180.0° |
C04 | C05 | C06 | H5 | 178.7° | 180.0° |
C04 | C03 | O02 | C01 | 114.5° | 0.0° |
C03 | O02 | C01 | H1 | 180.0° | 179.9° |
C03 | O02 | C01 | H2 | 60.0° | 60.0° |
C03 | O02 | C01 | H3 | 60.0° | 60.0° |
O02 | C03 | C04 | H4 | 1.3° | 0.0° |
O02 | C01 | H1 | H2 | 120.0° | 120.0° |
O02 | C01 | H1 | H3 | 120.0° | 120.1° |
O02 | C01 | H2 | H3 | 120.0° | 120.0° |
H1 | C01 | H2 | H3 | 120.1° | 119.9° |