KE5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OHB | CZB | sing | 1.36Å | 1.31Å | |
| CE4 | CZB | doub | 1.39Å | 1.39Å | Aromatic |
| CE4 | CD4 | sing | 1.38Å | 1.41Å | Aromatic |
| CZB | CE3 | sing | 1.39Å | 1.37Å | Aromatic |
| CD4 | CGB | doub | 1.38Å | 1.39Å | Aromatic |
| CE3 | CD3 | doub | 1.38Å | 1.37Å | Aromatic |
| OA | CA | doub | 1.21Å | 1.20Å | |
| CGB | CD3 | sing | 1.38Å | 1.37Å | Aromatic |
| CGB | CBB | sing | 1.51Å | 1.49Å | |
| CBA | CGA | sing | 1.51Å | 1.52Å | |
| CBA | CAA | sing | 1.53Å | 1.54Å | |
| CD1 | CGA | doub | 1.38Å | 1.35Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.36Å | Aromatic |
| CGA | CD2 | sing | 1.38Å | 1.37Å | Aromatic |
| CE1 | CZA | doub | 1.39Å | 1.37Å | Aromatic |
| CD2 | CAX | sing | 1.51Å | 1.56Å | |
| CD2 | CE2 | doub | 1.38Å | 1.38Å | Aromatic |
| CA | NB | sing | 1.34Å | 1.28Å | |
| CA | CAA | sing | 1.50Å | 1.51Å | |
| CZA | CE2 | sing | 1.39Å | 1.39Å | Aromatic |
| CZA | OHA | sing | 1.36Å | 1.32Å | |
| NB | CAB | sing | 1.46Å | 1.42Å | |
| CBB | CAB | sing | 1.53Å | 1.51Å | |
| CAA | NA | sing | 1.46Å | 1.45Å | |
| CAB | CB | sing | 1.50Å | 1.47Å | |
| NA | CB | sing | 1.34Å | 1.32Å | |
| CB | OB | doub | 1.21Å | 1.19Å | |
| CAB | H1 | sing | 1.09Å | 1.10Å | |
| CAX | H2 | sing | 1.09Å | 1.10Å | |
| CAX | H3 | sing | 1.09Å | 1.10Å | |
| CAX | H4 | sing | 1.09Å | 1.10Å | |
| NB | H5 | sing | 0.97Å | 1.00Å | |
| CD1 | H6 | sing | 1.08Å | 1.08Å | |
| CD3 | H7 | sing | 1.08Å | 1.08Å | |
| CE1 | H8 | sing | 1.08Å | 1.08Å | |
| CE2 | H9 | sing | 1.08Å | 1.08Å | |
| CE3 | H10 | sing | 1.08Å | 1.08Å | |
| CAA | H11 | sing | 1.09Å | 1.10Å | |
| CBA | H12 | sing | 1.09Å | 1.10Å | |
| CBA | H13 | sing | 1.09Å | 1.10Å | |
| CBB | H14 | sing | 1.09Å | 1.10Å | |
| CBB | H15 | sing | 1.09Å | 1.10Å | |
| CD4 | H16 | sing | 1.08Å | 1.08Å | |
| CE4 | H17 | sing | 1.08Å | 1.08Å | |
| NA | H18 | sing | 0.97Å | 1.00Å | |
| OHA | H19 | sing | 0.97Å | 0.95Å | |
| OHB | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OHB | CZB | CE4 | 124.4° | 120.1° |
| OHB | CZB | CE3 | 114.6° | 120.0° |
| CZB | OHB | H20 | 109.5° | 114.0° |
| CZB | CE4 | CD4 | 118.9° | 120.0° |
| CE4 | CZB | CE3 | 120.9° | 119.9° |
| CZB | CE4 | H17 | 120.6° | 120.0° |
| CE4 | CD4 | CGB | 118.7° | 120.0° |
| CE4 | CD4 | H16 | 120.7° | 120.0° |
| CD4 | CE4 | H17 | 120.5° | 120.0° |
| CZB | CE3 | CD3 | 119.9° | 119.9° |
| CZB | CE3 | H10 | 120.1° | 120.0° |
| CD4 | CGB | CD3 | 121.0° | 120.1° |
| CD4 | CGB | CBB | 125.5° | 119.9° |
| CGB | CD4 | H16 | 120.7° | 120.0° |
| CE3 | CD3 | CGB | 120.5° | 120.1° |
| CE3 | CD3 | H7 | 119.7° | 119.9° |
| CD3 | CE3 | H10 | 120.0° | 120.1° |
| OA | CA | NB | 117.9° | 118.6° |
| OA | CA | CAA | 121.7° | 118.7° |
| CD3 | CGB | CBB | 113.4° | 120.0° |
| CGB | CD3 | H7 | 119.7° | 120.0° |
| CGB | CBB | CAB | 109.7° | 109.5° |
| CGB | CBB | H14 | 109.4° | 109.5° |
| CGB | CBB | H15 | 109.4° | 109.4° |
| CGA | CBA | CAA | 118.5° | 109.5° |
| CBA | CGA | CD1 | 114.7° | 119.9° |
| CBA | CGA | CD2 | 124.3° | 119.9° |
| CGA | CBA | H12 | 107.2° | 109.5° |
| CGA | CBA | H13 | 107.2° | 109.5° |
| CBA | CAA | CA | 108.4° | 109.1° |
| CBA | CAA | NA | 112.9° | 109.1° |
| CBA | CAA | H11 | 107.2° | 109.1° |
| CAA | CBA | H12 | 107.2° | 109.5° |
| CAA | CBA | H13 | 107.2° | 109.5° |
| CGA | CD1 | CE1 | 119.7° | 120.0° |
| CD1 | CGA | CD2 | 120.9° | 120.2° |
| CGA | CD1 | H6 | 120.1° | 120.0° |
| CD1 | CE1 | CZA | 119.6° | 119.9° |
| CE1 | CD1 | H6 | 120.1° | 119.9° |
| CD1 | CE1 | H8 | 120.2° | 120.0° |
| CGA | CD2 | CAX | 118.3° | 120.0° |
| CGA | CD2 | CE2 | 120.7° | 120.0° |
| CE1 | CZA | CE2 | 121.7° | 119.9° |
| CE1 | CZA | OHA | 116.9° | 120.0° |
| CZA | CE1 | H8 | 120.2° | 120.0° |
| CAX | CD2 | CE2 | 120.9° | 120.0° |
| CD2 | CAX | H2 | 109.5° | 109.4° |
| CD2 | CAX | H3 | 109.5° | 109.4° |
| CD2 | CAX | H4 | 109.4° | 109.5° |
| CD2 | CE2 | CZA | 117.1° | 120.0° |
| CD2 | CE2 | H9 | 121.4° | 120.0° |
| NB | CA | CAA | 120.4° | 122.7° |
| CA | NB | CAB | 126.0° | 122.8° |
| CA | NB | H5 | 117.0° | 118.6° |
| CA | CAA | NA | 112.1° | 111.3° |
| CA | CAA | H11 | 107.6° | 109.1° |
| CE2 | CZA | OHA | 121.3° | 120.1° |
| CZA | CE2 | H9 | 121.4° | 120.0° |
| CZA | OHA | H19 | 109.5° | 114.0° |
| NB | CAB | CBB | 105.7° | 109.0° |
| NB | CAB | CB | 115.0° | 111.3° |
| NB | CAB | H1 | 109.6° | 109.1° |
| CAB | NB | H5 | 117.0° | 118.6° |
| CBB | CAB | CB | 109.0° | 109.1° |
| CBB | CAB | H1 | 108.4° | 109.1° |
| CAB | CBB | H14 | 109.4° | 109.5° |
| CAB | CBB | H15 | 109.4° | 109.5° |
| CAA | NA | CB | 124.7° | 122.8° |
| NA | CAA | H11 | 108.3° | 109.1° |
| CAA | NA | H18 | 117.7° | 118.7° |
| CAB | CB | NA | 118.6° | 122.7° |
| CAB | CB | OB | 117.9° | 118.6° |
| CB | CAB | H1 | 108.9° | 109.1° |
| NA | CB | OB | 123.5° | 118.6° |
| CB | NA | H18 | 117.6° | 118.5° |
| H2 | CAX | H3 | 109.4° | 109.4° |
| H2 | CAX | H4 | 109.5° | 109.5° |
| H3 | CAX | H4 | 109.5° | 109.5° |
| H12 | CBA | H13 | 109.4° | 109.4° |
| H14 | CBB | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OHB | CZB | CE4 | CE3 | 177.9° | 179.7° |
| OHB | CZB | CE4 | CD4 | 180.0° | 180.0° |
| OHB | CZB | CE3 | CD3 | 179.1° | 179.7° |
| OHB | CZB | CE3 | H10 | 0.9° | 0.3° |
| OHB | CZB | CE4 | H17 | 0.0° | 0.3° |
| CZB | CE4 | CD4 | H17 | 180.0° | 179.7° |
| CZB | CE4 | CD4 | CGB | 1.4° | 0.3° |
| CE4 | CZB | CE3 | CD3 | 1.0° | 0.1° |
| CE4 | CZB | CE3 | H10 | 179.1° | 180.0° |
| CZB | CE4 | CD4 | H16 | 178.6° | 179.8° |
| CE4 | CZB | OHB | H20 | 180.0° | 89.9° |
| CD4 | CE4 | CZB | CE3 | 2.1° | 0.3° |
| CE4 | CD4 | CGB | H16 | 180.0° | 180.0° |
| CE4 | CD4 | CGB | CD3 | 0.4° | 0.0° |
| CE4 | CD4 | CGB | CBB | 178.4° | 180.0° |
| CZB | CE3 | CD3 | H10 | 180.0° | 179.9° |
| CZB | CE3 | CD3 | CGB | 0.8° | 0.2° |
| CZB | CE3 | CD3 | H7 | 179.2° | 180.0° |
| CE3 | CZB | CE4 | H17 | 177.9° | 180.0° |
| CE3 | CZB | OHB | H20 | 2.0° | 89.7° |
| CD4 | CGB | CD3 | CE3 | 1.5° | 0.2° |
| CD4 | CGB | CD3 | CBB | 178.3° | 180.0° |
| CD4 | CGB | CBB | CAB | 87.7° | 90.0° |
| CD4 | CGB | CD3 | H7 | 178.5° | 180.0° |
| CD4 | CGB | CBB | H14 | 32.3° | 30.0° |
| CD4 | CGB | CBB | H15 | 152.3° | 150.0° |
| CGB | CD4 | CE4 | H17 | 178.6° | 180.0° |
| CE3 | CD3 | CGB | H7 | 180.0° | 179.8° |
| CE3 | CD3 | CGB | CBB | 179.8° | 179.8° |
| OA | CA | CAA | CBA | 53.4° | 79.2° |
| OA | CA | NB | CAA | 179.2° | 180.0° |
| OA | CA | NB | CAB | 172.3° | 179.9° |
| OA | CA | CAA | NA | 178.7° | 160.3° |
| OA | CA | NB | H5 | 7.7° | 0.0° |
| OA | CA | CAA | H11 | 62.3° | 39.8° |
| CD3 | CGB | CBB | CAB | 94.1° | 90.0° |
| CGB | CD3 | CE3 | H10 | 179.1° | 179.7° |
| CD3 | CGB | CBB | H14 | 145.9° | 150.0° |
| CD3 | CGB | CBB | H15 | 25.9° | 30.0° |
| CD3 | CGB | CD4 | H16 | 179.7° | 180.0° |
| CGB | CBB | CAB | NB | 56.6° | 63.2° |
| CGB | CBB | CAB | H14 | 120.0° | 120.0° |
| CGB | CBB | CAB | H15 | 120.0° | 119.9° |
| CGB | CBB | CAB | CB | 67.6° | 175.0° |
| CGB | CBB | CAB | H1 | 174.0° | 55.8° |
| CBB | CGB | CD3 | H7 | 0.2° | 0.0° |
| CGB | CBB | H14 | H15 | 119.9° | 119.9° |
| CBB | CGB | CD4 | H16 | 1.6° | 0.1° |
| CGA | CBA | CAA | H12 | 121.3° | 120.1° |
| CGA | CBA | CAA | H13 | 121.3° | 120.1° |
| CBA | CGA | CD1 | CD2 | 176.6° | 179.9° |
| CBA | CGA | CD1 | CE1 | 179.9° | 180.0° |
| CBA | CGA | CD2 | CAX | 2.6° | 0.0° |
| CBA | CGA | CD2 | CE2 | 178.4° | 180.0° |
| CGA | CBA | CAA | CA | 175.6° | 175.0° |
| CGA | CBA | CAA | NA | 50.8° | 63.2° |
| CBA | CGA | CD1 | H6 | 0.1° | 0.2° |
| CGA | CBA | CAA | H11 | 68.5° | 55.9° |
| CGA | CBA | H12 | H13 | 115.9° | 119.9° |
| CAA | CBA | CGA | CD1 | 95.4° | 94.9° |
| CAA | CBA | CGA | CD2 | 88.1° | 85.0° |
| CBA | CAA | CA | NB | 125.8° | 100.8° |
| CBA | CAA | CA | NA | 125.3° | 120.5° |
| CBA | CAA | CA | H11 | 115.7° | 119.1° |
| CBA | CAA | NA | H11 | 118.6° | 119.0° |
| CBA | CAA | NA | CB | 139.0° | 101.0° |
| CAA | CBA | H12 | H13 | 115.9° | 120.0° |
| CBA | CAA | NA | H18 | 41.0° | 78.9° |
| CGA | CD1 | CE1 | H6 | 180.0° | 179.8° |
| CGA | CD1 | CE1 | CZA | 3.5° | 0.0° |
| CD1 | CGA | CD2 | CAX | 178.9° | 179.9° |
| CD1 | CGA | CD2 | CE2 | 2.1° | 0.1° |
| CGA | CD1 | CE1 | H8 | 176.5° | 179.9° |
| CD1 | CGA | CBA | H12 | 143.3° | 145.0° |
| CD1 | CGA | CBA | H13 | 25.9° | 25.1° |
| CE1 | CD1 | CGA | CD2 | 3.5° | 0.1° |
| CD1 | CE1 | CZA | H8 | 180.0° | 179.9° |
| CD1 | CE1 | CZA | CE2 | 2.2° | 0.0° |
| CD1 | CE1 | CZA | OHA | 179.9° | 180.0° |
| CGA | CD2 | CAX | CE2 | 179.0° | 180.0° |
| CGA | CD2 | CE2 | CZA | 0.8° | 0.0° |
| CGA | CD2 | CAX | H2 | 89.5° | 90.0° |
| CGA | CD2 | CAX | H3 | 150.5° | 29.9° |
| CGA | CD2 | CAX | H4 | 30.5° | 150.0° |
| CD2 | CGA | CD1 | H6 | 176.5° | 179.7° |
| CGA | CD2 | CE2 | H9 | 179.2° | 180.0° |
| CD2 | CGA | CBA | H12 | 33.2° | 35.1° |
| CD2 | CGA | CBA | H13 | 150.6° | 155.0° |
| CE1 | CZA | CE2 | CD2 | 0.8° | 0.0° |
| CE1 | CZA | CE2 | OHA | 177.5° | 180.0° |
| CZA | CE1 | CD1 | H6 | 176.5° | 179.8° |
| CE1 | CZA | CE2 | H9 | 179.1° | 180.0° |
| CE1 | CZA | OHA | H19 | 180.0° | 90.0° |
| CAX | CD2 | CE2 | CZA | 179.8° | 180.0° |
| CD2 | CAX | H2 | H3 | 120.0° | 119.9° |
| CD2 | CAX | H2 | H4 | 120.0° | 120.0° |
| CD2 | CAX | H3 | H4 | 120.0° | 120.0° |
| CAX | CD2 | CE2 | H9 | 0.2° | 0.0° |
| CD2 | CE2 | CZA | H9 | 180.0° | 180.0° |
| CD2 | CE2 | CZA | OHA | 178.4° | 180.0° |
| CE2 | CD2 | CAX | H2 | 89.5° | 90.1° |
| CE2 | CD2 | CAX | H3 | 30.5° | 150.0° |
| CE2 | CD2 | CAX | H4 | 150.5° | 30.0° |
| CA | NB | CAB | H5 | 180.0° | 180.0° |
| CA | NB | CAB | CBB | 123.6° | 101.0° |
| NB | CA | CAA | NA | 0.5° | 19.7° |
| CA | NB | CAB | CB | 3.3° | 19.5° |
| CA | NB | CAB | H1 | 119.8° | 140.0° |
| NB | CA | CAA | H11 | 118.6° | 140.1° |
| CAA | CA | NB | CAB | 8.5° | 0.1° |
| CA | CAA | NA | H11 | 118.6° | 120.5° |
| CA | CAA | NA | CB | 16.3° | 19.5° |
| CAA | CA | NB | H5 | 171.5° | 179.9° |
| CA | CAA | CBA | H12 | 63.1° | 65.0° |
| CA | CAA | CBA | H13 | 54.3° | 54.9° |
| CA | CAA | NA | H18 | 163.7° | 160.6° |
| CE2 | CZA | CE1 | H8 | 177.8° | 179.9° |
| CE2 | CZA | OHA | H19 | 2.3° | 90.0° |
| OHA | CZA | CE1 | H8 | 0.1° | 0.1° |
| OHA | CZA | CE2 | H9 | 1.6° | 0.0° |
| NB | CAB | CBB | CB | 124.2° | 121.8° |
| NB | CAB | CBB | H1 | 117.4° | 119.0° |
| NB | CAB | CB | H1 | 123.5° | 120.4° |
| NB | CAB | CB | NA | 11.8° | 19.7° |
| NB | CAB | CB | OB | 171.1° | 160.3° |
| NB | CAB | CBB | H14 | 63.4° | 56.8° |
| NB | CAB | CBB | H15 | 176.6° | 176.8° |
| CBB | CAB | CB | H1 | 118.1° | 119.2° |
| CBB | CAB | CB | NA | 106.7° | 100.7° |
| CBB | CAB | CB | OB | 70.4° | 79.3° |
| CBB | CAB | NB | H5 | 56.4° | 79.0° |
| CAB | CBB | H14 | H15 | 119.9° | 120.0° |
| CAA | NA | CB | CAB | 22.1° | 0.1° |
| CAA | NA | CB | H18 | 180.0° | 180.0° |
| CAA | NA | CB | OB | 161.0° | 179.9° |
| NA | CAA | CBA | H12 | 172.1° | 56.9° |
| NA | CAA | CBA | H13 | 70.5° | 176.8° |
| CAB | CB | NA | OB | 176.9° | 180.0° |
| CB | CAB | NB | H5 | 176.7° | 160.5° |
| CB | CAB | CBB | H14 | 172.4° | 65.0° |
| CB | CAB | CBB | H15 | 52.5° | 55.0° |
| CAB | CB | NA | H18 | 157.9° | 180.0° |
| NA | CB | CAB | H1 | 135.3° | 140.1° |
| CB | NA | CAA | H11 | 102.4° | 140.0° |
| OB | CB | CAB | H1 | 47.7° | 39.9° |
| OB | CB | NA | H18 | 19.0° | 0.0° |
| H1 | CAB | NB | H5 | 60.2° | 40.0° |
| H1 | CAB | CBB | H14 | 54.0° | 175.8° |
| H1 | CAB | CBB | H15 | 66.0° | 64.2° |
| H2 | CAX | H3 | H4 | 120.0° | 120.0° |
| H6 | CD1 | CE1 | H8 | 3.5° | 0.3° |
| H7 | CD3 | CE3 | H10 | 0.9° | 0.0° |
| H11 | CAA | CBA | H12 | 52.8° | 175.9° |
| H11 | CAA | CBA | H13 | 170.2° | 64.2° |
| H11 | CAA | NA | H18 | 77.6° | 40.1° |
| H16 | CD4 | CE4 | H17 | 1.4° | 0.1° |
