K7K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | N01 | sing | 1.32Å | 1.32Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| N01 | C08 | doub | 1.33Å | 1.34Å | Aromatic |
| C12 | C07 | doub | 1.39Å | 1.41Å | Aromatic |
| N02 | C17 | doub | 1.32Å | 1.33Å | Aromatic |
| N02 | C13 | sing | 1.33Å | 1.34Å | Aromatic |
| C08 | C07 | sing | 1.40Å | 1.44Å | Aromatic |
| C08 | C13 | sing | 1.48Å | 1.36Å | |
| C17 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C07 | O03 | sing | 1.36Å | 1.46Å | |
| C13 | C14 | doub | 1.40Å | 1.42Å | Aromatic |
| N | CA | sing | 1.47Å | 1.51Å | |
| C16 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| O03 | P01 | sing | 1.61Å | 1.63Å | |
| C14 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | O02 | sing | 1.36Å | 1.42Å | |
| OG | P01 | sing | 1.61Å | 1.63Å | |
| OG | CB | sing | 1.43Å | 1.43Å | |
| O01 | P01 | doub | 1.48Å | 1.51Å | |
| P01 | C01 | sing | 1.82Å | 1.79Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C01 | C02 | sing | 1.53Å | 1.52Å | |
| C02 | C03 | sing | 1.53Å | 1.53Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C05 | C04 | sing | 1.53Å | 1.54Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| N | H1 | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C10 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.08Å | 1.08Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.08Å | 1.08Å | |
| CA | H10 | sing | 1.09Å | 1.10Å | |
| CB | H12 | sing | 1.09Å | 1.10Å | |
| CB | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C02 | H16 | sing | 1.09Å | 1.10Å | |
| C02 | H17 | sing | 1.09Å | 1.10Å | |
| O02 | H18 | sing | 0.97Å | 0.95Å | |
| C03 | H19 | sing | 1.09Å | 1.10Å | |
| C03 | H20 | sing | 1.09Å | 1.10Å | |
| C04 | H21 | sing | 1.09Å | 1.10Å | |
| C04 | H22 | sing | 1.09Å | 1.10Å | |
| C05 | H23 | sing | 1.09Å | 1.10Å | |
| C05 | H24 | sing | 1.09Å | 1.10Å | |
| C06 | H25 | sing | 1.09Å | 1.10Å | |
| C06 | H26 | sing | 1.09Å | 1.10Å | |
| C06 | H27 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å | |
| C | OXT | sing | 1.34Å | 48.29Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | N01 | 112.8° | 121.0° |
| C10 | C11 | C12 | 120.3° | 119.4° |
| C11 | C10 | H4 | 123.6° | 119.5° |
| C10 | C11 | H5 | 119.9° | 120.3° |
| C10 | N01 | C08 | 134.7° | 121.7° |
| N01 | C10 | H4 | 123.6° | 119.5° |
| C11 | C12 | C07 | 121.7° | 118.5° |
| C12 | C11 | H5 | 119.8° | 120.3° |
| C11 | C12 | H6 | 119.1° | 120.7° |
| N01 | C08 | C07 | 112.8° | 120.5° |
| N01 | C08 | C13 | 119.5° | 119.8° |
| C12 | C07 | C08 | 117.7° | 119.0° |
| C12 | C07 | O03 | 119.8° | 120.5° |
| C07 | C12 | H6 | 119.2° | 120.8° |
| C17 | N02 | C13 | 134.4° | 121.7° |
| N02 | C17 | C16 | 113.4° | 121.0° |
| N02 | C17 | H9 | 123.3° | 119.5° |
| N02 | C13 | C08 | 121.0° | 119.8° |
| N02 | C13 | C14 | 111.4° | 120.5° |
| C07 | C08 | C13 | 127.7° | 119.7° |
| C08 | C07 | O03 | 122.5° | 120.5° |
| C08 | C13 | C14 | 127.6° | 119.7° |
| C17 | C16 | C15 | 119.6° | 119.4° |
| C17 | C16 | H8 | 120.2° | 120.3° |
| C16 | C17 | H9 | 123.3° | 119.5° |
| C07 | O03 | P01 | 122.3° | 114.0° |
| C13 | C14 | C15 | 120.5° | 118.9° |
| C13 | C14 | O02 | 122.6° | 120.5° |
| N | CA | C | 112.7° | 109.5° |
| N | CA | CB | 119.2° | 109.5° |
| CA | N | H1 | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | H10 | 100.9° | 109.4° |
| C16 | C15 | C14 | 120.6° | 118.5° |
| C16 | C15 | H7 | 119.7° | 120.7° |
| C15 | C16 | H8 | 120.2° | 120.3° |
| O03 | P01 | OG | 111.8° | 109.5° |
| O03 | P01 | O01 | 117.5° | 109.4° |
| O03 | P01 | C01 | 101.2° | 109.5° |
| C15 | C14 | O02 | 116.9° | 120.5° |
| C14 | C15 | H7 | 119.7° | 120.7° |
| C14 | O02 | H18 | 109.5° | 114.0° |
| P01 | OG | CB | 119.7° | 123.0° |
| OG | P01 | O01 | 107.4° | 109.5° |
| OG | P01 | C01 | 104.4° | 109.5° |
| OG | CB | CA | 122.3° | 109.4° |
| OG | CB | H12 | 106.2° | 109.5° |
| OG | CB | H13 | 106.2° | 109.5° |
| O01 | P01 | C01 | 113.8° | 109.5° |
| P01 | C01 | C02 | 116.5° | 109.4° |
| P01 | C01 | H14 | 107.7° | 109.5° |
| P01 | C01 | H15 | 107.7° | 109.5° |
| C | CA | CB | 117.9° | 109.5° |
| CA | C | O | 119.0° | 120.0° |
| C | CA | H10 | 100.7° | 109.5° |
| CA | C | OXT | 21.6° | 120.0° |
| CB | CA | H10 | 100.6° | 109.5° |
| CA | CB | H12 | 106.2° | 109.5° |
| CA | CB | H13 | 106.2° | 109.4° |
| O | C | OXT | 118.7° | 120.0° |
| C01 | C02 | C03 | 113.6° | 109.4° |
| C02 | C01 | H14 | 107.7° | 109.5° |
| C02 | C01 | H15 | 107.7° | 109.5° |
| C01 | C02 | H16 | 108.4° | 109.5° |
| C01 | C02 | H17 | 108.4° | 109.5° |
| C02 | C03 | C04 | 111.2° | 109.5° |
| C03 | C02 | H16 | 108.4° | 109.5° |
| C03 | C02 | H17 | 108.4° | 109.4° |
| C02 | C03 | H19 | 109.0° | 109.5° |
| C02 | C03 | H20 | 109.0° | 109.5° |
| C03 | C04 | C05 | 112.1° | 109.5° |
| C04 | C03 | H19 | 109.0° | 109.4° |
| C04 | C03 | H20 | 109.0° | 109.4° |
| C03 | C04 | H21 | 108.8° | 109.5° |
| C03 | C04 | H22 | 108.8° | 109.5° |
| C04 | C05 | C06 | 110.8° | 109.5° |
| C05 | C04 | H21 | 108.8° | 109.5° |
| C05 | C04 | H22 | 108.8° | 109.4° |
| C04 | C05 | H23 | 109.1° | 109.5° |
| C04 | C05 | H24 | 109.2° | 109.4° |
| C06 | C05 | H23 | 109.1° | 109.5° |
| C06 | C05 | H24 | 109.1° | 109.5° |
| C05 | C06 | H25 | 109.5° | 109.5° |
| C05 | C06 | H26 | 109.5° | 109.5° |
| C05 | C06 | H27 | 109.5° | 109.5° |
| H1 | N | H2 | 109.5° | 111.0° |
| H12 | CB | H13 | 109.5° | 109.5° |
| H14 | C01 | H15 | 109.5° | 109.5° |
| H16 | C02 | H17 | 109.5° | 109.5° |
| H19 | C03 | H20 | 109.5° | 109.5° |
| H21 | C04 | H22 | 109.5° | 109.4° |
| H23 | C05 | H24 | 109.4° | 109.4° |
| H25 | C06 | H26 | 109.4° | 109.5° |
| H25 | C06 | H27 | 109.5° | 109.4° |
| H26 | C06 | H27 | 109.5° | 109.5° |
| HXT | OXT | C | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | N01 | H4 | 180.0° | 179.8° |
| C10 | C11 | C12 | H5 | 180.0° | 180.0° |
| C11 | C10 | N01 | C08 | 0.5° | 0.1° |
| C10 | C11 | C12 | C07 | 0.8° | 0.0° |
| C10 | C11 | C12 | H6 | 179.3° | 180.0° |
| N01 | C10 | C11 | C12 | 0.2° | 0.1° |
| C10 | N01 | C08 | C07 | 0.6° | 0.0° |
| C10 | N01 | C08 | C13 | 179.9° | 180.0° |
| N01 | C10 | C11 | H5 | 179.8° | 179.9° |
| C11 | C12 | C07 | H6 | 180.0° | 179.9° |
| C11 | C12 | C07 | C08 | 0.7° | 0.0° |
| C11 | C12 | C07 | O03 | 178.9° | 180.0° |
| C12 | C11 | C10 | H4 | 179.7° | 179.7° |
| N01 | C08 | C07 | C12 | 0.0° | 0.0° |
| N01 | C08 | C13 | N02 | 7.7° | 179.7° |
| N01 | C08 | C07 | C13 | 179.2° | 180.0° |
| N01 | C08 | C07 | O03 | 179.5° | 180.0° |
| N01 | C08 | C13 | C14 | 173.0° | 0.0° |
| C08 | N01 | C10 | H4 | 179.5° | 179.7° |
| C12 | C07 | C08 | O03 | 179.5° | 180.0° |
| C12 | C07 | C08 | C13 | 179.2° | 180.0° |
| C12 | C07 | O03 | P01 | 1.9° | 75.0° |
| C07 | C12 | C11 | H5 | 179.3° | 180.0° |
| C17 | N02 | C13 | C08 | 180.0° | 179.8° |
| N02 | C17 | C16 | H9 | 180.0° | 179.7° |
| C17 | N02 | C13 | C14 | 0.6° | 0.5° |
| N02 | C17 | C16 | C15 | 0.3° | 0.3° |
| N02 | C17 | C16 | H8 | 179.7° | 179.7° |
| N02 | C13 | C08 | C07 | 171.5° | 0.3° |
| N02 | C13 | C08 | C14 | 179.3° | 179.7° |
| C13 | N02 | C17 | C16 | 0.6° | 0.6° |
| N02 | C13 | C14 | C15 | 0.5° | 0.2° |
| N02 | C13 | C14 | O02 | 179.8° | 179.7° |
| C13 | N02 | C17 | H9 | 179.5° | 179.7° |
| C07 | C08 | C13 | C14 | 7.8° | 180.0° |
| C08 | C07 | O03 | P01 | 177.6° | 105.0° |
| C08 | C07 | C12 | H6 | 179.4° | 180.0° |
| C13 | C08 | C07 | O03 | 1.3° | 0.0° |
| C08 | C13 | C14 | C15 | 179.9° | 179.9° |
| C08 | C13 | C14 | O02 | 0.4° | 0.0° |
| C17 | C16 | C15 | H8 | 180.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.3° | 0.0° |
| C17 | C16 | C15 | H7 | 179.7° | 180.0° |
| C07 | O03 | P01 | OG | 30.1° | 65.0° |
| C07 | O03 | P01 | O01 | 94.7° | 55.0° |
| C07 | O03 | P01 | C01 | 140.7° | 175.0° |
| O03 | C07 | C12 | H6 | 1.1° | 0.0° |
| C13 | C14 | C15 | C16 | 0.4° | 0.0° |
| C13 | C14 | C15 | O02 | 179.7° | 179.9° |
| C13 | C14 | C15 | H7 | 179.6° | 180.0° |
| C13 | C14 | O02 | H18 | 180.0° | 89.9° |
| N | CA | CB | OG | 55.4° | 65.0° |
| N | CA | C | CB | 145.1° | 120.0° |
| N | CA | C | H10 | 106.7° | 119.9° |
| N | CA | CB | H10 | 108.9° | 119.9° |
| N | CA | C | O | 70.7° | 20.1° |
| CA | N | H1 | H2 | 120.0° | 123.9° |
| N | CA | CB | H12 | 66.3° | 55.0° |
| N | CA | CB | H13 | 177.2° | 175.0° |
| N | CA | C | OXT | 24.7° | 160.0° |
| C16 | C15 | C14 | H7 | 180.0° | 179.9° |
| C16 | C15 | C14 | O02 | 179.9° | 180.0° |
| C15 | C16 | C17 | H9 | 179.7° | 180.0° |
| O03 | P01 | OG | O01 | 130.3° | 120.0° |
| O03 | P01 | OG | C01 | 108.6° | 120.0° |
| O03 | P01 | OG | CB | 146.6° | 64.9° |
| O03 | P01 | O01 | C01 | 118.0° | 120.0° |
| O03 | P01 | C01 | C02 | 115.1° | 175.0° |
| O03 | P01 | C01 | H14 | 123.9° | 65.1° |
| O03 | P01 | C01 | H15 | 5.9° | 55.0° |
| C14 | C15 | C16 | H8 | 179.7° | 180.0° |
| C15 | C14 | O02 | H18 | 0.3° | 90.1° |
| O02 | C14 | C15 | H7 | 0.1° | 0.1° |
| OG | P01 | O01 | C01 | 115.0° | 120.0° |
| P01 | OG | CB | CA | 121.5° | 180.0° |
| OG | P01 | C01 | C02 | 128.7° | 65.0° |
| P01 | OG | CB | H12 | 116.8° | 60.0° |
| P01 | OG | CB | H13 | 0.3° | 60.1° |
| OG | P01 | C01 | H14 | 7.7° | 55.0° |
| OG | P01 | C01 | H15 | 110.3° | 175.0° |
| CB | OG | P01 | O01 | 83.1° | 55.0° |
| CB | OG | P01 | C01 | 38.0° | 175.0° |
| OG | CB | CA | C | 87.4° | 175.0° |
| OG | CB | CA | H12 | 121.7° | 120.0° |
| OG | CB | CA | H13 | 121.8° | 120.0° |
| OG | CB | CA | H10 | 164.3° | 54.9° |
| OG | CB | H12 | H13 | 114.2° | 120.0° |
| O01 | P01 | C01 | C02 | 11.9° | 55.0° |
| O01 | P01 | C01 | H14 | 109.1° | 175.0° |
| O01 | P01 | C01 | H15 | 132.9° | 65.0° |
| P01 | C01 | C02 | H14 | 121.0° | 120.0° |
| P01 | C01 | C02 | H15 | 121.0° | 120.0° |
| P01 | C01 | C02 | C03 | 122.5° | 180.0° |
| P01 | C01 | H14 | H15 | 116.8° | 120.0° |
| P01 | C01 | C02 | H16 | 116.9° | 60.0° |
| P01 | C01 | C02 | H17 | 1.9° | 60.0° |
| C | CA | CB | H10 | 108.3° | 120.1° |
| CA | C | O | OXT | 24.7° | 179.9° |
| C | CA | N | H1 | 180.0° | 63.9° |
| C | CA | N | H2 | 60.0° | 60.0° |
| C | CA | CB | H12 | 150.9° | 65.0° |
| C | CA | CB | H13 | 34.4° | 55.0° |
| CA | C | OXT | HXT | 90.0° | 179.9° |
| CB | CA | C | O | 144.2° | 100.0° |
| CB | CA | N | H1 | 35.4° | 176.0° |
| CB | CA | N | H2 | 155.4° | 60.0° |
| CA | CB | H12 | H13 | 114.3° | 120.0° |
| CB | CA | C | OXT | 120.4° | 80.0° |
| O | C | CA | H10 | 36.0° | 140.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| C01 | C02 | C03 | H16 | 120.6° | 120.1° |
| C01 | C02 | C03 | H17 | 120.6° | 120.0° |
| C01 | C02 | C03 | C04 | 162.5° | 180.0° |
| C02 | C01 | H14 | H15 | 116.8° | 120.0° |
| C01 | C02 | H16 | H17 | 118.1° | 120.1° |
| C01 | C02 | C03 | H19 | 77.2° | 60.0° |
| C01 | C02 | C03 | H20 | 42.2° | 60.1° |
| C02 | C03 | C04 | H19 | 120.3° | 120.0° |
| C02 | C03 | C04 | H20 | 120.3° | 120.0° |
| C02 | C03 | C04 | C05 | 100.0° | 180.0° |
| C03 | C02 | C01 | H14 | 1.4° | 60.0° |
| C03 | C02 | C01 | H15 | 116.5° | 60.1° |
| C03 | C02 | H16 | H17 | 118.1° | 120.0° |
| C02 | C03 | H19 | H20 | 119.2° | 120.0° |
| C02 | C03 | C04 | H21 | 139.6° | 59.9° |
| C02 | C03 | C04 | H22 | 20.3° | 60.0° |
| C03 | C04 | C05 | H21 | 120.4° | 120.1° |
| C03 | C04 | C05 | H22 | 120.4° | 120.0° |
| C03 | C04 | C05 | C06 | 138.4° | 180.0° |
| C04 | C03 | C02 | H16 | 41.9° | 60.0° |
| C04 | C03 | C02 | H17 | 76.9° | 60.0° |
| C04 | C03 | H19 | H20 | 119.2° | 119.9° |
| C03 | C04 | H21 | H22 | 118.8° | 120.0° |
| C03 | C04 | C05 | H23 | 18.2° | 59.9° |
| C03 | C04 | C05 | H24 | 101.4° | 60.0° |
| C04 | C05 | C06 | H23 | 120.2° | 120.1° |
| C04 | C05 | C06 | H24 | 120.2° | 120.0° |
| C05 | C04 | C03 | H19 | 20.2° | 60.0° |
| C05 | C04 | C03 | H20 | 139.7° | 60.0° |
| C05 | C04 | H21 | H22 | 118.8° | 120.0° |
| C04 | C05 | H23 | H24 | 119.4° | 120.0° |
| C04 | C05 | C06 | H25 | 180.0° | 60.0° |
| C04 | C05 | C06 | H26 | 60.0° | 60.0° |
| C04 | C05 | C06 | H27 | 60.0° | 180.0° |
| C06 | C05 | C04 | H21 | 101.3° | 60.0° |
| C06 | C05 | C04 | H22 | 18.0° | 60.0° |
| C06 | C05 | H23 | H24 | 119.3° | 120.0° |
| C05 | C06 | H25 | H26 | 120.0° | 120.0° |
| C05 | C06 | H25 | H27 | 120.0° | 120.0° |
| C05 | C06 | H26 | H27 | 120.0° | 120.0° |
| H1 | N | CA | H10 | 73.5° | 56.1° |
| H2 | N | CA | H10 | 46.6° | 180.0° |
| H4 | C10 | C11 | H5 | 0.2° | 0.3° |
| H5 | C11 | C12 | H6 | 0.7° | 0.0° |
| H7 | C15 | C16 | H8 | 0.3° | 0.0° |
| H8 | C16 | C17 | H9 | 0.3° | 0.0° |
| H10 | CA | CB | H12 | 42.6° | 175.0° |
| H10 | CA | CB | H13 | 73.9° | 65.0° |
| H10 | CA | C | OXT | 131.3° | 40.1° |
| H14 | C01 | C02 | H16 | 122.0° | 180.0° |
| H14 | C01 | C02 | H17 | 119.2° | 59.9° |
| H15 | C01 | C02 | H16 | 4.1° | 59.9° |
| H15 | C01 | C02 | H17 | 122.9° | 180.0° |
| H16 | C02 | C03 | H19 | 162.2° | 180.0° |
| H16 | C02 | C03 | H20 | 78.4° | 60.0° |
| H17 | C02 | C03 | H19 | 43.4° | 60.0° |
| H17 | C02 | C03 | H20 | 162.8° | 180.0° |
| H19 | C03 | C04 | H21 | 100.2° | 180.0° |
| H19 | C03 | C04 | H22 | 140.6° | 60.0° |
| H20 | C03 | C04 | H21 | 19.3° | 60.1° |
| H20 | C03 | C04 | H22 | 99.9° | 180.0° |
| H21 | C04 | C05 | H23 | 138.6° | 180.0° |
| H21 | C04 | C05 | H24 | 19.0° | 60.0° |
| H22 | C04 | C05 | H23 | 102.2° | 60.0° |
| H22 | C04 | C05 | H24 | 138.2° | 180.0° |
| H23 | C05 | C06 | H25 | 59.8° | 179.9° |
| H23 | C05 | C06 | H26 | 179.8° | 60.1° |
| H23 | C05 | C06 | H27 | 60.2° | 60.0° |
| H24 | C05 | C06 | H25 | 59.7° | 59.9° |
| H24 | C05 | C06 | H26 | 60.3° | 180.0° |
| H24 | C05 | C06 | H27 | 179.7° | 60.0° |
| H25 | C06 | H26 | H27 | 120.0° | 119.9° |
