KL7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C04 | sing | 1.51Å | 1.51Å | |
| C04 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | doub | 1.39Å | 1.39Å | Aromatic |
| C06 | C08 | sing | 1.51Å | 1.51Å | |
| C06 | N01 | doub | 1.32Å | 1.36Å | Aromatic |
| C02 | N01 | sing | 1.32Å | 1.35Å | Aromatic |
| C02 | N02 | sing | 1.39Å | 1.35Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C17 | sing | 1.51Å | 1.51Å | |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C12 | F12 | sing | 1.35Å | 1.34Å | |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | F16 | sing | 1.35Å | 1.34Å | |
| C11 | C09 | sing | 1.51Å | 1.52Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | N20 | sing | 1.47Å | 1.48Å | |
| N20 | C22 | sing | 1.47Å | 1.47Å | |
| N20 | C21 | sing | 1.47Å | 1.47Å | |
| C22 | H1 | sing | 1.09Å | 1.10Å | |
| C22 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | H3 | sing | 1.09Å | 1.10Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.08Å | 1.08Å | |
| C13 | H14 | sing | 1.08Å | 1.08Å | |
| C03 | H15 | sing | 1.08Å | 1.08Å | |
| C05 | H16 | sing | 1.08Å | 1.08Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C07 | H18 | sing | 1.09Å | 1.10Å | |
| C07 | H19 | sing | 1.09Å | 1.10Å | |
| C08 | H20 | sing | 1.09Å | 1.10Å | |
| C08 | H21 | sing | 1.09Å | 1.10Å | |
| C09 | H22 | sing | 1.09Å | 1.10Å | |
| C09 | H23 | sing | 1.09Å | 1.10Å | |
| N02 | H24 | sing | 0.97Å | 1.00Å | |
| N02 | H25 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C04 | C05 | 119.5° | 120.7° |
| C07 | C04 | C03 | 121.2° | 120.7° |
| C04 | C07 | H17 | 109.5° | 109.5° |
| C04 | C07 | H18 | 109.5° | 109.5° |
| C04 | C07 | H19 | 109.5° | 109.4° |
| C05 | C04 | C03 | 119.3° | 118.5° |
| C04 | C05 | C06 | 119.7° | 119.3° |
| C04 | C05 | H16 | 120.1° | 120.3° |
| C04 | C03 | C02 | 119.4° | 119.1° |
| C04 | C03 | H15 | 120.3° | 120.4° |
| C05 | C06 | C08 | 119.9° | 119.6° |
| C05 | C06 | N01 | 119.9° | 120.9° |
| C06 | C05 | H16 | 120.1° | 120.4° |
| C03 | C02 | N01 | 120.1° | 120.6° |
| C03 | C02 | N02 | 120.5° | 119.7° |
| C02 | C03 | H15 | 120.3° | 120.5° |
| C08 | C06 | N01 | 120.2° | 119.6° |
| C06 | C08 | C09 | 108.7° | 109.5° |
| C06 | C08 | H20 | 109.7° | 109.5° |
| C06 | C08 | H21 | 109.7° | 109.5° |
| C06 | N01 | C02 | 121.5° | 121.6° |
| N01 | C02 | N02 | 119.3° | 119.7° |
| C02 | N02 | H24 | 109.5° | 119.9° |
| C02 | N02 | H25 | 109.5° | 120.0° |
| C08 | C09 | C11 | 108.3° | 109.5° |
| C09 | C08 | H20 | 109.7° | 109.4° |
| C09 | C08 | H21 | 109.7° | 109.4° |
| C08 | C09 | H22 | 109.8° | 109.5° |
| C08 | C09 | H23 | 109.7° | 109.5° |
| C13 | C14 | C15 | 119.4° | 120.1° |
| C14 | C13 | C12 | 119.4° | 120.0° |
| C13 | C14 | H13 | 120.3° | 119.9° |
| C14 | C13 | H14 | 120.3° | 120.0° |
| C14 | C15 | C17 | 120.4° | 120.0° |
| C14 | C15 | C16 | 120.3° | 120.0° |
| C15 | C14 | H13 | 120.3° | 120.0° |
| C13 | C12 | F12 | 120.3° | 120.0° |
| C13 | C12 | C11 | 120.9° | 119.9° |
| C12 | C13 | H14 | 120.3° | 120.0° |
| C17 | C15 | C16 | 119.3° | 120.0° |
| C15 | C17 | C18 | 108.5° | 109.5° |
| C15 | C17 | H11 | 109.7° | 109.5° |
| C15 | C17 | H12 | 109.7° | 109.4° |
| C15 | C16 | C11 | 120.6° | 120.0° |
| C15 | C16 | F16 | 119.4° | 120.0° |
| C17 | C18 | C19 | 112.5° | 109.5° |
| C17 | C18 | H9 | 108.7° | 109.5° |
| C17 | C18 | H10 | 108.7° | 109.5° |
| C18 | C17 | H11 | 109.7° | 109.5° |
| C18 | C17 | H12 | 109.7° | 109.4° |
| F12 | C12 | C11 | 118.9° | 120.0° |
| C12 | C11 | C16 | 119.4° | 119.9° |
| C12 | C11 | C09 | 120.3° | 120.0° |
| C11 | C16 | F16 | 120.1° | 120.0° |
| C16 | C11 | C09 | 120.2° | 120.0° |
| C11 | C09 | H22 | 109.8° | 109.5° |
| C11 | C09 | H23 | 109.7° | 109.5° |
| C18 | C19 | N20 | 109.2° | 109.5° |
| C18 | C19 | H7 | 109.5° | 109.5° |
| C18 | C19 | H8 | 109.6° | 109.5° |
| C19 | C18 | H9 | 108.7° | 109.5° |
| C19 | C18 | H10 | 108.7° | 109.4° |
| C19 | N20 | C22 | 109.7° | 111.0° |
| C19 | N20 | C21 | 110.7° | 111.0° |
| N20 | C19 | H7 | 109.5° | 109.4° |
| N20 | C19 | H8 | 109.5° | 109.4° |
| C22 | N20 | C21 | 109.3° | 111.0° |
| N20 | C22 | H1 | 109.5° | 109.5° |
| N20 | C22 | H2 | 109.5° | 109.5° |
| N20 | C22 | H3 | 109.5° | 109.5° |
| N20 | C21 | H4 | 109.5° | 109.5° |
| N20 | C21 | H5 | 109.5° | 109.4° |
| N20 | C21 | H6 | 109.5° | 109.5° |
| H1 | C22 | H2 | 109.5° | 109.5° |
| H1 | C22 | H3 | 109.5° | 109.4° |
| H2 | C22 | H3 | 109.4° | 109.5° |
| H4 | C21 | H5 | 109.5° | 109.4° |
| H4 | C21 | H6 | 109.5° | 109.5° |
| H5 | C21 | H6 | 109.5° | 109.5° |
| H7 | C19 | H8 | 109.4° | 109.5° |
| H9 | C18 | H10 | 109.5° | 109.4° |
| H11 | C17 | H12 | 109.5° | 109.5° |
| H17 | C07 | H18 | 109.5° | 109.5° |
| H17 | C07 | H19 | 109.5° | 109.5° |
| H18 | C07 | H19 | 109.4° | 109.5° |
| H20 | C08 | H21 | 109.5° | 109.5° |
| H22 | C09 | H23 | 109.5° | 109.4° |
| H24 | N02 | H25 | 109.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C04 | C05 | C03 | 179.9° | 179.9° |
| C07 | C04 | C05 | C06 | 179.8° | 180.0° |
| C07 | C04 | C03 | C02 | 179.7° | 180.0° |
| C07 | C04 | C03 | H15 | 0.4° | 0.1° |
| C07 | C04 | C05 | H16 | 0.2° | 0.1° |
| C04 | C07 | H17 | H18 | 120.0° | 120.0° |
| C04 | C07 | H17 | H19 | 120.0° | 120.0° |
| C04 | C07 | H18 | H19 | 120.0° | 120.0° |
| C04 | C05 | C06 | H16 | 180.0° | 179.9° |
| C05 | C04 | C03 | C02 | 0.3° | 0.1° |
| C04 | C05 | C06 | C08 | 179.4° | 180.0° |
| C04 | C05 | C06 | N01 | 0.3° | 0.0° |
| C05 | C04 | C03 | H15 | 179.7° | 180.0° |
| C05 | C04 | C07 | H17 | 90.0° | 90.0° |
| C05 | C04 | C07 | H18 | 150.0° | 149.9° |
| C05 | C04 | C07 | H19 | 30.0° | 29.9° |
| C03 | C04 | C05 | C06 | 0.2° | 0.1° |
| C04 | C03 | C02 | H15 | 180.0° | 179.9° |
| C04 | C03 | C02 | N01 | 0.8° | 0.0° |
| C04 | C03 | C02 | N02 | 178.9° | 179.7° |
| C03 | C04 | C05 | H16 | 179.8° | 180.0° |
| C03 | C04 | C07 | H17 | 90.0° | 90.0° |
| C03 | C04 | C07 | H18 | 30.1° | 30.0° |
| C03 | C04 | C07 | H19 | 150.0° | 150.0° |
| C05 | C06 | C08 | N01 | 179.1° | 180.0° |
| C05 | C06 | N01 | C02 | 0.2° | 0.0° |
| C05 | C06 | C08 | C09 | 106.1° | 125.0° |
| C05 | C06 | C08 | H20 | 13.8° | 115.1° |
| C05 | C06 | C08 | H21 | 134.1° | 5.0° |
| C03 | C02 | N01 | C06 | 0.7° | 0.0° |
| C03 | C02 | N01 | N02 | 178.2° | 179.7° |
| C03 | C02 | N02 | H24 | 178.2° | 179.7° |
| C03 | C02 | N02 | H25 | 58.2° | 0.3° |
| C08 | C06 | N01 | C02 | 178.9° | 180.0° |
| C06 | C08 | C09 | H20 | 119.9° | 120.0° |
| C06 | C08 | C09 | H21 | 119.9° | 120.0° |
| C06 | C08 | C09 | C11 | 87.7° | 180.0° |
| C08 | C06 | C05 | H16 | 0.6° | 0.1° |
| C06 | C08 | H20 | H21 | 120.4° | 120.1° |
| C06 | C08 | C09 | H22 | 152.5° | 60.0° |
| C06 | C08 | C09 | H23 | 32.1° | 60.0° |
| C06 | N01 | C02 | N02 | 178.9° | 179.7° |
| N01 | C06 | C08 | C09 | 73.1° | 55.0° |
| N01 | C06 | C05 | H16 | 179.7° | 179.9° |
| N01 | C06 | C08 | H20 | 167.1° | 64.9° |
| N01 | C06 | C08 | H21 | 46.8° | 175.0° |
| N01 | C02 | C03 | H15 | 179.2° | 180.0° |
| N01 | C02 | N02 | H24 | 0.0° | 0.0° |
| N01 | C02 | N02 | H25 | 120.0° | 180.0° |
| N02 | C02 | C03 | H15 | 1.0° | 0.4° |
| C02 | N02 | H24 | H25 | 120.0° | 180.0° |
| C08 | C09 | C11 | C12 | 83.3° | 90.0° |
| C08 | C09 | C11 | C16 | 97.0° | 90.0° |
| C08 | C09 | C11 | H22 | 119.8° | 120.0° |
| C08 | C09 | C11 | H23 | 119.8° | 120.0° |
| C09 | C08 | H20 | H21 | 120.4° | 119.9° |
| C08 | C09 | H22 | H23 | 120.5° | 120.0° |
| C13 | C14 | C15 | H13 | 180.0° | 179.7° |
| C14 | C13 | C12 | H14 | 180.0° | 179.6° |
| C13 | C14 | C15 | C17 | 179.9° | 179.9° |
| C13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C14 | C13 | C12 | F12 | 179.3° | 180.0° |
| C14 | C13 | C12 | C11 | 0.9° | 0.6° |
| C15 | C14 | C13 | C12 | 0.6° | 0.3° |
| C14 | C15 | C17 | C16 | 179.9° | 180.0° |
| C14 | C15 | C17 | C18 | 98.2° | 94.9° |
| C14 | C15 | C16 | C11 | 0.1° | 0.0° |
| C14 | C15 | C16 | F16 | 179.4° | 179.8° |
| C14 | C15 | C17 | H11 | 21.6° | 145.0° |
| C14 | C15 | C17 | H12 | 141.9° | 25.0° |
| C15 | C14 | C13 | H14 | 179.4° | 180.0° |
| C13 | C12 | F12 | C11 | 179.8° | 179.4° |
| C13 | C12 | C11 | C16 | 0.8° | 0.6° |
| C13 | C12 | C11 | C09 | 179.5° | 179.4° |
| C12 | C13 | C14 | H13 | 179.4° | 180.0° |
| C15 | C17 | C18 | H11 | 119.8° | 120.1° |
| C15 | C17 | C18 | H12 | 119.8° | 120.0° |
| C17 | C15 | C16 | C11 | 180.0° | 180.0° |
| C17 | C15 | C16 | F16 | 0.7° | 0.2° |
| C15 | C17 | C18 | C19 | 115.1° | 180.0° |
| C15 | C17 | C18 | H9 | 5.3° | 59.9° |
| C15 | C17 | C18 | H10 | 124.4° | 60.1° |
| C15 | C17 | H11 | H12 | 120.5° | 120.0° |
| C17 | C15 | C14 | H13 | 0.1° | 0.3° |
| C16 | C15 | C17 | C18 | 81.6° | 85.0° |
| C15 | C16 | C11 | C12 | 0.5° | 0.2° |
| C15 | C16 | C11 | F16 | 179.2° | 179.8° |
| C15 | C16 | C11 | C09 | 179.9° | 179.8° |
| C16 | C15 | C17 | H11 | 158.5° | 35.1° |
| C16 | C15 | C17 | H12 | 38.2° | 155.0° |
| C16 | C15 | C14 | H13 | 179.8° | 179.7° |
| C17 | C18 | C19 | H9 | 120.4° | 120.1° |
| C17 | C18 | C19 | H10 | 120.4° | 120.0° |
| C17 | C18 | C19 | N20 | 175.1° | 180.0° |
| C17 | C18 | C19 | H7 | 65.0° | 60.0° |
| C17 | C18 | C19 | H8 | 55.1° | 60.0° |
| C17 | C18 | H9 | H10 | 118.7° | 120.0° |
| C18 | C17 | H11 | H12 | 120.5° | 119.9° |
| F12 | C12 | C11 | C16 | 179.3° | 180.0° |
| F12 | C12 | C11 | C09 | 0.3° | 0.0° |
| F12 | C12 | C13 | H14 | 0.7° | 0.3° |
| C12 | C11 | C16 | C09 | 179.7° | 180.0° |
| C12 | C11 | C16 | F16 | 179.7° | 180.0° |
| C11 | C12 | C13 | H14 | 179.1° | 179.8° |
| C12 | C11 | C09 | H22 | 156.8° | 30.0° |
| C12 | C11 | C09 | H23 | 36.5° | 150.0° |
| C16 | C11 | C09 | H22 | 22.8° | 150.0° |
| C16 | C11 | C09 | H23 | 143.2° | 30.0° |
| F16 | C16 | C11 | C09 | 0.7° | 0.0° |
| C11 | C09 | C08 | H20 | 32.2° | 60.0° |
| C11 | C09 | C08 | H21 | 152.5° | 60.0° |
| C11 | C09 | H22 | H23 | 120.5° | 120.0° |
| C18 | C19 | N20 | H7 | 120.0° | 120.0° |
| C18 | C19 | N20 | H8 | 120.0° | 120.0° |
| C18 | C19 | N20 | C22 | 61.9° | 66.0° |
| C18 | C19 | N20 | C21 | 177.4° | 170.0° |
| C18 | C19 | H7 | H8 | 120.1° | 120.0° |
| C19 | C18 | H9 | H10 | 118.6° | 119.9° |
| C19 | C18 | C17 | H11 | 125.0° | 59.9° |
| C19 | C18 | C17 | H12 | 4.7° | 60.0° |
| C19 | N20 | C22 | C21 | 121.5° | 123.9° |
| C19 | N20 | C22 | H1 | 180.0° | 60.0° |
| C19 | N20 | C22 | H2 | 60.0° | 180.0° |
| C19 | N20 | C22 | H3 | 60.0° | 60.0° |
| C19 | N20 | C21 | H4 | 180.0° | 60.1° |
| C19 | N20 | C21 | H5 | 60.0° | 180.0° |
| C19 | N20 | C21 | H6 | 60.0° | 60.0° |
| N20 | C19 | H7 | H8 | 120.1° | 119.9° |
| N20 | C19 | C18 | H9 | 54.6° | 59.9° |
| N20 | C19 | C18 | H10 | 64.5° | 60.0° |
| N20 | C22 | H1 | H2 | 120.0° | 120.0° |
| N20 | C22 | H1 | H3 | 120.0° | 120.0° |
| N20 | C22 | H2 | H3 | 120.0° | 120.0° |
| C22 | N20 | C21 | H4 | 59.1° | 176.0° |
| C22 | N20 | C21 | H5 | 60.9° | 56.1° |
| C22 | N20 | C21 | H6 | 179.1° | 63.9° |
| C22 | N20 | C19 | H7 | 58.0° | 54.0° |
| C22 | N20 | C19 | H8 | 178.1° | 173.9° |
| C21 | N20 | C22 | H1 | 58.5° | 64.0° |
| C21 | N20 | C22 | H2 | 178.5° | 56.1° |
| C21 | N20 | C22 | H3 | 61.5° | 176.1° |
| N20 | C21 | H4 | H5 | 120.0° | 119.9° |
| N20 | C21 | H4 | H6 | 120.0° | 120.1° |
| N20 | C21 | H5 | H6 | 120.0° | 120.0° |
| C21 | N20 | C19 | H7 | 62.6° | 69.9° |
| C21 | N20 | C19 | H8 | 57.4° | 50.0° |
| H1 | C22 | H2 | H3 | 120.0° | 120.0° |
| H4 | C21 | H5 | H6 | 120.0° | 120.0° |
| H7 | C19 | C18 | H9 | 174.6° | 60.1° |
| H7 | C19 | C18 | H10 | 55.5° | 180.0° |
| H8 | C19 | C18 | H9 | 65.4° | 179.9° |
| H8 | C19 | C18 | H10 | 175.5° | 60.0° |
| H9 | C18 | C17 | H11 | 114.6° | 180.0° |
| H9 | C18 | C17 | H12 | 125.1° | 60.0° |
| H10 | C18 | C17 | H11 | 4.6° | 60.0° |
| H10 | C18 | C17 | H12 | 115.7° | 180.0° |
| H13 | C14 | C13 | H14 | 0.6° | 0.3° |
| H17 | C07 | H18 | H19 | 120.0° | 120.0° |
| H20 | C08 | C09 | H22 | 87.6° | 60.0° |
| H20 | C08 | C09 | H23 | 152.0° | 180.0° |
| H21 | C08 | C09 | H22 | 32.6° | 180.0° |
| H21 | C08 | C09 | H23 | 87.7° | 60.0° |
