K6T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C16 | doub | 1.39Å | 1.40Å | Aromatic |
| C18 | N22 | sing | 1.40Å | 1.44Å | |
| C18 | C17 | doub | 1.39Å | 1.36Å | Aromatic |
| N08 | C06 | doub | 1.31Å | 1.46Å | |
| C16 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | N15 | sing | 1.40Å | 1.44Å | |
| S01 | C05 | sing | 1.76Å | 1.75Å | Aromatic |
| S01 | C02 | sing | 1.71Å | 1.73Å | Aromatic |
| C06 | C05 | sing | 1.47Å | 1.53Å | |
| C06 | N07 | sing | 1.38Å | 1.27Å | |
| N15 | C02 | sing | 1.38Å | 1.44Å | |
| C05 | C04 | doub | 1.35Å | 1.40Å | Aromatic |
| C02 | C03 | doub | 1.37Å | 1.40Å | Aromatic |
| C04 | C03 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C09 | sing | 1.48Å | 1.40Å | |
| C10 | C09 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C14 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| N07 | H7 | sing | 0.97Å | 1.00Å | |
| N07 | H8 | sing | 0.97Å | 1.00Å | |
| N08 | H9 | sing | 0.97Å | 1.00Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H12 | sing | 1.08Å | 1.08Å | |
| N15 | H13 | sing | 0.97Å | 1.00Å | |
| C19 | H14 | sing | 1.08Å | 1.08Å | |
| N22 | H15 | sing | 0.97Å | 1.00Å | |
| N22 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C20 | C21 | 120.5° | 120.1° |
| C20 | C19 | C18 | 120.1° | 120.0° |
| C19 | C20 | H4 | 119.7° | 119.9° |
| C20 | C19 | H14 | 119.9° | 120.0° |
| C20 | C21 | C16 | 118.0° | 120.1° |
| C21 | C20 | H4 | 119.7° | 120.0° |
| C20 | C21 | H5 | 121.0° | 119.9° |
| C19 | C18 | N22 | 125.4° | 120.0° |
| C19 | C18 | C17 | 120.0° | 120.0° |
| C18 | C19 | H14 | 119.9° | 120.0° |
| C21 | C16 | C17 | 121.1° | 119.9° |
| C21 | C16 | N15 | 127.1° | 120.0° |
| C16 | C21 | H5 | 121.0° | 120.0° |
| N22 | C18 | C17 | 114.6° | 120.1° |
| C18 | N22 | H15 | 109.5° | 120.0° |
| C18 | N22 | H16 | 109.4° | 120.0° |
| C18 | C17 | C16 | 120.3° | 119.8° |
| C18 | C17 | H3 | 119.9° | 120.1° |
| N08 | C06 | C05 | 114.9° | 120.0° |
| N08 | C06 | N07 | 124.4° | 120.0° |
| C06 | N08 | H9 | 112.0° | 120.0° |
| C17 | C16 | N15 | 111.8° | 120.1° |
| C16 | C17 | H3 | 119.8° | 120.0° |
| C16 | N15 | C02 | 126.6° | 120.0° |
| C16 | N15 | H13 | 116.7° | 120.0° |
| C05 | S01 | C02 | 92.8° | 91.8° |
| S01 | C05 | C06 | 123.3° | 125.0° |
| S01 | C05 | C04 | 109.5° | 109.9° |
| S01 | C02 | N15 | 126.9° | 124.8° |
| S01 | C02 | C03 | 110.1° | 110.4° |
| C05 | C06 | N07 | 120.6° | 120.0° |
| C06 | C05 | C04 | 127.2° | 125.1° |
| C06 | N07 | H7 | 120.0° | 120.0° |
| C06 | N07 | H8 | 120.0° | 120.0° |
| N15 | C02 | C03 | 123.0° | 124.8° |
| C02 | N15 | H13 | 116.7° | 120.0° |
| C05 | C04 | C03 | 114.0° | 113.7° |
| C05 | C04 | H6 | 123.0° | 123.1° |
| C02 | C03 | C04 | 113.6° | 114.1° |
| C02 | C03 | C09 | 121.4° | 122.9° |
| C04 | C03 | C09 | 125.0° | 123.0° |
| C03 | C04 | H6 | 123.0° | 123.1° |
| C03 | C09 | C10 | 119.3° | 120.1° |
| C03 | C09 | C14 | 120.2° | 120.1° |
| C09 | C10 | C11 | 120.5° | 119.9° |
| C10 | C09 | C14 | 120.4° | 119.7° |
| C09 | C10 | H1 | 119.7° | 120.0° |
| C10 | C11 | C12 | 118.8° | 120.1° |
| C11 | C10 | H1 | 119.7° | 120.1° |
| C10 | C11 | H10 | 120.6° | 119.9° |
| C09 | C14 | C13 | 119.2° | 119.9° |
| C09 | C14 | H12 | 120.4° | 120.0° |
| C11 | C12 | C13 | 121.0° | 120.3° |
| C12 | C11 | H10 | 120.6° | 120.0° |
| C11 | C12 | H11 | 119.5° | 119.9° |
| C14 | C13 | C12 | 120.0° | 120.1° |
| C14 | C13 | H2 | 120.0° | 119.9° |
| C13 | C14 | H12 | 120.4° | 120.1° |
| C12 | C13 | H2 | 120.0° | 119.9° |
| C13 | C12 | H11 | 119.5° | 119.9° |
| H7 | N07 | H8 | 120.0° | 120.1° |
| H15 | N22 | H16 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C20 | C21 | H4 | 180.0° | 179.7° |
| C20 | C19 | C18 | H14 | 180.0° | 179.8° |
| C19 | C20 | C21 | C16 | 0.0° | 0.3° |
| C20 | C19 | C18 | N22 | 179.7° | 180.0° |
| C20 | C19 | C18 | C17 | 1.8° | 0.1° |
| C19 | C20 | C21 | H5 | 180.0° | 180.0° |
| C21 | C20 | C19 | C18 | 1.2° | 0.3° |
| C20 | C21 | C16 | H5 | 180.0° | 179.7° |
| C20 | C21 | C16 | C17 | 0.6° | 0.0° |
| C20 | C21 | C16 | N15 | 178.6° | 179.9° |
| C21 | C20 | C19 | H14 | 178.8° | 180.0° |
| C19 | C18 | N22 | C17 | 178.6° | 180.0° |
| C19 | C18 | C17 | C16 | 1.2° | 0.3° |
| C19 | C18 | C17 | H3 | 178.8° | 180.0° |
| C18 | C19 | C20 | H4 | 178.8° | 180.0° |
| C19 | C18 | N22 | H15 | 180.0° | 179.9° |
| C19 | C18 | N22 | H16 | 60.0° | 0.0° |
| C21 | C16 | C17 | C18 | 0.0° | 0.3° |
| C21 | C16 | C17 | N15 | 178.3° | 180.0° |
| C21 | C16 | N15 | C02 | 19.6° | 143.4° |
| C21 | C16 | C17 | H3 | 180.0° | 180.0° |
| C16 | C21 | C20 | H4 | 180.0° | 180.0° |
| C21 | C16 | N15 | H13 | 160.5° | 36.6° |
| N22 | C18 | C17 | C16 | 179.9° | 179.7° |
| N22 | C18 | C17 | H3 | 0.1° | 0.0° |
| N22 | C18 | C19 | H14 | 0.3° | 0.2° |
| C18 | N22 | H15 | H16 | 120.0° | 179.9° |
| C18 | C17 | C16 | H3 | 180.0° | 179.7° |
| C18 | C17 | C16 | N15 | 178.3° | 179.7° |
| C17 | C18 | C19 | H14 | 178.2° | 179.7° |
| C17 | C18 | N22 | H15 | 1.4° | 0.0° |
| C17 | C18 | N22 | H16 | 118.6° | 180.0° |
| N08 | C06 | C05 | S01 | 7.5° | 180.0° |
| N08 | C06 | C05 | N07 | 176.6° | 180.0° |
| N08 | C06 | C05 | C04 | 169.5° | 0.1° |
| N08 | C06 | N07 | H7 | 176.2° | 179.9° |
| N08 | C06 | N07 | H8 | 3.7° | 0.0° |
| C17 | C16 | N15 | C02 | 162.3° | 36.5° |
| C17 | C16 | C21 | H5 | 179.4° | 179.7° |
| C17 | C16 | N15 | H13 | 17.7° | 143.4° |
| C16 | N15 | C02 | S01 | 27.3° | 6.5° |
| C16 | N15 | C02 | H13 | 180.0° | 180.0° |
| C16 | N15 | C02 | C03 | 154.3° | 173.5° |
| N15 | C16 | C17 | H3 | 1.7° | 0.1° |
| N15 | C16 | C21 | H5 | 1.4° | 0.2° |
| S01 | C05 | C06 | C04 | 176.9° | 179.9° |
| S01 | C05 | C06 | N07 | 175.9° | 0.0° |
| C05 | S01 | C02 | N15 | 177.8° | 180.0° |
| C05 | S01 | C02 | C03 | 0.8° | 0.0° |
| S01 | C05 | C04 | C03 | 0.3° | 0.0° |
| S01 | C05 | C04 | H6 | 179.7° | 180.0° |
| C02 | S01 | C05 | C06 | 178.0° | 180.0° |
| S01 | C02 | N15 | C03 | 178.4° | 180.0° |
| C02 | S01 | C05 | C04 | 0.6° | 0.0° |
| S01 | C02 | C03 | C04 | 0.7° | 0.0° |
| S01 | C02 | C03 | C09 | 179.5° | 180.0° |
| S01 | C02 | N15 | H13 | 152.6° | 173.6° |
| C06 | C05 | C04 | C03 | 177.6° | 180.0° |
| C06 | C05 | C04 | H6 | 2.4° | 0.0° |
| C05 | C06 | N07 | H7 | 0.0° | 0.0° |
| C05 | C06 | N07 | H8 | 180.0° | 179.9° |
| C05 | C06 | N08 | H9 | 176.4° | 180.0° |
| N07 | C06 | C05 | C04 | 7.1° | 179.9° |
| C06 | N07 | H7 | H8 | 180.0° | 179.9° |
| N07 | C06 | N08 | H9 | 0.0° | 0.0° |
| N15 | C02 | C03 | C04 | 177.9° | 180.0° |
| N15 | C02 | C03 | C09 | 0.9° | 0.0° |
| C05 | C04 | C03 | C02 | 0.3° | 0.0° |
| C05 | C04 | C03 | H6 | 180.0° | 180.0° |
| C05 | C04 | C03 | C09 | 179.0° | 180.0° |
| C02 | C03 | C04 | C09 | 178.7° | 180.0° |
| C02 | C03 | C09 | C10 | 53.4° | 130.0° |
| C02 | C03 | C09 | C14 | 124.8° | 50.0° |
| C02 | C03 | C04 | H6 | 179.7° | 180.0° |
| C03 | C02 | N15 | H13 | 25.8° | 6.5° |
| C04 | C03 | C09 | C10 | 127.9° | 50.0° |
| C04 | C03 | C09 | C14 | 53.9° | 130.0° |
| C03 | C09 | C10 | C14 | 178.2° | 180.0° |
| C03 | C09 | C10 | C11 | 179.0° | 180.0° |
| C03 | C09 | C14 | C13 | 179.3° | 180.0° |
| C03 | C09 | C10 | H1 | 1.0° | 0.3° |
| C09 | C03 | C04 | H6 | 1.0° | 0.0° |
| C03 | C09 | C14 | H12 | 0.7° | 0.1° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C09 | C10 | C11 | C12 | 0.0° | 0.1° |
| C10 | C09 | C14 | C13 | 1.1° | 0.0° |
| C09 | C10 | C11 | H10 | 180.0° | 180.0° |
| C10 | C09 | C14 | H12 | 178.9° | 180.0° |
| C11 | C10 | C09 | C14 | 0.8° | 0.1° |
| C10 | C11 | C12 | H10 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.5° | 0.0° |
| C10 | C11 | C12 | H11 | 179.5° | 180.0° |
| C09 | C14 | C13 | H12 | 180.0° | 179.9° |
| C09 | C14 | C13 | C12 | 0.6° | 0.0° |
| C14 | C09 | C10 | H1 | 179.2° | 179.8° |
| C09 | C14 | C13 | H2 | 179.4° | 180.0° |
| C11 | C12 | C13 | C14 | 0.2° | 0.0° |
| C11 | C12 | C13 | H11 | 180.0° | 180.0° |
| C12 | C11 | C10 | H1 | 179.9° | 179.8° |
| C11 | C12 | C13 | H2 | 179.8° | 180.0° |
| C14 | C13 | C12 | H2 | 180.0° | 180.0° |
| C14 | C13 | C12 | H11 | 179.7° | 180.0° |
| C13 | C12 | C11 | H10 | 179.5° | 180.0° |
| C12 | C13 | C14 | H12 | 179.4° | 180.0° |
| H1 | C10 | C11 | H10 | 0.0° | 0.3° |
| H2 | C13 | C12 | H11 | 0.3° | 0.0° |
| H2 | C13 | C14 | H12 | 0.6° | 0.1° |
| H4 | C20 | C21 | H5 | 0.0° | 0.3° |
| H4 | C20 | C19 | H14 | 1.2° | 0.2° |
| H10 | C11 | C12 | H11 | 0.5° | 0.0° |
