SK6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | doub | 1.32Å | 1.33Å | Aromatic |
| N01 | C06 | sing | 1.32Å | 1.34Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.40Å | Aromatic |
| C02 | N07 | sing | 1.39Å | 1.35Å | |
| C03 | C04 | doub | 1.38Å | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.40Å | Aromatic |
| C04 | C08 | sing | 1.51Å | 1.39Å | |
| C05 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C06 | C09 | sing | 1.51Å | 1.42Å | |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.51Å | 1.43Å | |
| C11 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | N17 | sing | 1.40Å | 1.35Å | |
| C14 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| C15 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C15 | C26 | sing | 1.43Å | 1.48Å | |
| N17 | C18 | sing | 1.47Å | 1.49Å | |
| C18 | C19 | sing | 1.53Å | 1.55Å | |
| C19 | C20 | sing | 1.51Å | 1.41Å | |
| C20 | N21 | doub | 1.32Å | 1.35Å | Aromatic |
| C20 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| N21 | C22 | sing | 1.32Å | 1.40Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.39Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| C26 | N27 | trip | 1.14Å | 1.21Å | |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| N07 | HN07 | sing | 0.97Å | 1.00Å | |
| N07 | HN0A | sing | 0.97Å | 1.00Å | |
| C08 | H08 | sing | 1.09Å | 1.10Å | |
| C08 | H08A | sing | 1.09Å | 1.10Å | |
| C08 | H08B | sing | 1.09Å | 1.10Å | |
| C09 | H09 | sing | 1.09Å | 1.10Å | |
| C09 | H09A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| N17 | HN17 | sing | 0.97Å | 1.00Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | N01 | C06 | 124.6° | 121.6° |
| N01 | C02 | C03 | 119.5° | 120.6° |
| N01 | C02 | N07 | 117.9° | 119.7° |
| N01 | C06 | C05 | 118.4° | 120.9° |
| N01 | C06 | C09 | 116.5° | 119.6° |
| C03 | C02 | N07 | 122.5° | 119.7° |
| C02 | C03 | C04 | 118.2° | 119.0° |
| C02 | C03 | H03 | 120.9° | 120.5° |
| C02 | N07 | HN07 | 109.5° | 120.0° |
| C02 | N07 | HN0A | 109.5° | 120.0° |
| C03 | C04 | C05 | 120.2° | 118.5° |
| C03 | C04 | C08 | 119.3° | 120.7° |
| C04 | C03 | H03 | 120.9° | 120.4° |
| C05 | C04 | C08 | 120.4° | 120.8° |
| C04 | C05 | C06 | 119.0° | 119.3° |
| C04 | C05 | H05 | 120.5° | 120.3° |
| C04 | C08 | H08 | 109.5° | 109.5° |
| C04 | C08 | H08A | 109.4° | 109.5° |
| C04 | C08 | H08B | 109.5° | 109.5° |
| C05 | C06 | C09 | 125.0° | 119.6° |
| C06 | C05 | H05 | 120.5° | 120.4° |
| C06 | C09 | C10 | 115.8° | 109.5° |
| C06 | C09 | H09 | 107.9° | 109.5° |
| C06 | C09 | H09A | 107.9° | 109.5° |
| C09 | C10 | C11 | 112.8° | 109.5° |
| C10 | C09 | H09 | 107.9° | 109.5° |
| C10 | C09 | H09A | 107.9° | 109.4° |
| C09 | C10 | H10 | 108.6° | 109.5° |
| C09 | C10 | H10A | 108.6° | 109.5° |
| C10 | C11 | C12 | 124.5° | 119.9° |
| C10 | C11 | C16 | 117.5° | 119.8° |
| C11 | C10 | H10 | 108.6° | 109.5° |
| C11 | C10 | H10A | 108.6° | 109.5° |
| C12 | C11 | C16 | 117.9° | 120.2° |
| C11 | C12 | C13 | 120.8° | 120.2° |
| C11 | C12 | H12 | 119.6° | 119.9° |
| C11 | C16 | C15 | 122.1° | 120.0° |
| C11 | C16 | H16 | 118.9° | 120.0° |
| C12 | C13 | C14 | 119.6° | 120.0° |
| C12 | C13 | N17 | 119.3° | 120.0° |
| C13 | C12 | H12 | 119.6° | 119.9° |
| C14 | C13 | N17 | 121.1° | 120.0° |
| C13 | C14 | C15 | 120.0° | 119.7° |
| C13 | C14 | H14 | 120.0° | 120.1° |
| C13 | N17 | C18 | 126.4° | 120.0° |
| C13 | N17 | HN17 | 105.1° | 120.1° |
| C14 | C15 | C16 | 119.4° | 119.8° |
| C14 | C15 | C26 | 122.2° | 120.1° |
| C15 | C14 | H14 | 120.0° | 120.2° |
| C16 | C15 | C26 | 118.4° | 120.1° |
| C15 | C16 | H16 | 118.9° | 120.0° |
| C15 | C26 | N27 | 179.1° | 180.0° |
| N17 | C18 | C19 | 101.9° | 109.5° |
| C18 | N17 | HN17 | 105.1° | 119.9° |
| N17 | C18 | H18 | 111.3° | 109.4° |
| N17 | C18 | H18A | 111.3° | 109.5° |
| C18 | C19 | C20 | 119.9° | 109.5° |
| C19 | C18 | H18 | 111.3° | 109.5° |
| C19 | C18 | H18A | 111.3° | 109.5° |
| C18 | C19 | H19 | 106.8° | 109.5° |
| C18 | C19 | H19A | 106.8° | 109.5° |
| C19 | C20 | N21 | 116.7° | 119.6° |
| C19 | C20 | C25 | 123.7° | 119.6° |
| C20 | C19 | H19 | 106.8° | 109.5° |
| C20 | C19 | H19A | 106.8° | 109.4° |
| N21 | C20 | C25 | 119.6° | 120.8° |
| C20 | N21 | C22 | 121.9° | 121.7° |
| C20 | C25 | C24 | 119.8° | 119.1° |
| C20 | C25 | H25 | 120.1° | 120.5° |
| N21 | C22 | C23 | 118.9° | 120.8° |
| N21 | C22 | H22 | 120.5° | 119.6° |
| C22 | C23 | C24 | 119.2° | 119.2° |
| C23 | C22 | H22 | 120.5° | 119.6° |
| C22 | C23 | H23 | 120.4° | 120.5° |
| C23 | C24 | C25 | 120.6° | 118.4° |
| C24 | C23 | H23 | 120.4° | 120.4° |
| C23 | C24 | H24 | 119.7° | 120.8° |
| C25 | C24 | H24 | 119.7° | 120.8° |
| C24 | C25 | H25 | 120.1° | 120.4° |
| HN07 | N07 | HN0A | 109.5° | 120.0° |
| H08 | C08 | H08A | 109.4° | 109.5° |
| H08 | C08 | H08B | 109.5° | 109.5° |
| H08A | C08 | H08B | 109.5° | 109.5° |
| H09 | C09 | H09A | 109.5° | 109.5° |
| H10 | C10 | H10A | 109.4° | 109.4° |
| H18 | C18 | H18A | 109.5° | 109.4° |
| H19 | C19 | H19A | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | C03 | N07 | 179.9° | 180.0° |
| N01 | C02 | C03 | C04 | 0.4° | 0.0° |
| C02 | N01 | C06 | C05 | 1.0° | 0.0° |
| C02 | N01 | C06 | C09 | 178.9° | 180.0° |
| N01 | C02 | C03 | H03 | 179.6° | 180.0° |
| N01 | C02 | N07 | HN07 | 0.0° | 0.0° |
| N01 | C02 | N07 | HN0A | 120.0° | 180.0° |
| C06 | N01 | C02 | C03 | 0.9° | 0.0° |
| C06 | N01 | C02 | N07 | 179.2° | 180.0° |
| N01 | C06 | C05 | C04 | 0.5° | 0.0° |
| N01 | C06 | C05 | C09 | 177.7° | 180.0° |
| N01 | C06 | C09 | C10 | 136.0° | 55.0° |
| N01 | C06 | C05 | H05 | 179.4° | 180.0° |
| N01 | C06 | C09 | H09 | 15.1° | 65.0° |
| N01 | C06 | C09 | H09A | 103.1° | 175.0° |
| C02 | C03 | C04 | H03 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.0° | 0.0° |
| C02 | C03 | C04 | C08 | 179.3° | 180.0° |
| C03 | C02 | N07 | HN07 | 179.9° | 180.0° |
| C03 | C02 | N07 | HN0A | 60.1° | 0.1° |
| N07 | C02 | C03 | C04 | 179.7° | 180.0° |
| N07 | C02 | C03 | H03 | 0.3° | 0.0° |
| C02 | N07 | HN07 | HN0A | 120.0° | 179.9° |
| C03 | C04 | C05 | C08 | 179.3° | 179.9° |
| C03 | C04 | C05 | C06 | 0.1° | 0.0° |
| C03 | C04 | C05 | H05 | 179.9° | 179.9° |
| C03 | C04 | C08 | H08 | 89.7° | 90.0° |
| C03 | C04 | C08 | H08A | 150.3° | 150.0° |
| C03 | C04 | C08 | H08B | 30.3° | 30.0° |
| C04 | C05 | C06 | H05 | 180.0° | 179.9° |
| C04 | C05 | C06 | C09 | 178.3° | 180.0° |
| C05 | C04 | C03 | H03 | 180.0° | 180.0° |
| C05 | C04 | C08 | H08 | 89.6° | 90.0° |
| C05 | C04 | C08 | H08A | 30.3° | 29.9° |
| C05 | C04 | C08 | H08B | 150.3° | 149.9° |
| C08 | C04 | C05 | C06 | 179.2° | 179.9° |
| C08 | C04 | C03 | H03 | 0.7° | 0.1° |
| C08 | C04 | C05 | H05 | 0.8° | 0.0° |
| C04 | C08 | H08 | H08A | 120.0° | 120.0° |
| C04 | C08 | H08 | H08B | 120.0° | 120.0° |
| C04 | C08 | H08A | H08B | 120.0° | 120.0° |
| C05 | C06 | C09 | C10 | 46.2° | 125.0° |
| C05 | C06 | C09 | H09 | 167.1° | 115.0° |
| C05 | C06 | C09 | H09A | 74.7° | 5.0° |
| C06 | C09 | C10 | H09 | 120.9° | 120.0° |
| C06 | C09 | C10 | H09A | 120.9° | 120.0° |
| C06 | C09 | C10 | C11 | 179.8° | 180.0° |
| C09 | C06 | C05 | H05 | 1.7° | 0.1° |
| C06 | C09 | H09 | H09A | 117.1° | 120.0° |
| C06 | C09 | C10 | H10 | 59.3° | 60.0° |
| C06 | C09 | C10 | H10A | 59.7° | 59.9° |
| C09 | C10 | C11 | H10 | 120.5° | 120.0° |
| C09 | C10 | C11 | H10A | 120.5° | 120.0° |
| C09 | C10 | C11 | C12 | 26.4° | 90.0° |
| C09 | C10 | C11 | C16 | 155.6° | 90.3° |
| C10 | C09 | H09 | H09A | 117.1° | 120.0° |
| C09 | C10 | H10 | H10A | 118.5° | 120.0° |
| C10 | C11 | C12 | C16 | 178.0° | 179.7° |
| C10 | C11 | C12 | C13 | 179.5° | 180.0° |
| C10 | C11 | C16 | C15 | 179.0° | 179.8° |
| C11 | C10 | C09 | H09 | 59.3° | 60.0° |
| C11 | C10 | C09 | H09A | 58.9° | 60.0° |
| C11 | C10 | H10 | H10A | 118.4° | 120.0° |
| C10 | C11 | C12 | H12 | 0.5° | 0.1° |
| C10 | C11 | C16 | H16 | 1.0° | 0.1° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 3.6° | 0.0° |
| C11 | C12 | C13 | N17 | 179.1° | 180.0° |
| C12 | C11 | C16 | C15 | 0.8° | 0.6° |
| C12 | C11 | C10 | H10 | 146.9° | 30.0° |
| C12 | C11 | C10 | H10A | 94.1° | 149.9° |
| C12 | C11 | C16 | H16 | 179.2° | 179.8° |
| C16 | C11 | C12 | C13 | 2.5° | 0.3° |
| C11 | C16 | C15 | C14 | 0.3° | 0.5° |
| C11 | C16 | C15 | H16 | 180.0° | 179.7° |
| C11 | C16 | C15 | C26 | 179.9° | 179.7° |
| C16 | C11 | C10 | H10 | 35.0° | 149.7° |
| C16 | C11 | C10 | H10A | 83.9° | 29.7° |
| C16 | C11 | C12 | H12 | 177.5° | 179.7° |
| C12 | C13 | C14 | N17 | 177.2° | 180.0° |
| C12 | C13 | C14 | C15 | 3.1° | 0.0° |
| C12 | C13 | N17 | C18 | 179.6° | 180.0° |
| C12 | C13 | C14 | H14 | 176.9° | 180.0° |
| C12 | C13 | N17 | HN17 | 57.3° | 0.1° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 1.4° | 0.3° |
| C13 | C14 | C15 | C26 | 178.8° | 180.0° |
| C14 | C13 | N17 | C18 | 2.4° | 0.0° |
| C14 | C13 | C12 | H12 | 176.4° | 180.0° |
| C14 | C13 | N17 | HN17 | 119.9° | 179.9° |
| N17 | C13 | C14 | C15 | 179.7° | 180.0° |
| C13 | N17 | C18 | HN17 | 122.3° | 179.9° |
| C13 | N17 | C18 | C19 | 122.4° | 180.0° |
| N17 | C13 | C12 | H12 | 0.9° | 0.0° |
| N17 | C13 | C14 | H14 | 0.3° | 0.0° |
| C13 | N17 | C18 | H18 | 3.6° | 60.0° |
| C13 | N17 | C18 | H18A | 118.9° | 59.9° |
| C14 | C15 | C16 | C26 | 179.8° | 179.7° |
| C14 | C15 | C26 | N27 | 167.8° | 148.9° |
| C14 | C15 | C16 | H16 | 179.7° | 179.8° |
| C16 | C15 | C26 | N27 | 12.0° | 31.4° |
| C16 | C15 | C14 | H14 | 178.6° | 179.8° |
| C26 | C15 | C14 | H14 | 1.2° | 0.0° |
| C26 | C15 | C16 | H16 | 0.1° | 0.1° |
| N17 | C18 | C19 | H18 | 118.8° | 120.0° |
| N17 | C18 | C19 | H18A | 118.8° | 120.1° |
| N17 | C18 | C19 | C20 | 180.0° | 179.9° |
| N17 | C18 | H18 | H18A | 123.5° | 120.0° |
| N17 | C18 | C19 | H19 | 58.5° | 60.0° |
| N17 | C18 | C19 | H19A | 58.6° | 60.0° |
| C18 | C19 | C20 | H19 | 121.5° | 120.1° |
| C18 | C19 | C20 | H19A | 121.5° | 120.0° |
| C18 | C19 | C20 | N21 | 173.6° | 55.0° |
| C18 | C19 | C20 | C25 | 6.7° | 124.7° |
| C19 | C18 | N17 | HN17 | 115.4° | 0.1° |
| C19 | C18 | H18 | H18A | 123.5° | 120.0° |
| C18 | C19 | H19 | H19A | 115.3° | 120.0° |
| C19 | C20 | N21 | C25 | 179.8° | 179.7° |
| C19 | C20 | N21 | C22 | 179.4° | 180.0° |
| C19 | C20 | C25 | C24 | 179.7° | 179.8° |
| C20 | C19 | C18 | H18 | 61.3° | 60.0° |
| C20 | C19 | C18 | H18A | 61.2° | 60.0° |
| C20 | C19 | H19 | H19A | 115.3° | 119.9° |
| C19 | C20 | C25 | H25 | 0.3° | 0.0° |
| C20 | N21 | C22 | C23 | 0.3° | 0.0° |
| N21 | C20 | C25 | C24 | 0.0° | 0.6° |
| N21 | C20 | C19 | H19 | 52.1° | 175.0° |
| N21 | C20 | C19 | H19A | 64.9° | 65.0° |
| C20 | N21 | C22 | H22 | 179.6° | 180.0° |
| N21 | C20 | C25 | H25 | 180.0° | 179.7° |
| C25 | C20 | N21 | C22 | 0.3° | 0.3° |
| C20 | C25 | C24 | C23 | 0.2° | 0.5° |
| C20 | C25 | C24 | H25 | 180.0° | 179.7° |
| C25 | C20 | C19 | H19 | 128.1° | 4.6° |
| C25 | C20 | C19 | H19A | 114.8° | 115.3° |
| C20 | C25 | C24 | H24 | 179.8° | 179.7° |
| N21 | C22 | C23 | H22 | 180.0° | 179.9° |
| N21 | C22 | C23 | C24 | 0.1° | 0.1° |
| N21 | C22 | C23 | H23 | 179.9° | 179.9° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.2° | 0.2° |
| C22 | C23 | C24 | H24 | 179.8° | 180.0° |
| C23 | C24 | C25 | H24 | 180.0° | 179.8° |
| C24 | C23 | C22 | H22 | 179.9° | 180.0° |
| C23 | C24 | C25 | H25 | 179.7° | 179.7° |
| C25 | C24 | C23 | H23 | 179.8° | 179.8° |
| H08 | C08 | H08A | H08B | 120.0° | 120.0° |
| H09 | C09 | C10 | H10 | 179.8° | 180.0° |
| H09 | C09 | C10 | H10A | 61.2° | 60.1° |
| H09A | C09 | C10 | H10 | 61.6° | 60.0° |
| H09A | C09 | C10 | H10A | 179.4° | 179.9° |
| HN17 | N17 | C18 | H18 | 125.9° | 120.1° |
| HN17 | N17 | C18 | H18A | 3.4° | 119.9° |
| H18 | C18 | C19 | H19 | 177.3° | 180.0° |
| H18 | C18 | C19 | H19A | 60.2° | 60.0° |
| H18A | C18 | C19 | H19 | 60.2° | 60.1° |
| H18A | C18 | C19 | H19A | 177.3° | 180.0° |
| H22 | C22 | C23 | H23 | 0.1° | 0.0° |
| H23 | C23 | C24 | H24 | 0.2° | 0.0° |
| H24 | C24 | C25 | H25 | 0.3° | 0.1° |
