K6P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C11 | sing | 1.53Å | 1.53Å | |
| C14 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | N2 | sing | 1.47Å | 1.48Å | |
| N2 | C10 | sing | 1.47Å | 1.46Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.52Å | |
| I1 | C4 | sing | 2.09Å | 2.10Å | |
| C8 | N1 | sing | 1.47Å | 1.46Å | |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.39Å | Aromatic |
| N1 | C7 | sing | 1.35Å | 1.34Å | |
| C3 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.50Å | |
| C6 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| C7 | O1 | doub | 1.22Å | 1.23Å | |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | H5 | sing | 0.97Å | 1.00Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| N2 | H12 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C11 | C14 | 109.9° | 109.5° |
| C13 | C11 | C12 | 109.5° | 109.5° |
| C13 | C11 | N2 | 108.5° | 109.5° |
| C11 | C13 | H16 | 109.5° | 109.5° |
| C11 | C13 | H17 | 109.5° | 109.5° |
| C11 | C13 | H18 | 109.5° | 109.5° |
| C14 | C11 | C12 | 110.0° | 109.4° |
| C14 | C11 | N2 | 111.5° | 109.4° |
| C11 | C14 | H19 | 109.5° | 109.5° |
| C11 | C14 | H20 | 109.5° | 109.5° |
| C11 | C14 | H21 | 109.4° | 109.4° |
| C12 | C11 | N2 | 107.3° | 109.5° |
| C11 | C12 | H13 | 109.5° | 109.5° |
| C11 | C12 | H14 | 109.5° | 109.5° |
| C11 | C12 | H15 | 109.5° | 109.5° |
| C11 | N2 | C10 | 117.9° | 111.0° |
| C11 | N2 | H12 | 107.3° | 111.1° |
| N2 | C10 | C9 | 113.0° | 109.5° |
| N2 | C10 | H11 | 108.6° | 109.5° |
| N2 | C10 | H10 | 108.6° | 109.5° |
| C10 | N2 | H12 | 107.3° | 110.9° |
| C10 | C9 | C8 | 115.4° | 109.5° |
| C9 | C10 | H11 | 108.6° | 109.5° |
| C9 | C10 | H10 | 108.5° | 109.4° |
| C10 | C9 | H9 | 108.0° | 109.5° |
| C10 | C9 | H8 | 108.0° | 109.4° |
| C9 | C8 | N1 | 113.6° | 109.4° |
| C9 | C8 | H7 | 108.5° | 109.5° |
| C9 | C8 | H6 | 108.4° | 109.5° |
| C8 | C9 | H9 | 108.0° | 109.5° |
| C8 | C9 | H8 | 108.0° | 109.5° |
| I1 | C4 | C5 | 120.7° | 119.9° |
| I1 | C4 | C3 | 118.8° | 120.0° |
| C8 | N1 | C7 | 121.8° | 120.0° |
| C8 | N1 | H5 | 119.1° | 120.0° |
| N1 | C8 | H7 | 108.4° | 109.5° |
| N1 | C8 | H6 | 108.4° | 109.4° |
| C5 | C4 | C3 | 120.5° | 120.1° |
| C4 | C5 | C6 | 120.2° | 119.8° |
| C4 | C5 | H4 | 119.9° | 120.0° |
| C4 | C3 | C2 | 119.1° | 120.3° |
| C4 | C3 | H3 | 120.4° | 119.9° |
| C5 | C6 | C7 | 124.4° | 120.2° |
| C5 | C6 | C1 | 119.0° | 119.7° |
| C6 | C5 | H4 | 119.9° | 120.1° |
| N1 | C7 | C6 | 118.4° | 120.0° |
| N1 | C7 | O1 | 121.4° | 120.0° |
| C7 | N1 | H5 | 119.1° | 120.1° |
| C3 | C2 | C1 | 120.7° | 120.2° |
| C3 | C2 | H2 | 119.7° | 119.9° |
| C2 | C3 | H3 | 120.4° | 119.8° |
| C7 | C6 | C1 | 116.6° | 120.1° |
| C6 | C7 | O1 | 120.1° | 120.0° |
| C6 | C1 | C2 | 120.4° | 119.8° |
| C6 | C1 | H1 | 119.8° | 120.0° |
| C2 | C1 | H1 | 119.8° | 120.1° |
| C1 | C2 | H2 | 119.7° | 119.9° |
| H7 | C8 | H6 | 109.4° | 109.5° |
| H11 | C10 | H10 | 109.5° | 109.4° |
| H16 | C13 | H17 | 109.5° | 109.5° |
| H16 | C13 | H18 | 109.5° | 109.5° |
| H17 | C13 | H18 | 109.5° | 109.4° |
| H13 | C12 | H14 | 109.4° | 109.5° |
| H13 | C12 | H15 | 109.5° | 109.4° |
| H14 | C12 | H15 | 109.5° | 109.5° |
| H19 | C14 | H20 | 109.5° | 109.5° |
| H19 | C14 | H21 | 109.5° | 109.4° |
| H20 | C14 | H21 | 109.5° | 109.5° |
| H9 | C9 | H8 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C11 | C14 | C12 | 120.7° | 120.0° |
| C13 | C11 | C14 | N2 | 120.4° | 120.0° |
| C13 | C11 | C12 | N2 | 117.6° | 120.0° |
| C13 | C11 | N2 | C10 | 78.2° | 60.0° |
| C11 | C13 | H16 | H17 | 120.0° | 120.0° |
| C11 | C13 | H16 | H18 | 120.0° | 120.1° |
| C11 | C13 | H17 | H18 | 120.0° | 120.0° |
| C13 | C11 | C12 | H13 | 180.0° | 60.0° |
| C13 | C11 | C12 | H14 | 60.0° | 180.0° |
| C13 | C11 | C12 | H15 | 60.0° | 60.0° |
| C13 | C11 | C14 | H19 | 180.0° | 60.0° |
| C13 | C11 | C14 | H20 | 60.0° | 180.0° |
| C13 | C11 | C14 | H21 | 60.0° | 59.9° |
| C13 | C11 | N2 | H12 | 43.0° | 176.1° |
| C14 | C11 | C12 | N2 | 121.5° | 119.9° |
| C14 | C11 | N2 | C10 | 43.0° | 180.0° |
| C14 | C11 | C13 | H16 | 180.0° | 180.0° |
| C14 | C11 | C13 | H17 | 60.0° | 60.0° |
| C14 | C11 | C13 | H18 | 60.0° | 60.0° |
| C14 | C11 | C12 | H13 | 59.1° | 60.0° |
| C14 | C11 | C12 | H14 | 179.1° | 60.0° |
| C14 | C11 | C12 | H15 | 60.9° | 180.0° |
| C11 | C14 | H19 | H20 | 120.0° | 120.0° |
| C11 | C14 | H19 | H21 | 120.0° | 119.9° |
| C11 | C14 | H20 | H21 | 120.0° | 120.0° |
| C14 | C11 | N2 | H12 | 164.2° | 56.0° |
| C12 | C11 | N2 | C10 | 163.5° | 60.0° |
| C12 | C11 | C13 | H16 | 59.0° | 60.0° |
| C12 | C11 | C13 | H17 | 179.0° | 180.0° |
| C12 | C11 | C13 | H18 | 61.0° | 60.0° |
| C11 | C12 | H13 | H14 | 120.0° | 120.1° |
| C11 | C12 | H13 | H15 | 120.0° | 120.0° |
| C11 | C12 | H14 | H15 | 120.0° | 120.0° |
| C12 | C11 | C14 | H19 | 59.3° | 180.0° |
| C12 | C11 | C14 | H20 | 60.7° | 60.0° |
| C12 | C11 | C14 | H21 | 179.3° | 60.1° |
| C12 | C11 | N2 | H12 | 75.2° | 63.9° |
| C11 | N2 | C10 | H12 | 121.2° | 124.0° |
| C11 | N2 | C10 | C9 | 171.5° | 180.0° |
| C11 | N2 | C10 | H11 | 68.0° | 60.0° |
| C11 | N2 | C10 | H10 | 51.0° | 60.0° |
| N2 | C11 | C13 | H16 | 57.8° | 60.0° |
| N2 | C11 | C13 | H17 | 62.2° | 60.0° |
| N2 | C11 | C13 | H18 | 177.8° | 180.0° |
| N2 | C11 | C12 | H13 | 62.4° | 180.0° |
| N2 | C11 | C12 | H14 | 57.6° | 60.0° |
| N2 | C11 | C12 | H15 | 177.6° | 60.1° |
| N2 | C11 | C14 | H19 | 59.6° | 60.0° |
| N2 | C11 | C14 | H20 | 179.6° | 60.0° |
| N2 | C11 | C14 | H21 | 60.4° | 180.0° |
| N2 | C10 | C9 | H11 | 120.5° | 120.1° |
| N2 | C10 | C9 | H10 | 120.5° | 120.0° |
| N2 | C10 | C9 | C8 | 19.4° | 180.0° |
| N2 | C10 | H11 | H10 | 118.4° | 120.0° |
| N2 | C10 | C9 | H9 | 140.2° | 59.9° |
| N2 | C10 | C9 | H8 | 101.5° | 60.0° |
| C10 | C9 | C8 | H9 | 120.9° | 120.0° |
| C10 | C9 | C8 | H8 | 120.9° | 120.0° |
| C10 | C9 | C8 | N1 | 82.3° | 180.0° |
| C10 | C9 | C8 | H7 | 157.1° | 60.0° |
| C10 | C9 | C8 | H6 | 38.3° | 60.0° |
| C9 | C10 | H11 | H10 | 118.4° | 119.9° |
| C10 | C9 | H9 | H8 | 117.3° | 119.9° |
| C9 | C10 | N2 | H12 | 50.3° | 56.1° |
| C9 | C8 | N1 | H7 | 120.6° | 120.0° |
| C9 | C8 | N1 | H6 | 120.6° | 120.0° |
| C9 | C8 | N1 | C7 | 174.8° | 180.0° |
| C9 | C8 | N1 | H5 | 5.2° | 0.2° |
| C9 | C8 | H7 | H6 | 118.1° | 120.0° |
| C8 | C9 | C10 | H11 | 101.1° | 59.9° |
| C8 | C9 | C10 | H10 | 139.9° | 60.0° |
| C8 | C9 | H9 | H8 | 117.3° | 120.0° |
| I1 | C4 | C5 | C3 | 178.9° | 179.8° |
| I1 | C4 | C5 | C6 | 180.0° | 179.7° |
| I1 | C4 | C3 | C2 | 179.6° | 179.7° |
| I1 | C4 | C5 | H4 | 0.0° | 0.2° |
| I1 | C4 | C3 | H3 | 0.4° | 0.2° |
| C8 | N1 | C7 | H5 | 180.0° | 179.8° |
| C8 | N1 | C7 | C6 | 60.6° | 179.8° |
| C8 | N1 | C7 | O1 | 118.6° | 0.3° |
| N1 | C8 | H7 | H6 | 118.1° | 120.0° |
| N1 | C8 | C9 | H9 | 38.5° | 60.0° |
| N1 | C8 | C9 | H8 | 156.8° | 60.0° |
| C4 | C5 | C6 | H4 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.7° | 0.1° |
| C4 | C5 | C6 | C7 | 179.2° | 179.9° |
| C4 | C5 | C6 | C1 | 0.9° | 0.0° |
| C5 | C4 | C3 | H3 | 179.3° | 180.0° |
| C3 | C4 | C5 | C6 | 1.1° | 0.1° |
| C4 | C3 | C2 | H3 | 180.0° | 179.9° |
| C4 | C3 | C2 | C1 | 0.1° | 0.0° |
| C3 | C4 | C5 | H4 | 178.9° | 180.0° |
| C4 | C3 | C2 | H2 | 179.9° | 180.0° |
| C5 | C6 | C7 | N1 | 28.4° | 180.0° |
| C5 | C6 | C7 | C1 | 179.9° | 179.9° |
| C5 | C6 | C7 | O1 | 152.3° | 0.1° |
| C5 | C6 | C1 | C2 | 0.3° | 0.0° |
| C5 | C6 | C1 | H1 | 179.7° | 180.0° |
| N1 | C7 | C6 | O1 | 179.2° | 179.9° |
| N1 | C7 | C6 | C1 | 151.4° | 0.1° |
| C7 | N1 | C8 | H7 | 54.1° | 60.0° |
| C7 | N1 | C8 | H6 | 64.6° | 60.0° |
| C3 | C2 | C1 | C6 | 0.1° | 0.0° |
| C3 | C2 | C1 | H2 | 180.0° | 180.0° |
| C3 | C2 | C1 | H1 | 179.9° | 180.0° |
| C7 | C6 | C1 | C2 | 179.8° | 179.9° |
| C6 | C7 | N1 | H5 | 119.4° | 0.0° |
| C7 | C6 | C5 | H4 | 0.7° | 0.1° |
| C7 | C6 | C1 | H1 | 0.2° | 0.1° |
| C1 | C6 | C7 | O1 | 27.8° | 180.0° |
| C6 | C1 | C2 | H1 | 180.0° | 180.0° |
| C1 | C6 | C5 | H4 | 179.1° | 180.0° |
| C6 | C1 | C2 | H2 | 179.9° | 180.0° |
| O1 | C7 | N1 | H5 | 61.4° | 179.9° |
| C1 | C2 | C3 | H3 | 179.9° | 180.0° |
| H5 | N1 | C8 | H7 | 125.9° | 120.2° |
| H5 | N1 | C8 | H6 | 115.4° | 119.8° |
| H7 | C8 | C9 | H9 | 82.1° | 180.0° |
| H7 | C8 | C9 | H8 | 36.2° | 60.0° |
| H6 | C8 | C9 | H9 | 159.2° | 60.0° |
| H6 | C8 | C9 | H8 | 82.6° | 180.0° |
| H11 | C10 | C9 | H9 | 19.7° | 180.0° |
| H11 | C10 | C9 | H8 | 138.0° | 60.1° |
| H11 | C10 | N2 | H12 | 170.8° | 64.0° |
| H10 | C10 | C9 | H9 | 99.2° | 60.1° |
| H10 | C10 | C9 | H8 | 19.0° | NaN° |
| H10 | C10 | N2 | H12 | 70.2° | 176.0° |
| H16 | C13 | H17 | H18 | 120.0° | 119.9° |
| H1 | C1 | C2 | H2 | 0.1° | 0.0° |
| H13 | C12 | H14 | H15 | 120.0° | 119.9° |
| H19 | C14 | H20 | H21 | 120.0° | 120.0° |
| H2 | C2 | C3 | H3 | 0.1° | 0.0° |
