KP2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C9 | sing | 1.38Å | 1.33Å | |
| N2 | C9 | doub | 1.33Å | 1.35Å | Aromatic |
| N2 | C10 | sing | 1.33Å | 1.35Å | Aromatic |
| C9 | C8 | sing | 1.40Å | 1.36Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| N3 | C10 | sing | 1.39Å | 1.30Å | |
| C10 | N4 | doub | 1.32Å | 1.34Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.47Å | 1.37Å | Aromatic |
| C8 | C11 | doub | 1.40Å | 1.37Å | Aromatic |
| C6 | C7 | sing | 1.48Å | 1.36Å | |
| C6 | C5 | doub | 1.39Å | 1.41Å | Aromatic |
| C7 | C12 | doub | 1.36Å | 1.36Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| N4 | C11 | sing | 1.33Å | 1.34Å | Aromatic |
| C11 | N5 | sing | 1.37Å | 1.34Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | N5 | sing | 1.37Å | 1.33Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N1 | H6 | sing | 0.97Å | 1.00Å | |
| N1 | H7 | sing | 0.97Å | 1.00Å | |
| N3 | H8 | sing | 0.97Å | 1.00Å | |
| N3 | H9 | sing | 0.97Å | 1.00Å | |
| N5 | H10 | sing | 0.97Å | 1.00Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C9 | N2 | 120.8° | 120.8° |
| N1 | C9 | C8 | 117.1° | 120.8° |
| C9 | N1 | H6 | 109.5° | 120.0° |
| C9 | N1 | H7 | 109.5° | 120.0° |
| C9 | N2 | C10 | 118.2° | 121.0° |
| N2 | C9 | C8 | 122.1° | 118.4° |
| N2 | C10 | N3 | 125.1° | 118.8° |
| N2 | C10 | N4 | 121.7° | 122.5° |
| C9 | C8 | C7 | 137.4° | 135.0° |
| C9 | C8 | C11 | 117.4° | 118.9° |
| C2 | C1 | C6 | 122.7° | 119.9° |
| C1 | C2 | C3 | 121.3° | 120.1° |
| C2 | C1 | H1 | 118.6° | 120.1° |
| C1 | C2 | H2 | 119.4° | 119.9° |
| C1 | C6 | C7 | 124.6° | 120.1° |
| C1 | C6 | C5 | 114.7° | 119.8° |
| C6 | C1 | H1 | 118.7° | 120.1° |
| N3 | C10 | N4 | 113.2° | 118.7° |
| C10 | N3 | H8 | 109.5° | 120.0° |
| C10 | N3 | H9 | 109.5° | 120.1° |
| C10 | N4 | C11 | 119.4° | 120.6° |
| C2 | C3 | C4 | 117.2° | 120.3° |
| C3 | C2 | H2 | 119.3° | 120.0° |
| C2 | C3 | H3 | 121.4° | 119.9° |
| C7 | C8 | C11 | 105.0° | 106.2° |
| C8 | C7 | C6 | 134.3° | 126.7° |
| C8 | C7 | C12 | 107.4° | 106.5° |
| C8 | C11 | N4 | 121.2° | 118.6° |
| C8 | C11 | N5 | 111.2° | 107.4° |
| C7 | C6 | C5 | 119.4° | 120.1° |
| C6 | C7 | C12 | 117.4° | 126.8° |
| C6 | C5 | C4 | 123.0° | 119.9° |
| C6 | C5 | H5 | 118.5° | 120.0° |
| C7 | C12 | N5 | 110.5° | 109.6° |
| C7 | C12 | H11 | 124.8° | 125.2° |
| C3 | C4 | C5 | 120.7° | 120.1° |
| C4 | C3 | H3 | 121.4° | 119.8° |
| C3 | C4 | H4 | 119.6° | 120.0° |
| N4 | C11 | N5 | 127.6° | 134.0° |
| C11 | N5 | C12 | 105.8° | 110.3° |
| C11 | N5 | H10 | 127.1° | 124.8° |
| C5 | C4 | H4 | 119.7° | 119.9° |
| C4 | C5 | H5 | 118.5° | 120.1° |
| C12 | N5 | H10 | 127.1° | 124.9° |
| N5 | C12 | H11 | 124.7° | 125.2° |
| H6 | N1 | H7 | 109.5° | 119.9° |
| H8 | N3 | H9 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C9 | N2 | C8 | 178.6° | 179.9° |
| N1 | C9 | N2 | C10 | 178.3° | 180.0° |
| N1 | C9 | C8 | C7 | 3.3° | 0.1° |
| N1 | C9 | C8 | C11 | 177.5° | 179.9° |
| C9 | N1 | H6 | H7 | 120.0° | 180.0° |
| C9 | N2 | C10 | N3 | 179.5° | 180.0° |
| C9 | N2 | C10 | N4 | 0.5° | 0.1° |
| N2 | C9 | C8 | C7 | 175.4° | 180.0° |
| N2 | C9 | C8 | C11 | 1.2° | 0.0° |
| N2 | C9 | N1 | H6 | 0.0° | 179.9° |
| N2 | C9 | N1 | H7 | 120.0° | 0.1° |
| C10 | N2 | C9 | C8 | 0.3° | 0.0° |
| N2 | C10 | N3 | N4 | 179.0° | 179.9° |
| N2 | C10 | N4 | C11 | 1.7° | 0.0° |
| N2 | C10 | N3 | H8 | 0.0° | 0.1° |
| N2 | C10 | N3 | H9 | 120.0° | 180.0° |
| C9 | C8 | C7 | C11 | 174.7° | 180.0° |
| C9 | C8 | C7 | C6 | 13.6° | 0.1° |
| C9 | C8 | C7 | C12 | 178.3° | 179.8° |
| C9 | C8 | C11 | N4 | 2.3° | 0.0° |
| C9 | C8 | C11 | N5 | 177.8° | 180.0° |
| C8 | C9 | N1 | H6 | 178.7° | 0.0° |
| C8 | C9 | N1 | H7 | 61.3° | 180.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C2 | C1 | C6 | C7 | 174.3° | 180.0° |
| C2 | C1 | C6 | C5 | 7.8° | 0.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.0° |
| C1 | C2 | C3 | H3 | 179.8° | 179.9° |
| C6 | C1 | C2 | C3 | 4.1° | 0.0° |
| C1 | C6 | C7 | C8 | 155.6° | 130.3° |
| C1 | C6 | C7 | C5 | 166.0° | 180.0° |
| C1 | C6 | C7 | C12 | 37.3° | 50.1° |
| C1 | C6 | C5 | C4 | 7.8° | 0.0° |
| C6 | C1 | C2 | H2 | 175.9° | 180.0° |
| C1 | C6 | C5 | H5 | 172.2° | 180.0° |
| N3 | C10 | N4 | C11 | 179.3° | 180.0° |
| C10 | N3 | H8 | H9 | 120.0° | 179.9° |
| C10 | N4 | C11 | C8 | 2.6° | 0.0° |
| C10 | N4 | C11 | N5 | 177.6° | 179.9° |
| N4 | C10 | N3 | H8 | 179.0° | 180.0° |
| N4 | C10 | N3 | H9 | 60.9° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.2° | 0.0° |
| C3 | C2 | C1 | H1 | 175.9° | 179.7° |
| C2 | C3 | C4 | H4 | 179.8° | 180.0° |
| C8 | C7 | C6 | C12 | 167.2° | 179.6° |
| C8 | C7 | C6 | C5 | 38.5° | 49.7° |
| C7 | C8 | C11 | N4 | 178.3° | 180.0° |
| C7 | C8 | C11 | N5 | 1.9° | 0.0° |
| C8 | C7 | C12 | N5 | 4.3° | 0.4° |
| C8 | C7 | C12 | H11 | 175.7° | 179.7° |
| C11 | C8 | C7 | C6 | 171.7° | 179.9° |
| C11 | C8 | C7 | C12 | 3.6° | 0.2° |
| C8 | C11 | N4 | N5 | 179.8° | 179.9° |
| C8 | C11 | N5 | C12 | 0.7° | 0.3° |
| C8 | C11 | N5 | H10 | 179.3° | 180.0° |
| C7 | C6 | C5 | C4 | 175.1° | 180.0° |
| C6 | C7 | C12 | N5 | 174.7° | 179.9° |
| C7 | C6 | C1 | H1 | 5.6° | 0.3° |
| C7 | C6 | C5 | H5 | 4.9° | 0.0° |
| C6 | C7 | C12 | H11 | 5.3° | 0.0° |
| C5 | C6 | C7 | C12 | 128.7° | 129.9° |
| C6 | C5 | C4 | C3 | 4.1° | 0.0° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C5 | C6 | C1 | H1 | 172.2° | 179.7° |
| C6 | C5 | C4 | H4 | 176.0° | 180.0° |
| C7 | C12 | N5 | C11 | 3.0° | 0.4° |
| C7 | C12 | N5 | H11 | 180.0° | 179.9° |
| C7 | C12 | N5 | H10 | 176.9° | 179.8° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C4 | C3 | C2 | H2 | 179.8° | 180.0° |
| C3 | C4 | C5 | H5 | 176.0° | 180.0° |
| N4 | C11 | N5 | C12 | 179.2° | 179.8° |
| N4 | C11 | N5 | H10 | 0.9° | 0.1° |
| C11 | N5 | C12 | H10 | 180.0° | 179.7° |
| C11 | N5 | C12 | H11 | 176.9° | 179.7° |
| C5 | C4 | C3 | H3 | 179.8° | 180.0° |
| H1 | C1 | C2 | H2 | 4.1° | 0.3° |
| H2 | C2 | C3 | H3 | 0.2° | 0.1° |
| H3 | C3 | C4 | H4 | 0.2° | 0.1° |
| H4 | C4 | C5 | H5 | 4.0° | 0.1° |
| H10 | N5 | C12 | H11 | 3.1° | 0.1° |
