K0P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C11 | doub | 1.31Å | 1.36Å | Aromatic |
| N3 | N | sing | 1.40Å | 1.37Å | Aromatic |
| C1 | C | sing | 1.53Å | 1.53Å | |
| C1 | N | sing | 1.47Å | 1.47Å | |
| C11 | C3 | sing | 1.40Å | 1.43Å | Aromatic |
| N | C2 | sing | 1.35Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.35Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.47Å | |
| O | C5 | doub | 1.22Å | 1.23Å | |
| C4 | N1 | sing | 1.47Å | 1.50Å | |
| C5 | N1 | sing | 1.35Å | 1.43Å | |
| C5 | C6 | sing | 1.48Å | 1.48Å | |
| C7 | C6 | doub | 1.40Å | 1.41Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | C10 | sing | 1.40Å | 1.42Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | N2 | doub | 1.32Å | 1.35Å | Aromatic |
| C9 | N2 | sing | 1.32Å | 1.36Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C1 | H10 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C2 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | N3 | N | 105.4° | 108.2° |
| N3 | C11 | C3 | 109.9° | 108.2° |
| N3 | C11 | H12 | 125.1° | 125.9° |
| N3 | N | C1 | 121.9° | 126.0° |
| N3 | N | C2 | 112.2° | 107.9° |
| C | C1 | N | 112.2° | 109.4° |
| C1 | C | H7 | 109.5° | 109.5° |
| C1 | C | H8 | 109.5° | 109.5° |
| C1 | C | H9 | 109.5° | 109.5° |
| C | C1 | H10 | 108.8° | 109.5° |
| C | C1 | H11 | 108.8° | 109.5° |
| C1 | N | C2 | 125.9° | 126.0° |
| N | C1 | H10 | 108.8° | 109.5° |
| N | C1 | H11 | 108.8° | 109.5° |
| C11 | C3 | C2 | 106.9° | 107.9° |
| C11 | C3 | C4 | 125.7° | 126.0° |
| C3 | C11 | H12 | 125.1° | 125.9° |
| N | C2 | C3 | 105.6° | 107.8° |
| N | C2 | H13 | 127.2° | 126.1° |
| C2 | C3 | C4 | 127.4° | 126.1° |
| C3 | C2 | H13 | 127.2° | 126.1° |
| C3 | C4 | N1 | 112.0° | 109.5° |
| C3 | C4 | H2 | 108.8° | 109.5° |
| C3 | C4 | H3 | 108.8° | 109.5° |
| O | C5 | N1 | 122.2° | 120.0° |
| O | C5 | C6 | 116.6° | 120.0° |
| C4 | N1 | C5 | 123.2° | 120.0° |
| C4 | N1 | H1 | 118.4° | 120.0° |
| N1 | C4 | H2 | 108.9° | 109.5° |
| N1 | C4 | H3 | 108.8° | 109.4° |
| N1 | C5 | C6 | 121.2° | 120.0° |
| C5 | N1 | H1 | 118.4° | 119.9° |
| C5 | C6 | C7 | 118.5° | 120.6° |
| C5 | C6 | C10 | 123.0° | 120.6° |
| C6 | C7 | C8 | 119.7° | 118.3° |
| C7 | C6 | C10 | 118.5° | 118.9° |
| C6 | C7 | H4 | 120.2° | 120.8° |
| C7 | C8 | C9 | 118.0° | 119.3° |
| C8 | C7 | H4 | 120.2° | 120.8° |
| C7 | C8 | H5 | 121.0° | 120.4° |
| C6 | C10 | N2 | 121.6° | 120.6° |
| C6 | C10 | H6 | 119.2° | 119.7° |
| C8 | C9 | N2 | 124.6° | 121.1° |
| C9 | C8 | H5 | 121.0° | 120.3° |
| C8 | C9 | H14 | 117.7° | 119.5° |
| C10 | N2 | C9 | 117.5° | 121.9° |
| N2 | C10 | H6 | 119.2° | 119.7° |
| N2 | C9 | H14 | 117.7° | 119.4° |
| H2 | C4 | H3 | 109.4° | 109.4° |
| H7 | C | H8 | 109.5° | 109.5° |
| H7 | C | H9 | 109.4° | 109.5° |
| H8 | C | H9 | 109.5° | 109.4° |
| H10 | C1 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | N3 | N | C1 | 179.8° | 179.9° |
| N3 | C11 | C3 | H12 | 180.0° | 180.0° |
| C11 | N3 | N | C2 | 0.0° | 0.0° |
| N3 | C11 | C3 | C2 | 0.3° | 0.0° |
| N3 | C11 | C3 | C4 | 178.9° | 179.9° |
| N3 | N | C1 | C | 79.2° | 55.0° |
| N3 | N | C1 | C2 | 179.7° | 179.9° |
| N | N3 | C11 | C3 | 0.2° | 0.0° |
| N3 | N | C2 | C3 | 0.2° | 0.0° |
| N3 | N | C1 | H10 | 160.4° | 64.9° |
| N3 | N | C1 | H11 | 41.2° | 175.0° |
| N | N3 | C11 | H12 | 179.9° | 180.0° |
| N3 | N | C2 | H13 | 179.8° | 180.0° |
| C | C1 | N | H10 | 120.4° | 120.0° |
| C | C1 | N | H11 | 120.4° | 120.0° |
| C | C1 | N | C2 | 101.1° | 125.0° |
| C1 | C | H7 | H8 | 120.0° | 120.0° |
| C1 | C | H7 | H9 | 120.0° | 120.0° |
| C1 | C | H8 | H9 | 120.0° | 120.0° |
| C | C1 | H10 | H11 | 118.8° | 120.0° |
| C1 | N | C2 | C3 | 179.9° | 180.0° |
| N | C1 | C | H7 | 180.0° | 60.0° |
| N | C1 | C | H8 | 60.0° | 180.0° |
| N | C1 | C | H9 | 60.0° | 60.0° |
| N | C1 | H10 | H11 | 118.7° | 120.0° |
| C1 | N | C2 | H13 | 0.1° | 0.1° |
| C11 | C3 | C2 | N | 0.3° | 0.0° |
| C11 | C3 | C2 | C4 | 179.2° | 179.9° |
| C11 | C3 | C4 | N1 | 84.9° | 90.1° |
| C11 | C3 | C4 | H2 | 154.7° | 29.9° |
| C11 | C3 | C4 | H3 | 35.5° | 150.0° |
| C11 | C3 | C2 | H13 | 179.7° | 180.0° |
| N | C2 | C3 | H13 | 180.0° | 180.0° |
| N | C2 | C3 | C4 | 178.9° | 179.9° |
| C2 | N | C1 | H10 | 19.3° | 115.0° |
| C2 | N | C1 | H11 | 138.5° | 5.0° |
| C2 | C3 | C4 | N1 | 94.2° | 90.0° |
| C2 | C3 | C4 | H2 | 26.2° | 150.0° |
| C2 | C3 | C4 | H3 | 145.4° | 29.9° |
| C2 | C3 | C11 | H12 | 179.7° | 180.0° |
| C3 | C4 | N1 | H2 | 120.4° | 120.1° |
| C3 | C4 | N1 | H3 | 120.4° | 120.0° |
| C3 | C4 | N1 | C5 | 81.8° | 179.7° |
| C3 | C4 | N1 | H1 | 98.2° | 0.1° |
| C3 | C4 | H2 | H3 | 118.8° | 120.1° |
| C4 | C3 | C11 | H12 | 1.1° | 0.0° |
| C4 | C3 | C2 | H13 | 1.1° | 0.1° |
| O | C5 | N1 | C4 | 1.1° | 0.3° |
| O | C5 | N1 | C6 | 179.7° | 180.0° |
| O | C5 | C6 | C7 | 11.6° | 0.2° |
| O | C5 | C6 | C10 | 167.4° | 180.0° |
| O | C5 | N1 | H1 | 178.9° | 179.9° |
| C4 | N1 | C5 | H1 | 180.0° | 179.6° |
| C4 | N1 | C5 | C6 | 179.2° | 179.7° |
| N1 | C4 | H2 | H3 | 118.9° | 119.9° |
| N1 | C5 | C6 | C7 | 168.7° | 179.7° |
| N1 | C5 | C6 | C10 | 12.3° | 0.0° |
| C5 | N1 | C4 | H2 | 157.8° | 59.6° |
| C5 | N1 | C4 | H3 | 38.6° | 60.3° |
| C5 | C6 | C7 | C10 | 179.1° | 179.8° |
| C5 | C6 | C7 | C8 | 179.0° | 180.0° |
| C5 | C6 | C10 | N2 | 179.6° | 180.0° |
| C6 | C5 | N1 | H1 | 0.8° | 0.1° |
| C5 | C6 | C7 | H4 | 1.0° | 0.0° |
| C5 | C6 | C10 | H6 | 0.3° | 0.0° |
| C6 | C7 | C8 | H4 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 1.1° | 0.1° |
| C7 | C6 | C10 | N2 | 0.6° | 0.3° |
| C6 | C7 | C8 | H5 | 178.9° | 180.0° |
| C7 | C6 | C10 | H6 | 179.4° | 179.7° |
| C8 | C7 | C6 | C10 | 0.1° | 0.3° |
| C7 | C8 | C9 | H5 | 180.0° | 180.0° |
| C7 | C8 | C9 | N2 | 1.5° | 0.2° |
| C7 | C8 | C9 | H14 | 178.5° | 180.0° |
| C6 | C10 | N2 | H6 | 180.0° | 180.0° |
| C6 | C10 | N2 | C9 | 0.3° | 0.0° |
| C10 | C6 | C7 | H4 | 179.9° | 179.8° |
| C8 | C9 | N2 | C10 | 0.8° | 0.2° |
| C8 | C9 | N2 | H14 | 180.0° | 179.9° |
| C9 | C8 | C7 | H4 | 178.9° | 180.0° |
| C10 | N2 | C9 | H14 | 179.2° | 180.0° |
| N2 | C9 | C8 | H5 | 178.5° | 179.8° |
| C9 | N2 | C10 | H6 | 179.7° | 179.9° |
| H1 | N1 | C4 | H2 | 22.1° | 120.0° |
| H1 | N1 | C4 | H3 | 141.4° | 120.1° |
| H4 | C7 | C8 | H5 | 1.1° | 0.0° |
| H5 | C8 | C9 | H14 | 1.5° | 0.1° |
| H7 | C | H8 | H9 | 119.9° | 120.0° |
| H7 | C | C1 | H10 | 59.6° | 60.0° |
| H7 | C | C1 | H11 | 59.6° | 179.9° |
| H8 | C | C1 | H10 | 60.4° | 60.0° |
| H8 | C | C1 | H11 | 179.6° | 60.0° |
| H9 | C | C1 | H10 | 179.6° | 180.0° |
| H9 | C | C1 | H11 | 60.4° | 60.0° |
