KPN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.24Å | |
| C | C5' | sing | 1.51Å | 1.49Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| C1 | N1 | doub | 1.32Å | 1.33Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N1 | C5 | sing | 1.33Å | 1.35Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C2 | C8' | sing | 1.51Å | 1.55Å | |
| N2 | C6 | doub | 1.33Å | 1.34Å | Aromatic |
| N2 | C10 | sing | 1.32Å | 1.34Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.48Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N | C2' | sing | 1.47Å | 1.47Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C2' | C3' | sing | 1.53Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| C3' | N4' | sing | 1.46Å | 1.48Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C3' | H3'A | sing | 1.09Å | 1.10Å | |
| N4' | C5' | sing | 1.46Å | 1.49Å | |
| N4' | C7' | sing | 1.35Å | 1.34Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| C7' | O7' | doub | 1.21Å | 1.23Å | |
| C7' | C8' | sing | 1.51Å | 1.53Å | |
| C8' | H8' | sing | 1.09Å | 1.10Å | |
| C8' | H8'A | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C5' | 128.6° | 119.9° |
| O | C | OXT | 115.7° | 120.0° |
| C5' | C | OXT | 115.7° | 120.0° |
| C | C5' | N4' | 120.7° | 109.5° |
| C | C5' | H5' | 105.9° | 109.5° |
| C | C5' | H5'A | 105.9° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| N1 | C1 | C2 | 121.5° | 120.9° |
| N1 | C1 | H1 | 119.2° | 119.5° |
| C1 | N1 | C5 | 122.0° | 121.6° |
| C2 | C1 | H1 | 119.2° | 119.6° |
| C1 | C2 | C3 | 118.0° | 119.3° |
| C1 | C2 | C8' | 116.0° | 120.4° |
| N1 | C5 | C4 | 119.1° | 120.6° |
| N1 | C5 | C6 | 122.3° | 119.7° |
| C3 | C2 | C8' | 126.0° | 120.3° |
| C2 | C3 | C4 | 119.2° | 118.5° |
| C2 | C3 | H3 | 120.4° | 120.7° |
| C2 | C8' | C7' | 110.3° | 109.5° |
| C2 | C8' | H8' | 109.2° | 109.5° |
| C2 | C8' | H8'A | 109.2° | 109.4° |
| C6 | N2 | C10 | 125.8° | 121.7° |
| N2 | C6 | C5 | 122.3° | 119.8° |
| N2 | C6 | C7 | 117.1° | 120.5° |
| N2 | C10 | C9 | 118.2° | 120.9° |
| N2 | C10 | H10 | 120.9° | 119.6° |
| C4 | C3 | H3 | 120.4° | 120.8° |
| C3 | C4 | C5 | 120.2° | 119.1° |
| C3 | C4 | H4 | 119.9° | 120.5° |
| C5 | C4 | H4 | 119.9° | 120.4° |
| C4 | C5 | C6 | 118.6° | 119.7° |
| C5 | C6 | C7 | 120.6° | 119.7° |
| C6 | C7 | C8 | 119.4° | 119.0° |
| C6 | C7 | H7 | 120.3° | 120.4° |
| C8 | C7 | H7 | 120.3° | 120.5° |
| C7 | C8 | C9 | 121.0° | 118.5° |
| C7 | C8 | H8 | 119.5° | 120.7° |
| C9 | C8 | H8 | 119.5° | 120.7° |
| C8 | C9 | C10 | 117.2° | 119.3° |
| C8 | C9 | H9 | 121.4° | 120.3° |
| C10 | C9 | H9 | 121.4° | 120.3° |
| C9 | C10 | H10 | 120.9° | 119.5° |
| C2' | N | H | 109.5° | 111.0° |
| C2' | N | H2 | 109.4° | 111.0° |
| N | C2' | C3' | 116.3° | 109.5° |
| N | C2' | H2' | 107.3° | 109.4° |
| N | C2' | H2'A | 107.3° | 109.4° |
| H | N | H2 | 109.4° | 111.0° |
| C3' | C2' | H2' | 107.3° | 109.5° |
| C3' | C2' | H2'A | 107.2° | 109.5° |
| C2' | C3' | N4' | 112.1° | 109.5° |
| C2' | C3' | H3' | 108.6° | 109.5° |
| C2' | C3' | H3'A | 108.6° | 109.5° |
| H2' | C2' | H2'A | 111.6° | 109.5° |
| N4' | C3' | H3' | 108.6° | 109.5° |
| N4' | C3' | H3'A | 108.6° | 109.5° |
| C3' | N4' | C5' | 115.2° | 120.0° |
| C3' | N4' | C7' | 128.2° | 120.0° |
| H3' | C3' | H3'A | 110.3° | 109.5° |
| C5' | N4' | C7' | 114.9° | 120.0° |
| N4' | C5' | H5' | 105.9° | 109.4° |
| N4' | C5' | H5'A | 105.9° | 109.5° |
| N4' | C7' | O7' | 120.5° | 120.0° |
| N4' | C7' | C8' | 122.4° | 120.0° |
| H5' | C5' | H5'A | 112.8° | 109.5° |
| O7' | C7' | C8' | 116.6° | 120.0° |
| C7' | C8' | H8' | 109.2° | 109.5° |
| C7' | C8' | H8'A | 109.2° | 109.5° |
| H8' | C8' | H8'A | 109.8° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C5' | OXT | 180.0° | 179.7° |
| O | C | C5' | N4' | 149.7° | 0.0° |
| O | C | C5' | H5' | 29.7° | 120.0° |
| O | C | C5' | H5'A | 90.3° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | C5' | N4' | C3' | 124.9° | 90.0° |
| C | C5' | N4' | H5' | 120.0° | 120.0° |
| C | C5' | N4' | H5'A | 120.0° | 120.0° |
| C | C5' | N4' | C7' | 68.9° | 90.0° |
| C | C5' | H5' | H5'A | 115.3° | 120.0° |
| C5' | C | OXT | HXT | 180.0° | 179.7° |
| OXT | C | C5' | N4' | 30.3° | 179.7° |
| OXT | C | C5' | H5' | 150.3° | 59.7° |
| OXT | C | C5' | H5'A | 89.7° | 60.2° |
| N1 | C1 | C2 | H1 | 180.0° | 179.8° |
| N1 | C1 | C2 | C3 | 0.9° | 0.0° |
| N1 | C1 | C2 | C8' | 179.9° | 180.0° |
| C1 | N1 | C5 | C4 | 0.4° | 0.0° |
| C1 | N1 | C5 | C6 | 179.0° | 180.0° |
| C2 | C1 | N1 | C5 | 0.6° | 0.0° |
| C1 | C2 | C3 | C8' | 179.0° | 179.9° |
| C1 | C2 | C3 | C4 | 2.4° | 0.0° |
| C1 | C2 | C3 | H3 | 177.6° | 179.9° |
| C1 | C2 | C8' | C7' | 138.6° | 90.0° |
| C1 | C2 | C8' | H8' | 101.4° | 149.9° |
| C1 | C2 | C8' | H8'A | 18.6° | 30.0° |
| H1 | C1 | N1 | C5 | 179.4° | 179.8° |
| H1 | C1 | C2 | C3 | 179.1° | 179.7° |
| H1 | C1 | C2 | C8' | 0.1° | 0.2° |
| N1 | C5 | C6 | N2 | 172.0° | 180.0° |
| N1 | C5 | C4 | C3 | 1.2° | 0.0° |
| N1 | C5 | C4 | C6 | 179.5° | 180.0° |
| N1 | C5 | C4 | H4 | 178.8° | 180.0° |
| N1 | C5 | C6 | C7 | 4.8° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 2.7° | 0.0° |
| C2 | C3 | C4 | H4 | 177.3° | 180.0° |
| C3 | C2 | C8' | C7' | 40.4° | 90.1° |
| C3 | C2 | C8' | H8' | 79.6° | 30.0° |
| C3 | C2 | C8' | H8'A | 160.4° | 150.0° |
| C8' | C2 | C3 | C4 | 178.6° | 180.0° |
| C8' | C2 | C3 | H3 | 1.4° | 0.0° |
| C2 | C8' | C7' | N4' | 131.7° | 180.0° |
| C2 | C8' | C7' | O7' | 56.7° | 0.0° |
| C2 | C8' | C7' | H8' | 120.0° | 120.1° |
| C2 | C8' | C7' | H8'A | 120.0° | 119.9° |
| C2 | C8' | H8' | H8'A | 119.6° | 120.0° |
| N2 | C6 | C5 | C4 | 8.5° | 0.0° |
| N2 | C6 | C5 | C7 | 176.8° | 180.0° |
| N2 | C6 | C7 | C8 | 8.1° | 0.0° |
| N2 | C6 | C7 | H7 | 171.9° | 180.0° |
| C6 | N2 | C10 | C9 | 9.6° | 0.0° |
| C6 | N2 | C10 | H10 | 170.4° | 180.0° |
| C10 | N2 | C6 | C5 | 174.5° | 180.0° |
| C10 | N2 | C6 | C7 | 8.6° | 0.0° |
| N2 | C10 | C9 | C8 | 9.8° | 0.1° |
| N2 | C10 | C9 | H10 | 180.0° | 179.9° |
| N2 | C10 | C9 | H9 | 170.2° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 179.3° | 180.0° |
| H3 | C3 | C4 | C5 | 177.3° | 179.9° |
| H3 | C3 | C4 | H4 | 2.7° | 0.0° |
| C4 | C5 | C6 | C7 | 174.7° | 180.0° |
| H4 | C4 | C5 | C6 | 0.7° | 0.0° |
| C5 | C6 | C7 | C8 | 175.0° | 180.0° |
| C5 | C6 | C7 | H7 | 5.0° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 9.4° | 0.0° |
| C6 | C7 | C8 | H8 | 170.6° | 180.0° |
| C7 | C8 | C9 | H8 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 10.1° | 0.0° |
| C7 | C8 | C9 | H9 | 169.9° | 180.0° |
| H7 | C7 | C8 | C9 | 170.6° | 180.0° |
| H7 | C7 | C8 | H8 | 9.4° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | H10 | 170.2° | 180.0° |
| H8 | C8 | C9 | C10 | 169.9° | 180.0° |
| H8 | C8 | C9 | H9 | 10.1° | 0.0° |
| H9 | C9 | C10 | H10 | 9.8° | 0.0° |
| C2' | N | H | H2 | 120.0° | 123.9° |
| N | C2' | C3' | H2' | 120.0° | 120.0° |
| N | C2' | C3' | H2'A | 120.0° | 120.0° |
| N | C2' | H2' | H2'A | 117.2° | 119.9° |
| N | C2' | C3' | N4' | 69.4° | 180.0° |
| N | C2' | C3' | H3' | 50.6° | 60.0° |
| N | C2' | C3' | H3'A | 170.6° | 60.0° |
| H | N | C2' | C3' | 180.0° | 179.9° |
| H | N | C2' | H2' | 60.0° | 59.9° |
| H | N | C2' | H2'A | 60.0° | 60.0° |
| H2 | N | C2' | C3' | 60.0° | 56.0° |
| H2 | N | C2' | H2' | 60.0° | 64.0° |
| H2 | N | C2' | H2'A | 180.0° | 176.1° |
| C3' | C2' | H2' | H2'A | 117.2° | 120.1° |
| C2' | C3' | N4' | H3' | 120.0° | 120.0° |
| C2' | C3' | N4' | H3'A | 120.0° | 120.0° |
| C2' | C3' | H3' | H3'A | 118.9° | 120.0° |
| C2' | C3' | N4' | C5' | 70.0° | 90.0° |
| C2' | C3' | N4' | C7' | 94.0° | 90.0° |
| H2' | C2' | C3' | N4' | 170.6° | 60.1° |
| H2' | C2' | C3' | H3' | 69.4° | 180.0° |
| H2' | C2' | C3' | H3'A | 50.6° | 60.0° |
| H2'A | C2' | C3' | N4' | 50.6° | 60.0° |
| H2'A | C2' | C3' | H3' | 170.6° | 60.0° |
| H2'A | C2' | C3' | H3'A | 69.4° | 180.0° |
| N4' | C3' | H3' | H3'A | 118.9° | 120.0° |
| C3' | N4' | C5' | C7' | 166.2° | 180.0° |
| C3' | N4' | C5' | H5' | 115.1° | 30.0° |
| C3' | N4' | C5' | H5'A | 4.9° | 150.0° |
| C3' | N4' | C7' | O7' | 174.9° | 0.0° |
| C3' | N4' | C7' | C8' | 3.7° | 180.0° |
| H3' | C3' | N4' | C5' | 169.9° | 30.0° |
| H3' | C3' | N4' | C7' | 26.1° | 150.0° |
| H3'A | C3' | N4' | C5' | 49.9° | 150.0° |
| H3'A | C3' | N4' | C7' | 146.0° | 30.0° |
| N4' | C5' | H5' | H5'A | 115.3° | 120.0° |
| C5' | N4' | C7' | O7' | 10.9° | 180.0° |
| C5' | N4' | C7' | C8' | 160.4° | 0.0° |
| C7' | N4' | C5' | H5' | 51.1° | 150.0° |
| C7' | N4' | C5' | H5'A | 171.1° | 30.0° |
| N4' | C7' | O7' | C8' | 171.7° | 180.0° |
| N4' | C7' | C8' | H8' | 11.7° | 59.9° |
| N4' | C7' | C8' | H8'A | 108.3° | 60.0° |
| O7' | C7' | C8' | H8' | 176.7° | 120.1° |
| O7' | C7' | C8' | H8'A | 63.3° | 120.0° |
| C7' | C8' | H8' | H8'A | 119.7° | 120.0° |
