6NH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.40Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | C7 | sing | 1.48Å | 1.40Å | |
| C2 | C3 | sing | 1.37Å | 1.39Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.41Å | 1.37Å | Aromatic |
| C4 | N3 | sing | 1.38Å | 1.31Å | Aromatic |
| C5 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | N4 | sing | 1.36Å | 1.34Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | N1 | sing | 1.38Å | 1.32Å | |
| C7 | N2 | doub | 1.30Å | 1.35Å | |
| N1 | HN11 | sing | 0.97Å | 1.00Å | |
| N1 | HN12 | sing | 0.97Å | 1.00Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N3 | C8 | sing | 1.37Å | 1.35Å | Aromatic |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| N4 | C8 | doub | 1.31Å | 1.35Å | Aromatic |
| C8 | C5' | sing | 1.48Å | 1.42Å | Aromatic |
| C5' | C4' | sing | 1.41Å | 1.39Å | Aromatic |
| C5' | N1' | doub | 1.32Å | 1.33Å | Aromatic |
| C4' | O4' | sing | 1.36Å | 1.38Å | |
| C4' | C3' | doub | 1.37Å | 1.40Å | Aromatic |
| O4' | H4' | sing | 0.97Å | 0.95Å | |
| C3' | N2' | sing | 1.37Å | 1.34Å | Aromatic |
| C3' | C1B | sing | 1.48Å | 1.41Å | Aromatic |
| N2' | N1' | sing | 1.40Å | 1.45Å | Aromatic |
| N2' | H2' | sing | 0.97Å | 1.00Å | |
| C1B | C2B | doub | 1.40Å | 1.40Å | Aromatic |
| C1B | C6B | sing | 1.40Å | 1.39Å | Aromatic |
| C2B | C3B | sing | 1.38Å | 1.39Å | Aromatic |
| C2B | H2B | sing | 1.08Å | 1.08Å | |
| C3B | C4B | doub | 1.38Å | 1.39Å | Aromatic |
| C3B | H3B | sing | 1.08Å | 1.08Å | |
| C4B | C5B | sing | 1.38Å | 1.40Å | Aromatic |
| C4B | H4B | sing | 1.08Å | 1.08Å | |
| C5B | C6B | doub | 1.38Å | 1.41Å | Aromatic |
| C5B | H5B | sing | 1.08Å | 1.08Å | |
| C6B | H6B | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 123.4° | 120.2° |
| C2 | C1 | C7 | 117.7° | 119.9° |
| C1 | C2 | C3 | 118.7° | 120.5° |
| C1 | C2 | H2 | 120.6° | 119.7° |
| C6 | C1 | C7 | 118.9° | 119.9° |
| C1 | C6 | C5 | 116.3° | 119.5° |
| C1 | C6 | H6 | 121.8° | 120.3° |
| C1 | C7 | N1 | 119.4° | 120.0° |
| C1 | C7 | N2 | 122.3° | 120.0° |
| C3 | C2 | H2 | 120.6° | 119.8° |
| C2 | C3 | C4 | 117.1° | 120.1° |
| C2 | C3 | H3 | 121.5° | 119.9° |
| C4 | C3 | H3 | 121.4° | 119.9° |
| C3 | C4 | C5 | 124.3° | 120.2° |
| C3 | C4 | N3 | 125.0° | 133.7° |
| C5 | C4 | N3 | 110.7° | 106.2° |
| C4 | C5 | C6 | 120.2° | 119.5° |
| C4 | C5 | N4 | 110.7° | 107.2° |
| C4 | N3 | C8 | 100.9° | 107.3° |
| C4 | N3 | HN3 | 129.6° | 126.4° |
| C6 | C5 | N4 | 129.1° | 133.3° |
| C5 | C6 | H6 | 121.9° | 120.2° |
| C5 | N4 | C8 | 99.6° | 109.6° |
| N1 | C7 | N2 | 118.3° | 120.0° |
| C7 | N1 | HN11 | 125.2° | 120.0° |
| C7 | N1 | HN12 | 109.7° | 120.0° |
| C7 | N2 | HN2 | 109.6° | 120.0° |
| HN11 | N1 | HN12 | 125.1° | 120.0° |
| C8 | N3 | HN3 | 129.5° | 126.4° |
| N3 | C8 | N4 | 118.1° | 109.8° |
| N3 | C8 | C5' | 118.8° | 125.1° |
| N4 | C8 | C5' | 122.9° | 125.1° |
| C8 | C5' | C4' | 122.5° | 125.9° |
| C8 | C5' | N1' | 126.9° | 125.8° |
| C4' | C5' | N1' | 110.6° | 108.3° |
| C5' | C4' | O4' | 123.7° | 126.1° |
| C5' | C4' | C3' | 104.3° | 107.7° |
| C5' | N1' | N2' | 108.2° | 108.5° |
| O4' | C4' | C3' | 132.0° | 126.1° |
| C4' | O4' | H4' | 109.5° | 106.8° |
| C4' | C3' | N2' | 112.2° | 107.5° |
| C4' | C3' | C1B | 121.9° | 126.2° |
| N2' | C3' | C1B | 125.6° | 126.3° |
| C3' | N2' | N1' | 104.7° | 108.1° |
| C3' | N2' | H2' | 127.7° | 126.0° |
| C3' | C1B | C2B | 120.0° | 120.1° |
| C3' | C1B | C6B | 118.5° | 120.1° |
| N1' | N2' | H2' | 127.6° | 126.0° |
| C2B | C1B | C6B | 121.5° | 119.7° |
| C1B | C2B | C3B | 119.2° | 119.9° |
| C1B | C2B | H2B | 120.4° | 120.1° |
| C1B | C6B | C5B | 118.2° | 119.8° |
| C1B | C6B | H6B | 120.9° | 120.0° |
| C3B | C2B | H2B | 120.4° | 120.0° |
| C2B | C3B | C4B | 120.4° | 120.1° |
| C2B | C3B | H3B | 119.8° | 119.9° |
| C4B | C3B | H3B | 119.8° | 120.0° |
| C3B | C4B | C5B | 120.1° | 120.3° |
| C3B | C4B | H4B | 119.9° | 119.8° |
| C5B | C4B | H4B | 119.9° | 119.9° |
| C4B | C5B | C6B | 120.4° | 120.2° |
| C4B | C5B | H5B | 119.8° | 119.9° |
| C6B | C5B | H5B | 119.8° | 120.0° |
| C5B | C6B | H6B | 120.9° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C7 | 178.5° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.0° | 0.1° |
| C1 | C2 | C3 | H3 | 180.0° | 179.9° |
| C2 | C1 | C6 | C5 | 1.0° | 0.6° |
| C2 | C1 | C6 | H6 | 179.1° | 179.6° |
| C2 | C1 | C7 | N1 | 173.7° | 0.0° |
| C2 | C1 | C7 | N2 | 8.8° | 179.9° |
| C6 | C1 | C2 | C3 | 0.8° | 0.3° |
| C6 | C1 | C2 | H2 | 179.2° | 179.7° |
| C1 | C6 | C5 | C4 | 0.5° | 0.5° |
| C1 | C6 | C5 | H6 | 180.0° | 179.8° |
| C1 | C6 | C5 | N4 | 177.7° | 179.8° |
| C6 | C1 | C7 | N1 | 7.7° | 179.7° |
| C6 | C1 | C7 | N2 | 169.8° | 0.2° |
| C7 | C1 | C2 | C3 | 177.8° | 180.0° |
| C7 | C1 | C2 | H2 | 2.2° | 0.1° |
| C7 | C1 | C6 | C5 | 177.5° | 179.8° |
| C7 | C1 | C6 | H6 | 2.4° | 0.1° |
| C1 | C7 | N1 | N2 | 177.6° | 179.9° |
| C1 | C7 | N1 | HN11 | 0.0° | 0.1° |
| C1 | C7 | N1 | HN12 | 180.0° | 179.7° |
| C1 | C7 | N2 | HN2 | 1.3° | 180.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C2 | C3 | C4 | N3 | 178.2° | 180.0° |
| H2 | C2 | C3 | C4 | 180.0° | 180.0° |
| H2 | C2 | C3 | H3 | 0.0° | 0.0° |
| C3 | C4 | C5 | N3 | 178.8° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.2° |
| C3 | C4 | C5 | N4 | 178.7° | 180.0° |
| C3 | C4 | N3 | C8 | 178.9° | 180.0° |
| C3 | C4 | N3 | HN3 | 1.0° | 0.0° |
| H3 | C3 | C4 | C5 | 179.6° | 180.0° |
| H3 | C3 | C4 | N3 | 1.8° | 0.0° |
| C4 | C5 | C6 | N4 | 178.2° | 179.7° |
| C4 | C5 | C6 | H6 | 179.6° | 179.7° |
| C5 | C4 | N3 | C8 | 0.1° | 0.0° |
| C5 | C4 | N3 | HN3 | 179.9° | 180.0° |
| C4 | C5 | N4 | C8 | 0.3° | 0.0° |
| N3 | C4 | C5 | C6 | 178.6° | 179.8° |
| N3 | C4 | C5 | N4 | 0.1° | 0.0° |
| C4 | N3 | C8 | HN3 | 180.0° | 180.0° |
| C4 | N3 | C8 | N4 | 0.3° | 0.0° |
| C4 | N3 | C8 | C5' | 176.0° | 180.0° |
| C6 | C5 | N4 | C8 | 178.6° | 179.8° |
| N4 | C5 | C6 | H6 | 2.2° | 0.0° |
| C5 | N4 | C8 | N3 | 0.4° | 0.0° |
| C5 | N4 | C8 | C5' | 175.8° | 180.0° |
| C7 | N1 | HN11 | HN12 | 180.0° | 179.6° |
| N1 | C7 | N2 | HN2 | 178.9° | 0.1° |
| N2 | C7 | N1 | HN11 | 177.6° | 180.0° |
| N2 | C7 | N1 | HN12 | 2.4° | 0.4° |
| N3 | C8 | N4 | C5' | 175.5° | 180.0° |
| N3 | C8 | C5' | C4' | 2.4° | 179.7° |
| N3 | C8 | C5' | N1' | 178.3° | 0.0° |
| HN3 | N3 | C8 | N4 | 179.7° | 180.0° |
| HN3 | N3 | C8 | C5' | 4.0° | 0.0° |
| N4 | C8 | C5' | C4' | 173.1° | 0.3° |
| N4 | C8 | C5' | N1' | 6.3° | 179.9° |
| C8 | C5' | C4' | N1' | 179.5° | 179.7° |
| C8 | C5' | C4' | O4' | 3.8° | 0.3° |
| C8 | C5' | C4' | C3' | 176.9° | 179.9° |
| C8 | C5' | N1' | N2' | 177.0° | 180.0° |
| C5' | C4' | O4' | C3' | 179.1° | 179.6° |
| C5' | C4' | O4' | H4' | 29.5° | 90.4° |
| C5' | C4' | C3' | N2' | 1.8° | 0.4° |
| C5' | C4' | C3' | C1B | 175.7° | 179.8° |
| C4' | C5' | N1' | N2' | 2.4° | 0.3° |
| N1' | C5' | C4' | O4' | 176.8° | 180.0° |
| N1' | C5' | C4' | C3' | 2.6° | 0.4° |
| C5' | N1' | N2' | C3' | 1.2° | 0.0° |
| C5' | N1' | N2' | H2' | 178.8° | 180.0° |
| O4' | C4' | C3' | N2' | 177.5° | 180.0° |
| O4' | C4' | C3' | C1B | 3.5° | 0.2° |
| C3' | C4' | O4' | H4' | 149.6° | 90.1° |
| C4' | C3' | N2' | C1B | 173.7° | 179.8° |
| C4' | C3' | N2' | N1' | 0.4° | 0.2° |
| C4' | C3' | N2' | H2' | 179.6° | 179.7° |
| C4' | C3' | C1B | C2B | 34.1° | 134.7° |
| C4' | C3' | C1B | C6B | 146.5° | 45.0° |
| C3' | N2' | N1' | H2' | 180.0° | 179.9° |
| N2' | C3' | C1B | C2B | 139.0° | 45.0° |
| N2' | C3' | C1B | C6B | 40.4° | 135.2° |
| C1B | C3' | N2' | N1' | 174.1° | 180.0° |
| C1B | C3' | N2' | H2' | 5.9° | 0.1° |
| C3' | C1B | C2B | C6B | 179.3° | 179.7° |
| C3' | C1B | C2B | C3B | 179.1° | 180.0° |
| C3' | C1B | C2B | H2B | 0.8° | 0.1° |
| C3' | C1B | C6B | C5B | 179.2° | 179.7° |
| C3' | C1B | C6B | H6B | 0.8° | 0.2° |
| C1B | C2B | C3B | H2B | 180.0° | 180.0° |
| C1B | C2B | C3B | C4B | 0.3° | 0.0° |
| C1B | C2B | C3B | H3B | 179.7° | 179.9° |
| C2B | C1B | C6B | C5B | 0.1° | 0.5° |
| C2B | C1B | C6B | H6B | 179.9° | 180.0° |
| C6B | C1B | C2B | C3B | 0.2° | 0.2° |
| C6B | C1B | C2B | H2B | 179.8° | 179.8° |
| C1B | C6B | C5B | C4B | 0.1° | 0.5° |
| C1B | C6B | C5B | H6B | 180.0° | 179.5° |
| C1B | C6B | C5B | H5B | 179.9° | 179.7° |
| C2B | C3B | C4B | H3B | 180.0° | 179.9° |
| C2B | C3B | C4B | C5B | 0.2° | 0.0° |
| C2B | C3B | C4B | H4B | 179.8° | 179.9° |
| H2B | C2B | C3B | C4B | 179.8° | 179.9° |
| H2B | C2B | C3B | H3B | 0.3° | 0.0° |
| C3B | C4B | C5B | H4B | 180.0° | 180.0° |
| C3B | C4B | C5B | C6B | 0.2° | 0.3° |
| C3B | C4B | C5B | H5B | 179.8° | 180.0° |
| H3B | C3B | C4B | C5B | 179.7° | 179.9° |
| H3B | C3B | C4B | H4B | 0.3° | 0.0° |
| C4B | C5B | C6B | H5B | 180.0° | 179.7° |
| C4B | C5B | C6B | H6B | 179.9° | 180.0° |
| H4B | C4B | C5B | C6B | 179.8° | 179.8° |
| H4B | C4B | C5B | H5B | 0.2° | 0.0° |
| H5B | C5B | C6B | H6B | 0.1° | 0.2° |
