7NH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| N1 | C6 | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | sing | 1.39Å | 1.35Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | doub | 1.41Å | 1.34Å | Aromatic |
| C4 | N3 | sing | 1.37Å | 1.32Å | Aromatic |
| C5 | C6 | sing | 1.40Å | 1.37Å | Aromatic |
| C5 | CN4 | sing | 1.46Å | 1.34Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N3 | C8 | sing | 1.38Å | 1.32Å | Aromatic |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| CN4 | C8 | doub | 1.36Å | 1.38Å | Aromatic |
| CN4 | HN4 | sing | 1.08Å | 1.08Å | |
| C8 | C1' | sing | 1.48Å | 1.38Å | Aromatic |
| C1' | C2' | doub | 1.40Å | 1.39Å | Aromatic |
| C1' | C6' | sing | 1.40Å | 1.40Å | Aromatic |
| C2' | C3' | sing | 1.38Å | 1.37Å | Aromatic |
| C2' | H2' | sing | 1.08Å | 1.08Å | |
| C3' | C4' | doub | 1.38Å | 1.38Å | Aromatic |
| C3' | H3' | sing | 1.08Å | 1.08Å | |
| C4' | C5' | sing | 1.39Å | 1.40Å | Aromatic |
| C4' | H4' | sing | 1.08Å | 1.08Å | |
| C5' | C6' | doub | 1.40Å | 1.39Å | Aromatic |
| C5' | C1B | sing | 1.48Å | 1.38Å | Aromatic |
| C6' | O6' | sing | 1.36Å | 1.38Å | |
| O6' | H6' | sing | 0.97Å | 0.95Å | |
| C1B | C2B | doub | 1.39Å | 1.40Å | Aromatic |
| C1B | C6B | sing | 1.39Å | 1.40Å | 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 | 1.39Å | Aromatic |
| C4B | H4B | sing | 1.08Å | 1.08Å | |
| C5B | C6B | doub | 1.38Å | 1.38Å | Aromatic |
| C5B | C51 | sing | 1.51Å | 1.52Å | |
| C6B | H6B | sing | 1.08Å | 1.08Å | |
| C51 | N52 | sing | 1.46Å | 1.49Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C51 | H512 | sing | 1.09Å | 1.10Å | |
| N52 | C53 | sing | 1.35Å | 1.31Å | |
| N52 | H52 | sing | 0.97Å | 1.00Å | |
| C53 | O53 | doub | 1.22Å | 1.21Å | |
| C53 | N54 | sing | 1.35Å | 1.31Å | |
| N54 | H541 | sing | 0.97Å | 1.00Å | |
| N54 | H542 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 127.5° | 122.2° |
| N1 | C2 | C3 | 116.8° | 121.6° |
| N1 | C2 | H2 | 121.6° | 119.2° |
| N1 | C6 | C5 | 114.4° | 120.1° |
| N1 | C6 | H6 | 122.8° | 120.0° |
| C3 | C2 | H2 | 121.6° | 119.2° |
| C2 | C3 | C4 | 116.5° | 118.9° |
| C2 | C3 | H3 | 121.8° | 120.6° |
| C4 | C3 | H3 | 121.7° | 120.6° |
| C3 | C4 | C5 | 124.0° | 118.1° |
| C3 | C4 | N3 | 128.5° | 134.4° |
| C5 | C4 | N3 | 107.5° | 107.5° |
| C4 | C5 | C6 | 120.7° | 119.1° |
| C4 | C5 | CN4 | 107.6° | 106.2° |
| C4 | N3 | C8 | 111.7° | 109.9° |
| C4 | N3 | HN3 | 124.2° | 125.1° |
| C6 | C5 | CN4 | 131.7° | 134.7° |
| C5 | C6 | H6 | 122.8° | 119.9° |
| C5 | CN4 | C8 | 108.8° | 106.9° |
| C5 | CN4 | HN4 | 125.6° | 126.5° |
| C8 | N3 | HN3 | 124.2° | 125.1° |
| N3 | C8 | CN4 | 104.5° | 109.6° |
| N3 | C8 | C1' | 121.9° | 125.2° |
| C8 | CN4 | HN4 | 125.6° | 126.6° |
| CN4 | C8 | C1' | 133.6° | 125.2° |
| C8 | C1' | C2' | 118.5° | 120.1° |
| C8 | C1' | C6' | 123.4° | 120.1° |
| C2' | C1' | C6' | 118.1° | 119.8° |
| C1' | C2' | C3' | 121.5° | 120.1° |
| C1' | C2' | H2' | 119.3° | 119.9° |
| C1' | C6' | C5' | 122.0° | 119.6° |
| C1' | C6' | O6' | 119.1° | 120.2° |
| C3' | C2' | H2' | 119.3° | 119.9° |
| C2' | C3' | C4' | 119.2° | 120.4° |
| C2' | C3' | H3' | 120.4° | 119.8° |
| C4' | C3' | H3' | 120.4° | 119.8° |
| C3' | C4' | C5' | 121.8° | 120.2° |
| C3' | C4' | H4' | 119.1° | 119.9° |
| C5' | C4' | H4' | 119.1° | 119.9° |
| C4' | C5' | C6' | 117.4° | 119.8° |
| C4' | C5' | C1B | 119.2° | 120.1° |
| C6' | C5' | C1B | 123.3° | 120.1° |
| C5' | C6' | O6' | 118.9° | 120.2° |
| C5' | C1B | C2B | 121.6° | 120.1° |
| C5' | C1B | C6B | 120.6° | 120.1° |
| C6' | O6' | H6' | 109.5° | 106.8° |
| C2B | C1B | C6B | 117.8° | 119.8° |
| C1B | C2B | C3B | 121.5° | 119.9° |
| C1B | C2B | H2B | 119.3° | 120.1° |
| C1B | C6B | C5B | 121.4° | 119.9° |
| C1B | C6B | H6B | 119.3° | 120.0° |
| C3B | C2B | H2B | 119.2° | 120.0° |
| C2B | C3B | C4B | 119.2° | 120.2° |
| C2B | C3B | H3B | 120.4° | 119.9° |
| C4B | C3B | H3B | 120.4° | 119.9° |
| C3B | C4B | C5B | 120.4° | 120.2° |
| C3B | C4B | H4B | 119.8° | 119.9° |
| C5B | C4B | H4B | 119.8° | 119.9° |
| C4B | C5B | C6B | 119.7° | 120.1° |
| C4B | C5B | C51 | 120.2° | 120.0° |
| C6B | C5B | C51 | 120.1° | 119.9° |
| C5B | C6B | H6B | 119.3° | 120.1° |
| C5B | C51 | N52 | 111.8° | 109.5° |
| C5B | C51 | H511 | 108.2° | 109.4° |
| C5B | C51 | H512 | 108.7° | 109.5° |
| N52 | C51 | H511 | 108.1° | 109.5° |
| N52 | C51 | H512 | 108.7° | 109.5° |
| C51 | N52 | C53 | 121.4° | 120.0° |
| C51 | N52 | H52 | 119.3° | 120.0° |
| H511 | C51 | H512 | 111.4° | 109.4° |
| C53 | N52 | H52 | 119.3° | 120.0° |
| N52 | C53 | O53 | 123.2° | 120.0° |
| N52 | C53 | N54 | 118.6° | 120.0° |
| O53 | C53 | N54 | 118.2° | 119.9° |
| C53 | N54 | H541 | 124.5° | 120.0° |
| C53 | N54 | H542 | 111.1° | 120.0° |
| H541 | N54 | H542 | 124.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | C3 | H2 | 180.0° | 180.0° |
| N1 | C2 | C3 | C4 | 0.1° | 0.0° |
| N1 | C2 | C3 | H3 | 179.9° | 180.0° |
| C2 | N1 | C6 | C5 | 0.0° | 0.0° |
| C2 | N1 | C6 | H6 | 179.9° | 180.0° |
| C6 | N1 | C2 | C3 | 0.0° | 0.0° |
| C6 | N1 | C2 | H2 | 179.9° | 180.0° |
| N1 | C6 | C5 | C4 | 0.1° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 180.0° |
| N1 | C6 | C5 | CN4 | 179.8° | 179.7° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | N3 | 179.7° | 180.0° |
| H2 | C2 | C3 | C4 | 179.9° | 180.0° |
| H2 | C2 | C3 | H3 | 0.1° | 0.1° |
| C3 | C4 | C5 | N3 | 179.8° | 180.0° |
| C3 | C4 | C5 | C6 | 0.1° | 0.0° |
| C3 | C4 | C5 | CN4 | 179.9° | 179.8° |
| C3 | C4 | N3 | C8 | 179.7° | 180.0° |
| C3 | C4 | N3 | HN3 | 0.3° | 0.0° |
| H3 | C3 | C4 | C5 | 179.9° | 180.0° |
| H3 | C3 | C4 | N3 | 0.3° | 0.0° |
| C4 | C5 | C6 | CN4 | 179.7° | 179.7° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C5 | C4 | N3 | C8 | 0.1° | 0.0° |
| C5 | C4 | N3 | HN3 | 179.9° | 180.0° |
| C4 | C5 | CN4 | C8 | 0.2° | 0.4° |
| C4 | C5 | CN4 | HN4 | 179.8° | 179.7° |
| N3 | C4 | C5 | C6 | 179.7° | 180.0° |
| N3 | C4 | C5 | CN4 | 0.1° | 0.2° |
| C4 | N3 | C8 | HN3 | 180.0° | 179.9° |
| C4 | N3 | C8 | CN4 | 0.2° | 0.2° |
| C4 | N3 | C8 | C1' | 178.6° | 180.0° |
| C6 | C5 | CN4 | C8 | 179.6° | 179.9° |
| C6 | C5 | CN4 | HN4 | 0.4° | 0.0° |
| CN4 | C5 | C6 | H6 | 0.2° | 0.3° |
| C5 | CN4 | C8 | N3 | 0.2° | 0.4° |
| C5 | CN4 | C8 | HN4 | 180.0° | 179.9° |
| C5 | CN4 | C8 | C1' | 178.3° | 179.9° |
| N3 | C8 | CN4 | C1' | 178.6° | 179.8° |
| N3 | C8 | CN4 | HN4 | 179.8° | 179.7° |
| N3 | C8 | C1' | C2' | 175.1° | 40.0° |
| N3 | C8 | C1' | C6' | 5.4° | 140.2° |
| HN3 | N3 | C8 | CN4 | 179.8° | 179.7° |
| HN3 | N3 | C8 | C1' | 1.4° | 0.1° |
| CN4 | C8 | C1' | C2' | 3.3° | 139.7° |
| CN4 | C8 | C1' | C6' | 176.3° | 40.0° |
| HN4 | CN4 | C8 | C1' | 1.7° | 0.1° |
| C8 | C1' | C2' | C6' | 179.6° | 179.7° |
| C8 | C1' | C2' | C3' | 179.4° | 180.0° |
| C8 | C1' | C2' | H2' | 0.6° | 0.0° |
| C8 | C1' | C6' | C5' | 179.2° | 179.7° |
| C8 | C1' | C6' | O6' | 2.1° | 0.3° |
| C1' | C2' | C3' | H2' | 180.0° | 180.0° |
| C1' | C2' | C3' | C4' | 0.1° | 0.0° |
| C1' | C2' | C3' | H3' | 179.9° | 180.0° |
| C2' | C1' | C6' | C5' | 0.4° | 0.5° |
| C2' | C1' | C6' | O6' | 178.3° | 180.0° |
| C6' | C1' | C2' | C3' | 0.1° | 0.2° |
| C6' | C1' | C2' | H2' | 179.9° | 179.7° |
| C1' | C6' | C5' | C4' | 0.4° | 0.6° |
| C1' | C6' | C5' | O6' | 178.7° | 179.4° |
| C1' | C6' | C5' | C1B | 179.1° | 179.7° |
| C1' | C6' | O6' | H6' | 54.5° | 90.0° |
| C2' | C3' | C4' | H3' | 180.0° | 180.0° |
| C2' | C3' | C4' | C5' | 0.0° | 0.0° |
| C2' | C3' | C4' | H4' | 180.0° | 180.0° |
| H2' | C2' | C3' | C4' | 179.9° | 180.0° |
| H2' | C2' | C3' | H3' | 0.1° | 0.0° |
| C3' | C4' | C5' | H4' | 180.0° | 180.0° |
| C3' | C4' | C5' | C6' | 0.2° | 0.3° |
| C3' | C4' | C5' | C1B | 179.3° | 180.0° |
| H3' | C3' | C4' | C5' | 180.0° | 179.9° |
| H3' | C3' | C4' | H4' | 0.0° | 0.0° |
| C4' | C5' | C6' | C1B | 179.5° | 179.7° |
| C4' | C5' | C6' | O6' | 178.3° | 180.0° |
| C4' | C5' | C1B | C2B | 136.8° | 130.0° |
| C4' | C5' | C1B | C6B | 41.7° | 49.7° |
| H4' | C4' | C5' | C6' | 179.8° | 179.7° |
| H4' | C4' | C5' | C1B | 0.7° | 0.0° |
| C5' | C6' | O6' | H6' | 126.8° | 90.5° |
| C6' | C5' | C1B | C2B | 43.7° | 50.3° |
| C6' | C5' | C1B | C6B | 137.8° | 130.0° |
| C1B | C5' | C6' | O6' | 2.2° | 0.3° |
| C5' | C1B | C2B | C6B | 178.5° | 179.7° |
| C5' | C1B | C2B | C3B | 178.4° | 180.0° |
| C5' | C1B | C2B | H2B | 1.7° | 0.0° |
| C5' | C1B | C6B | C5B | 178.2° | 179.7° |
| C5' | C1B | C6B | H6B | 1.8° | 0.3° |
| C1B | C2B | C3B | H2B | 180.0° | 180.0° |
| C1B | C2B | C3B | C4B | 0.0° | 0.0° |
| C1B | C2B | C3B | H3B | 180.0° | 180.0° |
| C2B | C1B | C6B | C5B | 0.4° | 0.6° |
| C2B | C1B | C6B | H6B | 179.6° | 179.9° |
| C6B | C1B | C2B | C3B | 0.2° | 0.3° |
| C6B | C1B | C2B | H2B | 179.8° | 179.7° |
| C1B | C6B | C5B | C4B | 0.4° | 0.6° |
| C1B | C6B | C5B | H6B | 180.0° | 179.4° |
| C1B | C6B | C5B | C51 | 178.6° | 179.7° |
| C2B | C3B | C4B | H3B | 180.0° | 180.0° |
| C2B | C3B | C4B | C5B | 0.1° | 0.0° |
| C2B | C3B | C4B | H4B | 180.0° | 179.9° |
| H2B | C2B | C3B | C4B | 179.9° | 180.0° |
| H2B | C2B | C3B | H3B | 0.1° | 0.0° |
| C3B | C4B | C5B | H4B | 180.0° | 179.9° |
| C3B | C4B | C5B | C6B | 0.2° | 0.3° |
| C3B | C4B | C5B | C51 | 178.7° | 180.0° |
| H3B | C3B | C4B | C5B | 179.9° | 180.0° |
| H3B | C3B | C4B | H4B | 0.0° | 0.1° |
| C4B | C5B | C6B | C51 | 179.0° | 179.7° |
| C4B | C5B | C6B | H6B | 179.6° | 180.0° |
| C4B | C5B | C51 | N52 | 138.8° | 90.0° |
| C4B | C5B | C51 | H511 | 19.8° | 30.0° |
| C4B | C5B | C51 | H512 | 101.2° | 149.9° |
| H4B | C4B | C5B | C6B | 179.8° | 179.8° |
| H4B | C4B | C5B | C51 | 1.2° | 0.1° |
| C6B | C5B | C51 | N52 | 42.2° | 90.3° |
| C6B | C5B | C51 | H511 | 161.2° | 149.7° |
| C6B | C5B | C51 | H512 | 77.7° | 29.8° |
| C51 | C5B | C6B | H6B | 1.4° | 0.3° |
| C5B | C51 | N52 | H511 | 119.0° | 120.0° |
| C5B | C51 | N52 | H512 | 120.0° | 120.0° |
| C5B | C51 | H511 | H512 | 119.4° | 120.0° |
| C5B | C51 | N52 | C53 | 111.7° | 180.0° |
| C5B | C51 | N52 | H52 | 68.3° | 0.1° |
| N52 | C51 | H511 | H512 | 119.3° | 120.0° |
| C51 | N52 | C53 | H52 | 180.0° | 179.9° |
| C51 | N52 | C53 | O53 | 1.2° | 0.0° |
| C51 | N52 | C53 | N54 | 179.4° | 180.0° |
| H511 | C51 | N52 | C53 | 129.3° | 60.0° |
| H511 | C51 | N52 | H52 | 50.7° | 120.0° |
| H512 | C51 | N52 | C53 | 8.3° | 60.0° |
| H512 | C51 | N52 | H52 | 171.7° | 120.0° |
| N52 | C53 | O53 | N54 | 179.5° | 180.0° |
| N52 | C53 | N54 | H541 | 0.0° | 180.0° |
| N52 | C53 | N54 | H542 | 180.0° | 0.3° |
| H52 | N52 | C53 | O53 | 178.8° | 180.0° |
| H52 | N52 | C53 | N54 | 0.6° | 0.0° |
| O53 | C53 | N54 | H541 | 179.5° | 0.0° |
| O53 | C53 | N54 | H542 | 0.5° | 179.7° |
| C53 | N54 | H541 | H542 | 180.0° | 179.7° |
