6J9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| C2 | C | sing | 1.53Å | 1.52Å | |
| C1 | N | sing | 1.47Å | 1.46Å | |
| C1 | C3 | sing | 1.53Å | 1.53Å | |
| N1 | C3 | sing | 1.47Å | 1.47Å | |
| N2 | C9 | doub | 1.32Å | 1.34Å | Aromatic |
| N2 | C4 | sing | 1.33Å | 1.36Å | Aromatic |
| N | C | sing | 1.47Å | 1.46Å | |
| N | C4 | sing | 1.38Å | 1.41Å | |
| C9 | N4 | sing | 1.32Å | 1.34Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.50Å | Aromatic |
| N4 | C6 | doub | 1.33Å | 1.35Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.47Å | Aromatic |
| C5 | C7 | sing | 1.46Å | 1.42Å | Aromatic |
| C6 | N3 | sing | 1.37Å | 1.35Å | Aromatic |
| C7 | C8 | doub | 1.34Å | 1.38Å | Aromatic |
| N3 | C8 | sing | 1.37Å | 1.36Å | Aromatic |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C | H8 | sing | 1.09Å | 1.10Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| N3 | H14 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C2 | C | 108.4° | 109.4° |
| C2 | N1 | C3 | 115.7° | 110.9° |
| C2 | N1 | H1 | 107.9° | 111.0° |
| N1 | C2 | H10 | 109.7° | 109.5° |
| N1 | C2 | H11 | 109.7° | 109.5° |
| C2 | C | N | 108.0° | 109.3° |
| C2 | C | H8 | 109.8° | 109.5° |
| C2 | C | H9 | 109.8° | 109.4° |
| C | C2 | H10 | 109.7° | 109.4° |
| C | C2 | H11 | 109.7° | 109.5° |
| N | C1 | C3 | 106.9° | 109.3° |
| C1 | N | C | 118.4° | 110.9° |
| C1 | N | C4 | 122.5° | 111.0° |
| N | C1 | H6 | 110.1° | 109.5° |
| N | C1 | H7 | 110.1° | 109.4° |
| C1 | C3 | N1 | 109.5° | 109.4° |
| C3 | C1 | H6 | 110.1° | 109.5° |
| C3 | C1 | H7 | 110.1° | 109.5° |
| C1 | C3 | H12 | 109.5° | 109.5° |
| C1 | C3 | H13 | 109.5° | 109.5° |
| C3 | N1 | H1 | 107.9° | 111.0° |
| N1 | C3 | H12 | 109.5° | 109.5° |
| N1 | C3 | H13 | 109.5° | 109.6° |
| C9 | N2 | C4 | 123.0° | 121.0° |
| N2 | C9 | N4 | 122.7° | 122.7° |
| N2 | C9 | H5 | 118.6° | 118.6° |
| N2 | C4 | N | 119.0° | 120.8° |
| N2 | C4 | C5 | 116.8° | 118.3° |
| C | N | C4 | 119.2° | 111.0° |
| N | C | H8 | 109.9° | 109.5° |
| N | C | H9 | 109.8° | 109.5° |
| N | C4 | C5 | 124.2° | 120.8° |
| C9 | N4 | C6 | 121.4° | 120.7° |
| N4 | C9 | H5 | 118.6° | 118.7° |
| C4 | C5 | C6 | 116.9° | 118.6° |
| C4 | C5 | C7 | 137.3° | 135.1° |
| N4 | C6 | C5 | 119.2° | 118.6° |
| N4 | C6 | N3 | 134.4° | 134.3° |
| C6 | C5 | C7 | 105.8° | 106.2° |
| C5 | C6 | N3 | 106.4° | 107.1° |
| C5 | C7 | C8 | 107.6° | 106.8° |
| C5 | C7 | H3 | 126.2° | 126.6° |
| C6 | N3 | C8 | 111.2° | 110.0° |
| C6 | N3 | H14 | 124.4° | 125.0° |
| C7 | C8 | N3 | 109.0° | 109.8° |
| C8 | C7 | H3 | 126.2° | 126.7° |
| C7 | C8 | H4 | 125.5° | 125.1° |
| N3 | C8 | H4 | 125.5° | 125.1° |
| C8 | N3 | H14 | 124.4° | 125.0° |
| H6 | C1 | H7 | 109.5° | 109.5° |
| H8 | C | H9 | 109.5° | 109.5° |
| H10 | C2 | H11 | 109.5° | 109.5° |
| H12 | C3 | H13 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | C | H10 | 119.8° | 120.0° |
| N1 | C2 | C | H11 | 119.8° | 120.0° |
| C2 | N1 | C3 | C1 | 24.8° | 59.3° |
| C2 | N1 | C3 | H1 | 120.9° | 123.9° |
| N1 | C2 | C | N | 62.7° | 58.4° |
| N1 | C2 | C | H8 | 177.5° | 178.4° |
| N1 | C2 | C | H9 | 57.1° | 61.6° |
| N1 | C2 | H10 | H11 | 120.5° | 120.1° |
| C2 | N1 | C3 | H12 | 144.8° | 60.6° |
| C2 | N1 | C3 | H13 | 95.2° | 179.3° |
| C2 | C | N | C1 | 24.3° | 59.3° |
| C | C2 | N1 | C3 | 36.9° | 59.3° |
| C2 | C | N | H8 | 119.8° | 120.0° |
| C2 | C | N | H9 | 119.8° | 119.9° |
| C2 | C | N | C4 | 155.2° | 176.8° |
| C | C2 | N1 | H1 | 84.0° | 176.8° |
| C2 | C | H8 | H9 | 120.6° | 120.0° |
| C | C2 | H10 | H11 | 120.5° | 120.0° |
| N | C1 | C3 | H6 | 119.6° | 120.0° |
| N | C1 | C3 | H7 | 119.6° | 119.9° |
| N | C1 | C3 | N1 | 62.5° | 58.4° |
| C1 | N | C4 | N2 | 131.3° | 123.5° |
| C1 | N | C | C4 | 179.5° | 123.9° |
| C1 | N | C4 | C5 | 49.5° | 56.2° |
| N | C1 | H6 | H7 | 121.2° | 120.0° |
| C1 | N | C | H8 | 144.0° | 179.3° |
| C1 | N | C | H9 | 95.5° | 60.6° |
| N | C1 | C3 | H12 | 177.5° | 61.6° |
| N | C1 | C3 | H13 | 57.5° | 178.5° |
| C1 | C3 | N1 | H12 | 120.0° | 120.0° |
| C1 | C3 | N1 | H13 | 120.0° | 120.0° |
| C3 | C1 | N | C | 36.5° | 59.3° |
| C3 | C1 | N | C4 | 144.0° | 176.8° |
| C1 | C3 | N1 | H1 | 145.7° | 176.8° |
| C3 | C1 | H6 | H7 | 121.2° | 120.1° |
| C1 | C3 | H12 | H13 | 120.0° | 120.0° |
| N1 | C3 | C1 | H6 | 57.1° | 61.6° |
| N1 | C3 | C1 | H7 | 178.0° | 178.3° |
| C3 | N1 | C2 | H10 | 82.9° | 179.3° |
| C3 | N1 | C2 | H11 | 156.7° | 60.7° |
| N1 | C3 | H12 | H13 | 120.0° | 120.1° |
| C9 | N2 | C4 | N | 179.7° | 179.7° |
| N2 | C9 | N4 | H5 | 180.0° | 180.0° |
| C9 | N2 | C4 | C5 | 0.5° | 0.0° |
| N2 | C9 | N4 | C6 | 0.6° | 0.0° |
| N2 | C4 | N | C | 48.2° | 0.3° |
| N2 | C4 | N | C5 | 179.1° | 179.7° |
| C4 | N2 | C9 | N4 | 0.5° | 0.0° |
| N2 | C4 | C5 | C6 | 0.6° | 0.0° |
| N2 | C4 | C5 | C7 | 179.7° | 180.0° |
| C4 | N2 | C9 | H5 | 179.5° | 180.0° |
| C | N | C4 | C5 | 131.0° | 180.0° |
| C | N | C1 | H6 | 83.0° | 60.7° |
| C | N | C1 | H7 | 156.1° | 179.3° |
| N | C | H8 | H9 | 120.7° | 120.1° |
| N | C | C2 | H10 | 57.1° | 178.4° |
| N | C | C2 | H11 | 177.5° | 61.6° |
| N | C4 | C5 | C6 | 179.7° | 179.7° |
| N | C4 | C5 | C7 | 0.6° | 0.3° |
| C4 | N | C1 | H6 | 96.4° | 63.2° |
| C4 | N | C1 | H7 | 24.4° | 56.8° |
| C4 | N | C | H8 | 35.5° | 56.9° |
| C4 | N | C | H9 | 85.0° | 63.3° |
| C9 | N4 | C6 | C5 | 0.7° | 0.0° |
| C9 | N4 | C6 | N3 | 179.7° | 180.0° |
| C4 | C5 | C6 | N4 | 0.7° | 0.0° |
| C4 | C5 | C6 | C7 | 179.8° | 180.0° |
| C4 | C5 | C6 | N3 | 179.6° | 180.0° |
| C4 | C5 | C7 | C8 | 179.4° | 180.0° |
| C4 | C5 | C7 | H3 | 0.6° | 0.0° |
| N4 | C6 | C5 | N3 | 179.7° | 180.0° |
| N4 | C6 | C5 | C7 | 179.5° | 180.0° |
| N4 | C6 | N3 | C8 | 179.7° | 180.0° |
| C6 | N4 | C9 | H5 | 179.4° | 180.0° |
| N4 | C6 | N3 | H14 | 0.3° | 0.0° |
| C6 | C5 | C7 | C8 | 0.3° | 0.0° |
| C5 | C6 | N3 | C8 | 0.1° | 0.0° |
| C6 | C5 | C7 | H3 | 179.7° | 180.0° |
| C5 | C6 | N3 | H14 | 180.0° | 180.0° |
| C7 | C5 | C6 | N3 | 0.2° | 0.0° |
| C5 | C7 | C8 | H3 | 180.0° | 180.0° |
| C5 | C7 | C8 | N3 | 0.4° | 0.0° |
| C5 | C7 | C8 | H4 | 179.6° | 180.0° |
| C6 | N3 | C8 | C7 | 0.3° | 0.0° |
| C6 | N3 | C8 | H14 | 180.0° | 180.0° |
| C6 | N3 | C8 | H4 | 179.7° | 180.0° |
| C7 | C8 | N3 | H4 | 180.0° | 180.0° |
| C7 | C8 | N3 | H14 | 179.7° | 180.0° |
| N3 | C8 | C7 | H3 | 179.6° | 180.0° |
| H1 | N1 | C2 | H10 | 156.1° | 56.9° |
| H1 | N1 | C2 | H11 | 35.8° | 63.2° |
| H1 | N1 | C3 | H12 | 94.2° | 63.3° |
| H1 | N1 | C3 | H13 | 25.7° | 56.8° |
| H3 | C7 | C8 | H4 | 0.4° | 0.0° |
| H4 | C8 | N3 | H14 | 0.3° | 0.0° |
| H6 | C1 | C3 | H12 | 62.9° | 178.4° |
| H6 | C1 | C3 | H13 | 177.1° | 58.5° |
| H7 | C1 | C3 | H12 | 57.9° | 58.4° |
| H7 | C1 | C3 | H13 | 62.0° | 61.6° |
| H8 | C | C2 | H10 | 62.7° | 61.6° |
| H8 | C | C2 | H11 | 57.7° | 58.4° |
| H9 | C | C2 | H10 | 176.9° | 58.4° |
| H9 | C | C2 | H11 | 62.7° | 178.4° |
