RJ6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C6 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.33Å | Aromatic |
| C1 | O7 | sing | 1.36Å | 1.36Å | |
| C3 | C2 | doub | 1.39Å | 1.33Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C3 | O9 | sing | 1.36Å | 1.37Å | |
| C5 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| N11 | C5 | sing | 1.40Å | 1.36Å | |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | O7 | sing | 1.43Å | 1.39Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| C10 | O9 | sing | 1.43Å | 1.40Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C12 | N11 | sing | 1.38Å | 1.37Å | |
| N11 | HN11 | sing | 0.97Å | 1.00Å | |
| N13 | C12 | sing | 1.38Å | 1.35Å | |
| C12 | N16 | doub | 1.30Å | 1.29Å | |
| C14 | N13 | sing | 1.38Å | 1.35Å | |
| N13 | HN13 | sing | 0.97Å | 1.00Å | |
| N17 | C14 | doub | 1.30Å | 1.29Å | |
| C14 | N15 | sing | 1.38Å | 1.35Å | |
| N15 | HN15 | sing | 0.97Å | 1.00Å | |
| N15 | HN1A | sing | 0.97Å | 1.00Å | |
| N16 | HN16 | sing | 0.97Å | 1.00Å | |
| N17 | HN17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C2 | 117.3° | 120.0° |
| C6 | C1 | O7 | 128.3° | 120.0° |
| C1 | C6 | C5 | 120.6° | 120.0° |
| C1 | C6 | H6 | 119.7° | 120.0° |
| C2 | C1 | O7 | 114.4° | 119.9° |
| C1 | C2 | C3 | 126.7° | 120.0° |
| C1 | C2 | H2 | 116.6° | 120.0° |
| C1 | O7 | C8 | 134.0° | 117.0° |
| C3 | C2 | H2 | 116.6° | 120.0° |
| C2 | C3 | C4 | 116.7° | 120.0° |
| C2 | C3 | O9 | 111.2° | 120.0° |
| C4 | C3 | O9 | 132.0° | 120.0° |
| C3 | C4 | C5 | 119.7° | 120.0° |
| C3 | C4 | H4 | 120.1° | 120.0° |
| C3 | O9 | C10 | 121.5° | 117.0° |
| C5 | C4 | H4 | 120.1° | 120.0° |
| C4 | C5 | N11 | 122.6° | 120.0° |
| C4 | C5 | C6 | 118.9° | 120.0° |
| N11 | C5 | C6 | 118.5° | 120.0° |
| C5 | N11 | C12 | 130.4° | 120.0° |
| C5 | N11 | HN11 | 114.8° | 119.9° |
| C5 | C6 | H6 | 119.7° | 120.0° |
| O7 | C8 | H8 | 109.5° | 109.4° |
| O7 | C8 | H8A | 109.5° | 109.5° |
| O7 | C8 | H8B | 109.5° | 109.4° |
| H8 | C8 | H8A | 109.4° | 109.5° |
| H8 | C8 | H8B | 109.5° | 109.5° |
| H8A | C8 | H8B | 109.5° | 109.5° |
| O9 | C10 | H10 | 109.5° | 109.4° |
| O9 | C10 | H10A | 109.4° | 109.5° |
| O9 | C10 | H10B | 109.5° | 109.4° |
| H10 | C10 | H10A | 109.5° | 109.5° |
| H10 | C10 | H10B | 109.5° | 109.5° |
| H10A | C10 | H10B | 109.5° | 109.5° |
| C12 | N11 | HN11 | 114.8° | 120.0° |
| N11 | C12 | N13 | 117.7° | 120.0° |
| N11 | C12 | N16 | 120.0° | 120.0° |
| N13 | C12 | N16 | 122.2° | 120.0° |
| C12 | N13 | C14 | 131.7° | 120.0° |
| C12 | N13 | HN13 | 114.1° | 120.0° |
| C12 | N16 | HN16 | 109.5° | 120.0° |
| C14 | N13 | HN13 | 114.2° | 120.1° |
| N13 | C14 | N17 | 118.5° | 120.0° |
| N13 | C14 | N15 | 122.3° | 120.0° |
| N17 | C14 | N15 | 119.2° | 120.0° |
| C14 | N17 | HN17 | 110.8° | 120.0° |
| C14 | N15 | HN15 | 110.8° | 120.0° |
| C14 | N15 | HN1A | 124.6° | 120.0° |
| HN15 | N15 | HN1A | 124.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C2 | O7 | 178.9° | 179.8° |
| C6 | C1 | C2 | C3 | 0.6° | 0.3° |
| C6 | C1 | C2 | H2 | 179.4° | 179.8° |
| C1 | C6 | C5 | C4 | 0.8° | 0.5° |
| C1 | C6 | C5 | N11 | 179.8° | 179.7° |
| C1 | C6 | C5 | H6 | 180.0° | 179.6° |
| C6 | C1 | O7 | C8 | 0.2° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.2° | 0.1° |
| C1 | C2 | C3 | O9 | 177.7° | 179.9° |
| C2 | C1 | C6 | C5 | 0.1° | 0.5° |
| C2 | C1 | C6 | H6 | 179.9° | 179.9° |
| C2 | C1 | O7 | C8 | 178.6° | 0.1° |
| O7 | C1 | C2 | C3 | 178.3° | 180.0° |
| O7 | C1 | C2 | H2 | 1.7° | 0.0° |
| O7 | C1 | C6 | C5 | 178.6° | 179.7° |
| O7 | C1 | C6 | H6 | 1.4° | 0.1° |
| C1 | O7 | C8 | H8 | 24.5° | 180.0° |
| C1 | O7 | C8 | H8A | 95.5° | 59.9° |
| C1 | O7 | C8 | H8B | 144.5° | 60.1° |
| C2 | C3 | C4 | O9 | 177.4° | 180.0° |
| C2 | C3 | C4 | C5 | 0.7° | 0.0° |
| C2 | C3 | C4 | H4 | 179.3° | 179.9° |
| C2 | C3 | O9 | C10 | 126.8° | 0.1° |
| H2 | C2 | C3 | C4 | 179.8° | 180.0° |
| H2 | C2 | C3 | O9 | 2.2° | 0.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | N11 | 179.4° | 180.0° |
| C3 | C4 | C5 | C6 | 1.2° | 0.3° |
| C4 | C3 | O9 | C10 | 50.8° | 180.0° |
| O9 | C3 | C4 | C5 | 178.2° | 179.9° |
| O9 | C3 | C4 | H4 | 1.9° | 0.0° |
| C3 | O9 | C10 | H10 | 160.9° | 60.1° |
| C3 | O9 | C10 | H10A | 79.0° | 60.0° |
| C3 | O9 | C10 | H10B | 40.9° | 180.0° |
| C4 | C5 | N11 | C6 | 179.4° | 179.8° |
| C4 | C5 | C6 | H6 | 179.2° | 179.9° |
| C4 | C5 | N11 | C12 | 96.7° | 36.0° |
| C4 | C5 | N11 | HN11 | 83.3° | 143.9° |
| H4 | C4 | C5 | N11 | 0.6° | 0.1° |
| H4 | C4 | C5 | C6 | 178.8° | 179.8° |
| N11 | C5 | C6 | H6 | 0.2° | 0.1° |
| C5 | N11 | C12 | HN11 | 180.0° | 179.9° |
| C5 | N11 | C12 | N13 | 168.5° | 6.0° |
| C5 | N11 | C12 | N16 | 11.2° | 174.0° |
| C6 | C5 | N11 | C12 | 83.9° | 144.2° |
| C6 | C5 | N11 | HN11 | 96.1° | 35.8° |
| O7 | C8 | H8 | H8A | 120.0° | 120.0° |
| O7 | C8 | H8 | H8B | 120.0° | 119.9° |
| O7 | C8 | H8A | H8B | 120.0° | 120.0° |
| H8 | C8 | H8A | H8B | 120.0° | 120.0° |
| O9 | C10 | H10 | H10A | 120.0° | 120.0° |
| O9 | C10 | H10 | H10B | 120.0° | 119.9° |
| O9 | C10 | H10A | H10B | 120.0° | 120.0° |
| H10 | C10 | H10A | H10B | 120.0° | 120.0° |
| N11 | C12 | N13 | N16 | 179.7° | 180.0° |
| N11 | C12 | N13 | C14 | 9.2° | 179.7° |
| N11 | C12 | N13 | HN13 | 170.8° | 0.4° |
| N11 | C12 | N16 | HN16 | 0.2° | 4.9° |
| HN11 | N11 | C12 | N13 | 11.5° | 174.1° |
| HN11 | N11 | C12 | N16 | 168.8° | 5.9° |
| C12 | N13 | C14 | HN13 | 180.0° | 179.9° |
| C12 | N13 | C14 | N17 | 160.8° | 3.8° |
| C12 | N13 | C14 | N15 | 19.1° | 176.2° |
| N13 | C12 | N16 | HN16 | 179.9° | 175.0° |
| N16 | C12 | N13 | C14 | 171.1° | 0.3° |
| N16 | C12 | N13 | HN13 | 8.9° | 179.6° |
| N13 | C14 | N17 | N15 | 179.8° | 180.0° |
| N13 | C14 | N15 | HN15 | 0.1° | 5.0° |
| N13 | C14 | N15 | HN1A | 179.9° | 175.0° |
| N13 | C14 | N17 | HN17 | 180.0° | 180.0° |
| HN13 | N13 | C14 | N17 | 19.2° | 176.2° |
| HN13 | N13 | C14 | N15 | 160.9° | 3.9° |
| N17 | C14 | N15 | HN15 | 179.9° | 175.0° |
| N17 | C14 | N15 | HN1A | 0.1° | 5.1° |
| C14 | N15 | HN15 | HN1A | 180.0° | 180.0° |
| N15 | C14 | N17 | HN17 | 0.2° | 0.1° |
