6RN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C1 | sing | 1.36Å | 1.37Å | |
| C1 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.37Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | N | sing | 1.40Å | 1.39Å | |
| C9 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.51Å | 1.51Å | |
| C6 | N1 | doub | 1.32Å | 1.35Å | Aromatic |
| N | C5 | sing | 1.46Å | 1.45Å | |
| C10 | N1 | sing | 1.32Å | 1.34Å | Aromatic |
| C5 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H11 | sing | 1.08Å | 1.08Å | |
| N | H12 | sing | 0.97Å | 1.00Å | |
| O | C13 | sing | 1.43Å | 57.90Å | |
| C13 | H9 | sing | 1.09Å | 0.00Å | |
| C13 | H13 | sing | 1.09Å | 0.00Å | |
| C13 | H14 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C1 | C12 | 119.7° | 120.1° |
| O | C1 | C2 | 120.2° | 120.0° |
| C1 | O | C13 | 112.4° | 117.0° |
| C12 | C1 | C2 | 120.1° | 120.0° |
| C1 | C12 | C11 | 119.9° | 120.1° |
| C1 | C12 | H8 | 120.0° | 119.9° |
| C1 | C2 | C3 | 119.9° | 120.0° |
| C1 | C2 | H11 | 120.0° | 120.0° |
| C12 | C11 | C4 | 120.4° | 119.9° |
| C12 | C11 | H7 | 119.8° | 120.1° |
| C11 | C12 | H8 | 120.0° | 120.0° |
| C2 | C3 | C4 | 120.4° | 120.0° |
| C2 | C3 | H10 | 119.8° | 120.0° |
| C3 | C2 | H11 | 120.0° | 120.0° |
| C11 | C4 | C3 | 119.2° | 120.0° |
| C11 | C4 | N | 120.4° | 120.0° |
| C4 | C11 | H7 | 119.8° | 120.0° |
| C7 | C8 | C9 | 120.0° | 118.4° |
| C8 | C7 | C6 | 118.4° | 119.2° |
| C8 | C7 | H3 | 120.8° | 120.4° |
| C7 | C8 | H4 | 120.0° | 120.8° |
| C8 | C9 | C10 | 117.9° | 119.2° |
| C9 | C8 | H4 | 120.0° | 120.8° |
| C8 | C9 | H5 | 121.1° | 120.3° |
| C3 | C4 | N | 120.3° | 120.0° |
| C4 | C3 | H10 | 119.8° | 120.0° |
| C7 | C6 | C5 | 121.4° | 119.6° |
| C7 | C6 | N1 | 122.5° | 120.7° |
| C6 | C7 | H3 | 120.8° | 120.4° |
| C4 | N | C5 | 122.8° | 120.0° |
| C4 | N | H12 | 106.1° | 119.9° |
| C9 | C10 | N1 | 123.7° | 120.8° |
| C10 | C9 | H5 | 121.0° | 120.5° |
| C9 | C10 | H6 | 118.2° | 119.6° |
| C5 | C6 | N1 | 116.1° | 119.7° |
| C6 | C5 | N | 111.6° | 109.5° |
| C6 | C5 | H1 | 108.9° | 109.5° |
| C6 | C5 | H2 | 108.9° | 109.5° |
| C6 | N1 | C10 | 117.5° | 121.8° |
| N | C5 | H1 | 108.9° | 109.5° |
| N | C5 | H2 | 108.9° | 109.5° |
| C5 | N | H12 | 106.1° | 120.0° |
| N1 | C10 | H6 | 118.2° | 119.6° |
| H1 | C5 | H2 | 109.5° | 109.4° |
| O | C13 | H9 | 90.0° | 109.5° |
| O | C13 | H13 | 90.0° | 109.5° |
| O | C13 | H14 | 90.0° | 109.4° |
| H9 | C13 | H13 | 90.0° | 109.5° |
| H9 | C13 | H14 | 90.0° | 109.5° |
| H13 | C13 | H14 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C1 | C12 | C2 | 179.3° | 180.0° |
| O | C1 | C12 | C11 | 179.0° | 180.0° |
| O | C1 | C2 | C3 | 179.0° | 179.8° |
| O | C1 | C12 | H8 | 0.9° | 0.0° |
| O | C1 | C2 | H11 | 1.0° | 0.0° |
| C1 | O | C13 | H9 | 90.0° | 60.0° |
| C1 | O | C13 | H13 | 90.0° | 60.1° |
| C1 | O | C13 | H14 | 90.0° | 180.0° |
| C1 | C12 | C11 | H8 | 180.0° | 180.0° |
| C12 | C1 | C2 | C3 | 0.3° | 0.2° |
| C1 | C12 | C11 | C4 | 0.0° | 0.0° |
| C1 | C12 | C11 | H7 | 180.0° | 180.0° |
| C12 | C1 | C2 | H11 | 179.7° | 180.0° |
| C12 | C1 | O | C13 | 108.2° | 180.0° |
| C2 | C1 | C12 | C11 | 0.3° | 0.0° |
| C1 | C2 | C3 | H11 | 180.0° | 179.8° |
| C1 | C2 | C3 | C4 | 0.1° | 0.5° |
| C2 | C1 | C12 | H8 | 179.8° | 180.0° |
| C1 | C2 | C3 | H10 | 179.9° | 179.7° |
| C2 | C1 | O | C13 | 72.5° | 0.1° |
| C12 | C11 | C4 | H7 | 180.0° | 180.0° |
| C12 | C11 | C4 | C3 | 0.2° | 0.2° |
| C12 | C11 | C4 | N | 179.7° | 180.0° |
| C2 | C3 | C4 | C11 | 0.1° | 0.5° |
| C2 | C3 | C4 | H10 | 180.0° | 179.8° |
| C2 | C3 | C4 | N | 179.6° | 179.8° |
| C11 | C4 | C3 | N | 179.5° | 179.8° |
| C11 | C4 | N | C5 | 72.3° | 180.0° |
| C4 | C11 | C12 | H8 | 180.0° | 180.0° |
| C11 | C4 | C3 | H10 | 179.8° | 179.7° |
| C11 | C4 | N | H12 | 49.6° | 0.0° |
| C7 | C8 | C9 | H4 | 180.0° | 179.9° |
| C8 | C7 | C6 | H3 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.5° | 0.4° |
| C8 | C7 | C6 | C5 | 178.1° | 179.9° |
| C8 | C7 | C6 | N1 | 0.5° | 0.2° |
| C7 | C8 | C9 | H5 | 179.5° | 180.0° |
| C9 | C8 | C7 | C6 | 0.2° | 0.1° |
| C8 | C9 | C10 | H5 | 180.0° | 179.6° |
| C8 | C9 | C10 | N1 | 0.2° | 0.4° |
| C9 | C8 | C7 | H3 | 179.8° | 180.0° |
| C8 | C9 | C10 | H6 | 179.8° | 180.0° |
| C3 | C4 | N | C5 | 108.3° | 0.2° |
| C3 | C4 | C11 | H7 | 179.8° | 179.8° |
| C4 | C3 | C2 | H11 | 179.9° | 179.7° |
| C3 | C4 | N | H12 | 129.9° | 179.7° |
| C7 | C6 | C5 | N1 | 178.8° | 179.7° |
| C7 | C6 | C5 | N | 82.2° | 94.8° |
| C7 | C6 | N1 | C10 | 0.9° | 0.2° |
| C7 | C6 | C5 | H1 | 157.5° | 145.3° |
| C7 | C6 | C5 | H2 | 38.1° | 25.3° |
| C6 | C7 | C8 | H4 | 179.8° | 180.0° |
| C4 | N | C5 | C6 | 50.3° | 180.0° |
| C4 | N | C5 | H12 | 121.8° | 180.0° |
| C4 | N | C5 | H1 | 170.6° | 60.0° |
| C4 | N | C5 | H2 | 70.0° | 60.0° |
| N | C4 | C11 | H7 | 0.3° | 0.0° |
| N | C4 | C3 | H10 | 0.4° | 0.0° |
| C9 | C10 | N1 | C6 | 0.5° | 0.1° |
| C9 | C10 | N1 | H6 | 180.0° | 179.6° |
| C10 | C9 | C8 | H4 | 179.5° | 179.7° |
| C6 | C5 | N | H1 | 120.3° | 120.0° |
| C6 | C5 | N | H2 | 120.3° | 120.1° |
| C5 | C6 | N1 | C10 | 177.9° | 179.9° |
| C6 | C5 | H1 | H2 | 119.0° | 120.0° |
| C5 | C6 | C7 | H3 | 1.9° | 0.1° |
| C6 | C5 | N | H12 | 172.1° | 0.0° |
| N1 | C6 | C5 | N | 96.5° | 85.0° |
| N1 | C6 | C5 | H1 | 23.8° | 35.0° |
| N1 | C6 | C5 | H2 | 143.1° | 155.0° |
| N1 | C6 | C7 | H3 | 179.5° | 179.7° |
| C6 | N1 | C10 | H6 | 179.5° | 179.7° |
| N | C5 | H1 | H2 | 119.0° | 120.0° |
| N1 | C10 | C9 | H5 | 179.8° | 180.0° |
| H1 | C5 | N | H12 | 67.6° | 120.0° |
| H2 | C5 | N | H12 | 51.8° | 120.0° |
| H3 | C7 | C8 | H4 | 0.1° | 0.1° |
| H4 | C8 | C9 | H5 | 0.5° | 0.1° |
| H5 | C9 | C10 | H6 | 0.2° | 0.4° |
| H7 | C11 | C12 | H8 | 0.0° | 0.0° |
| H10 | C3 | C2 | H11 | 0.1° | 0.1° |
| O | C13 | H9 | H13 | 90.0° | 120.0° |
| O | C13 | H9 | H14 | 90.0° | 120.0° |
| O | C13 | H13 | H14 | 90.0° | 119.9° |
| H9 | C13 | H13 | H14 | 90.0° | 120.0° |
