8RV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| C8 | N2 | sing | 1.47Å | 1.47Å | |
| C9 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C5 | N2 | sing | 1.47Å | 1.46Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| N2 | C6 | sing | 1.47Å | 1.46Å | |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | N1 | sing | 1.46Å | 1.46Å | |
| C3 | C7 | sing | 1.53Å | 1.52Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| N1 | C2 | sing | 1.35Å | 1.34Å | |
| C2 | O1 | doub | 1.21Å | 1.23Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.08Å | 1.08Å | |
| C12 | H20 | sing | 1.08Å | 1.08Å | |
| C14 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | C9 | 120.5° | 120.0° |
| C10 | C11 | C12 | 119.8° | 120.0° |
| C11 | C10 | H12 | 119.7° | 120.0° |
| C10 | C11 | H19 | 120.1° | 120.0° |
| C10 | C9 | C8 | 120.1° | 120.0° |
| C10 | C9 | C14 | 119.6° | 120.0° |
| C9 | C10 | H12 | 119.8° | 120.0° |
| C11 | C12 | C13 | 119.9° | 120.0° |
| C12 | C11 | H19 | 120.1° | 120.0° |
| C11 | C12 | H20 | 120.0° | 120.0° |
| C9 | C8 | N2 | 116.7° | 109.4° |
| C8 | C9 | C14 | 120.3° | 120.0° |
| C9 | C8 | H10 | 107.6° | 109.5° |
| C9 | C8 | H11 | 107.6° | 109.5° |
| C8 | N2 | C5 | 104.8° | 111.0° |
| C8 | N2 | C6 | 111.7° | 111.0° |
| N2 | C8 | H10 | 107.6° | 109.5° |
| N2 | C8 | H11 | 107.6° | 109.4° |
| C9 | C14 | C13 | 119.6° | 120.0° |
| C9 | C14 | H21 | 120.2° | 120.0° |
| C12 | C13 | C14 | 120.7° | 120.0° |
| C12 | C13 | H13 | 119.7° | 120.0° |
| C13 | C12 | H20 | 120.1° | 120.0° |
| N2 | C5 | C4 | 113.3° | 109.5° |
| C5 | N2 | C6 | 109.8° | 111.2° |
| N2 | C5 | H4 | 108.5° | 109.5° |
| N2 | C5 | H5 | 108.5° | 109.5° |
| C5 | C4 | C3 | 110.1° | 109.3° |
| C5 | C4 | H2 | 109.3° | 109.5° |
| C5 | C4 | H3 | 109.3° | 109.5° |
| C4 | C5 | H4 | 108.5° | 109.5° |
| C4 | C5 | H5 | 108.5° | 109.5° |
| N2 | C6 | C7 | 112.5° | 109.5° |
| N2 | C6 | H6 | 108.7° | 109.5° |
| N2 | C6 | H7 | 108.7° | 109.5° |
| C14 | C13 | H13 | 119.6° | 120.0° |
| C13 | C14 | H21 | 120.2° | 120.0° |
| C4 | C3 | N1 | 111.5° | 109.6° |
| C4 | C3 | C7 | 111.5° | 109.1° |
| C3 | C4 | H2 | 109.3° | 109.5° |
| C3 | C4 | H3 | 109.3° | 109.5° |
| C4 | C3 | H17 | 106.0° | 109.5° |
| N1 | C3 | C7 | 114.5° | 109.5° |
| C3 | N1 | C2 | 130.6° | 120.0° |
| C3 | N1 | H1 | 114.7° | 120.0° |
| N1 | C3 | H17 | 106.6° | 109.5° |
| C3 | C7 | C6 | 110.9° | 109.3° |
| C3 | C7 | H8 | 109.1° | 109.5° |
| C3 | C7 | H9 | 109.1° | 109.5° |
| C7 | C3 | H17 | 106.0° | 109.6° |
| C7 | C6 | H6 | 108.7° | 109.5° |
| C7 | C6 | H7 | 108.7° | 109.5° |
| C6 | C7 | H8 | 109.1° | 109.5° |
| C6 | C7 | H9 | 109.1° | 109.6° |
| N1 | C2 | O1 | 125.2° | 120.0° |
| N1 | C2 | C1 | 116.7° | 120.0° |
| C2 | N1 | H1 | 114.7° | 120.0° |
| O1 | C2 | C1 | 118.0° | 120.0° |
| C2 | C1 | H14 | 109.5° | 109.5° |
| C2 | C1 | H15 | 109.5° | 109.4° |
| C2 | C1 | H16 | 109.5° | 109.5° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.4° |
| H6 | C6 | H7 | 109.5° | 109.4° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.5° | 109.5° |
| H14 | C1 | H15 | 109.5° | 109.5° |
| H14 | C1 | H16 | 109.4° | 109.5° |
| H15 | C1 | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | C9 | H12 | 180.0° | 179.6° |
| C10 | C11 | C12 | H19 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 179.2° | 180.0° |
| C11 | C10 | C9 | C14 | 0.5° | 0.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C10 | C11 | C12 | H20 | 179.9° | 180.0° |
| C9 | C10 | C11 | C12 | 0.1° | 0.0° |
| C10 | C9 | C8 | C14 | 178.7° | 179.9° |
| C10 | C9 | C8 | N2 | 76.9° | 90.1° |
| C10 | C9 | C14 | C13 | 0.6° | 0.0° |
| C10 | C9 | C8 | H10 | 162.0° | 29.9° |
| C10 | C9 | C8 | H11 | 44.1° | 150.0° |
| C9 | C10 | C11 | H19 | 179.9° | 179.9° |
| C10 | C9 | C14 | H21 | 179.3° | 179.9° |
| C11 | C12 | C13 | H20 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.0° | 0.0° |
| C12 | C11 | C10 | H12 | 179.9° | 179.7° |
| C11 | C12 | C13 | H13 | 180.0° | 179.9° |
| C9 | C8 | N2 | H10 | 121.0° | 120.0° |
| C9 | C8 | N2 | H11 | 121.0° | 120.0° |
| C9 | C8 | N2 | C5 | 178.8° | 170.0° |
| C9 | C8 | N2 | C6 | 62.4° | 65.8° |
| C8 | C9 | C14 | C13 | 179.3° | 179.9° |
| C9 | C8 | H10 | H11 | 116.7° | 120.1° |
| C8 | C9 | C10 | H12 | 0.8° | 0.4° |
| C8 | C9 | C14 | H21 | 0.6° | 0.0° |
| N2 | C8 | C9 | C14 | 104.4° | 90.0° |
| C8 | N2 | C5 | C6 | 120.2° | 124.1° |
| C8 | N2 | C5 | C4 | 180.0° | 174.2° |
| C8 | N2 | C6 | C7 | 173.0° | 174.2° |
| C8 | N2 | C5 | H4 | 59.4° | 54.1° |
| C8 | N2 | C5 | H5 | 59.5° | 65.8° |
| C8 | N2 | C6 | H6 | 66.6° | 65.8° |
| C8 | N2 | C6 | H7 | 52.5° | 54.1° |
| N2 | C8 | H10 | H11 | 116.7° | 120.0° |
| C9 | C14 | C13 | C12 | 0.4° | 0.0° |
| C9 | C14 | C13 | H21 | 180.0° | 179.9° |
| C14 | C9 | C8 | H10 | 16.7° | 150.0° |
| C14 | C9 | C8 | H11 | 134.6° | 29.9° |
| C14 | C9 | C10 | H12 | 179.5° | 179.7° |
| C9 | C14 | C13 | H13 | 179.6° | 179.9° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C13 | C12 | C11 | H19 | 179.9° | 179.9° |
| C12 | C13 | C14 | H21 | 179.6° | 180.0° |
| N2 | C5 | C4 | H4 | 120.5° | 120.0° |
| N2 | C5 | C4 | H5 | 120.6° | 120.0° |
| N2 | C5 | C4 | C3 | 5.4° | 59.2° |
| C5 | N2 | C6 | C7 | 57.1° | 61.8° |
| N2 | C5 | C4 | H2 | 125.5° | 179.1° |
| N2 | C5 | C4 | H3 | 114.7° | 60.8° |
| N2 | C5 | H4 | H5 | 118.2° | 120.0° |
| C5 | N2 | C6 | H6 | 177.6° | 58.3° |
| C5 | N2 | C6 | H7 | 63.4° | 178.2° |
| C5 | N2 | C8 | H10 | 60.2° | 50.0° |
| C5 | N2 | C8 | H11 | 57.7° | 70.0° |
| C4 | C5 | N2 | C6 | 59.8° | 61.7° |
| C5 | C4 | C3 | H2 | 120.1° | 119.9° |
| C5 | C4 | C3 | H3 | 120.1° | 120.0° |
| C5 | C4 | C3 | N1 | 179.3° | 62.2° |
| C5 | C4 | C3 | C7 | 49.9° | 57.6° |
| C5 | C4 | H2 | H3 | 119.7° | 120.1° |
| C4 | C5 | H4 | H5 | 118.2° | 120.0° |
| C5 | C4 | C3 | H17 | 65.0° | 177.6° |
| N2 | C6 | C7 | C3 | 1.4° | 59.2° |
| N2 | C6 | C7 | H6 | 120.4° | 120.0° |
| N2 | C6 | C7 | H7 | 120.4° | 120.0° |
| C6 | N2 | C5 | H4 | 60.8° | 178.2° |
| C6 | N2 | C5 | H5 | 179.6° | 58.3° |
| N2 | C6 | H6 | H7 | 118.6° | 120.0° |
| N2 | C6 | C7 | H8 | 121.6° | 60.7° |
| N2 | C6 | C7 | H9 | 118.8° | 179.2° |
| C6 | N2 | C8 | H10 | 58.7° | 174.2° |
| C6 | N2 | C8 | H11 | 176.6° | 54.2° |
| C14 | C13 | C12 | H20 | 180.0° | 180.0° |
| C4 | C3 | N1 | C7 | 127.8° | 119.7° |
| C4 | C3 | N1 | H17 | 115.3° | 120.2° |
| C4 | C3 | C7 | H17 | 114.9° | 119.9° |
| C4 | C3 | C7 | C6 | 52.3° | 57.6° |
| C4 | C3 | N1 | C2 | 52.6° | 155.0° |
| C4 | C3 | N1 | H1 | 127.4° | 24.7° |
| C3 | C4 | H2 | H3 | 119.7° | 120.1° |
| C3 | C4 | C5 | H4 | 115.2° | 179.2° |
| C3 | C4 | C5 | H5 | 126.0° | 60.8° |
| C4 | C3 | C7 | H8 | 67.9° | 62.3° |
| C4 | C3 | C7 | H9 | 172.5° | 177.7° |
| N1 | C3 | C7 | H17 | 117.3° | 120.1° |
| N1 | C3 | C7 | C6 | 179.9° | 62.3° |
| C3 | N1 | C2 | H1 | 180.0° | 179.7° |
| C3 | N1 | C2 | O1 | 1.0° | 0.3° |
| C3 | N1 | C2 | C1 | 178.5° | 179.7° |
| N1 | C3 | C4 | H2 | 59.3° | 57.7° |
| N1 | C3 | C4 | H3 | 60.5° | 177.8° |
| N1 | C3 | C7 | H8 | 59.9° | 177.8° |
| N1 | C3 | C7 | H9 | 59.7° | 57.8° |
| C3 | C7 | C6 | H8 | 120.2° | 119.9° |
| C3 | C7 | C6 | H9 | 120.2° | 120.0° |
| C7 | C3 | N1 | C2 | 75.2° | 85.4° |
| C7 | C3 | N1 | H1 | 104.8° | 95.0° |
| C7 | C3 | C4 | H2 | 70.2° | 177.5° |
| C7 | C3 | C4 | H3 | 170.0° | 62.3° |
| C3 | C7 | C6 | H6 | 121.8° | 60.9° |
| C3 | C7 | C6 | H7 | 119.1° | 179.2° |
| C3 | C7 | H8 | H9 | 119.3° | 120.0° |
| C7 | C6 | H6 | H7 | 118.6° | 120.0° |
| C6 | C7 | H8 | H9 | 119.4° | 120.2° |
| C6 | C7 | C3 | H17 | 62.6° | 177.6° |
| N1 | C2 | O1 | C1 | 179.5° | 180.0° |
| N1 | C2 | C1 | H14 | 179.5° | 0.0° |
| N1 | C2 | C1 | H15 | 59.5° | 120.1° |
| N1 | C2 | C1 | H16 | 60.5° | 120.0° |
| C2 | N1 | C3 | H17 | 167.9° | 34.8° |
| O1 | C2 | N1 | H1 | 179.0° | 180.0° |
| O1 | C2 | C1 | H14 | 0.0° | 180.0° |
| O1 | C2 | C1 | H15 | 120.0° | 60.0° |
| O1 | C2 | C1 | H16 | 120.0° | 60.0° |
| C1 | C2 | N1 | H1 | 1.5° | 0.0° |
| C2 | C1 | H14 | H15 | 120.0° | 120.0° |
| C2 | C1 | H14 | H16 | 120.0° | 120.0° |
| C2 | C1 | H15 | H16 | 120.0° | 120.0° |
| H1 | N1 | C3 | H17 | 12.1° | 144.9° |
| H2 | C4 | C5 | H4 | 4.9° | 60.9° |
| H2 | C4 | C5 | H5 | 113.9° | 59.1° |
| H2 | C4 | C3 | H17 | 174.9° | 62.5° |
| H3 | C4 | C5 | H4 | 124.7° | 59.3° |
| H3 | C4 | C5 | H5 | 5.9° | 179.2° |
| H3 | C4 | C3 | H17 | 55.1° | 57.6° |
| H6 | C6 | C7 | H8 | 118.0° | 179.2° |
| H6 | C6 | C7 | H9 | 1.7° | 59.1° |
| H7 | C6 | C7 | H8 | 1.2° | 59.3° |
| H7 | C6 | C7 | H9 | 120.8° | 60.8° |
| H8 | C7 | C3 | H17 | 177.2° | 57.6° |
| H9 | C7 | C3 | H17 | 57.6° | 62.4° |
| H12 | C10 | C11 | H19 | 0.1° | 0.3° |
| H13 | C13 | C12 | H20 | 0.0° | 0.1° |
| H13 | C13 | C14 | H21 | 0.4° | 0.0° |
| H14 | C1 | H15 | H16 | 120.0° | 120.0° |
| H19 | C11 | C12 | H20 | 0.1° | 0.1° |
