R9V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C | sing | 1.38Å | 1.37Å | Aromatic |
| C3 | C6 | sing | 1.51Å | 1.50Å | |
| C3 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | N | sing | 1.47Å | 1.52Å | |
| C | C1 | doub | 1.38Å | 1.37Å | Aromatic |
| C8 | C9 | sing | 1.54Å | 1.54Å | |
| C8 | C7 | sing | 1.55Å | 1.53Å | |
| C9 | C10 | sing | 1.55Å | 1.53Å | |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| N | C7 | sing | 1.49Å | 1.51Å | |
| N | C10 | sing | 1.50Å | 1.51Å | |
| C7 | C13 | sing | 1.54Å | 1.52Å | |
| C10 | C11 | sing | 1.54Å | 1.52Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| O | C12 | sing | 1.43Å | 1.42Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| O | H16 | sing | 0.97Å | 0.95Å | |
| C2 | H18 | sing | 1.08Å | 1.08Å | |
| C1 | H19 | sing | 1.08Å | 1.08Å | |
| C | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | C3 | 120.5° | 120.0° |
| C4 | C5 | C | 120.4° | 120.0° |
| C5 | C4 | H1 | 119.7° | 119.9° |
| C4 | C5 | H2 | 119.8° | 120.1° |
| C4 | C3 | C6 | 120.6° | 120.0° |
| C4 | C3 | C2 | 118.4° | 120.0° |
| C3 | C4 | H1 | 119.7° | 120.0° |
| C5 | C | C1 | 119.7° | 120.0° |
| C | C5 | H2 | 119.8° | 119.9° |
| C5 | C | H20 | 120.2° | 120.0° |
| C6 | C3 | C2 | 121.0° | 120.0° |
| C3 | C6 | N | 112.5° | 109.5° |
| C3 | C6 | H3 | 108.7° | 109.5° |
| C3 | C6 | H4 | 108.7° | 109.5° |
| C3 | C2 | C1 | 120.9° | 120.0° |
| C3 | C2 | H18 | 119.6° | 120.0° |
| C6 | N | C7 | 114.7° | 111.0° |
| C6 | N | C10 | 113.8° | 111.0° |
| N | C6 | H3 | 108.7° | 109.5° |
| N | C6 | H4 | 108.7° | 109.5° |
| C | C1 | C2 | 120.2° | 120.1° |
| C | C1 | H19 | 119.9° | 120.0° |
| C1 | C | H20 | 120.2° | 120.0° |
| C9 | C8 | C7 | 105.2° | 104.8° |
| C8 | C9 | C10 | 105.2° | 104.8° |
| C9 | C8 | H6 | 110.5° | 110.3° |
| C9 | C8 | H7 | 110.5° | 110.3° |
| C8 | C9 | H8 | 110.5° | 110.4° |
| C8 | C9 | H9 | 110.6° | 110.4° |
| C8 | C7 | N | 102.6° | 104.8° |
| C8 | C7 | C13 | 113.9° | 107.8° |
| C8 | C7 | H5 | 110.9° | 112.1° |
| C7 | C8 | H6 | 110.5° | 110.4° |
| C7 | C8 | H7 | 110.5° | 110.4° |
| C9 | C10 | N | 102.1° | 104.4° |
| C9 | C10 | C11 | 114.3° | 107.8° |
| C10 | C9 | H8 | 110.5° | 110.4° |
| C10 | C9 | H9 | 110.5° | 110.4° |
| C9 | C10 | H10 | 110.9° | 112.2° |
| C1 | C2 | H18 | 119.6° | 120.0° |
| C2 | C1 | H19 | 119.9° | 120.0° |
| C7 | N | C10 | 101.4° | 102.7° |
| N | C7 | C13 | 107.0° | 107.3° |
| N | C7 | H5 | 111.1° | 112.2° |
| N | C10 | C11 | 107.2° | 107.1° |
| N | C10 | H10 | 111.1° | 112.7° |
| C7 | C13 | C12 | 114.9° | 108.9° |
| C13 | C7 | H5 | 111.0° | 112.2° |
| C7 | C13 | H14 | 108.1° | 109.6° |
| C7 | C13 | H15 | 108.1° | 109.5° |
| C10 | C11 | C12 | 115.1° | 108.9° |
| C11 | C10 | H10 | 111.0° | 112.2° |
| C10 | C11 | H11 | 108.1° | 109.5° |
| C10 | C11 | H12 | 108.1° | 109.5° |
| C13 | C12 | C11 | 112.6° | 109.8° |
| C13 | C12 | O | 110.0° | 109.4° |
| C13 | C12 | H13 | 107.7° | 109.4° |
| C12 | C13 | H14 | 108.1° | 109.1° |
| C12 | C13 | H15 | 108.1° | 110.1° |
| C11 | C12 | O | 109.8° | 109.4° |
| C12 | C11 | H11 | 108.1° | 109.6° |
| C12 | C11 | H12 | 108.0° | 109.6° |
| C11 | C12 | H13 | 107.7° | 109.4° |
| O | C12 | H13 | 109.0° | 109.4° |
| C12 | O | H16 | 109.5° | 114.0° |
| H3 | C6 | H4 | 109.5° | 109.5° |
| H6 | C8 | H7 | 109.5° | 110.5° |
| H8 | C9 | H9 | 109.4° | 110.4° |
| H11 | C11 | H12 | 109.4° | 109.7° |
| H14 | C13 | H15 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | C3 | H1 | 180.0° | 179.8° |
| C4 | C5 | C | H2 | 180.0° | 179.9° |
| C5 | C4 | C3 | C6 | 178.7° | 180.0° |
| C5 | C4 | C3 | C2 | 0.3° | 0.0° |
| C4 | C5 | C | C1 | 0.7° | 0.1° |
| C4 | C5 | C | H20 | 179.4° | 180.0° |
| C3 | C4 | C5 | C | 0.9° | 0.1° |
| C4 | C3 | C6 | C2 | 178.3° | 180.0° |
| C4 | C3 | C6 | N | 101.1° | 90.0° |
| C4 | C3 | C2 | C1 | 0.5° | 0.0° |
| C3 | C4 | C5 | H2 | 179.1° | 180.0° |
| C4 | C3 | C6 | H3 | 19.4° | 30.0° |
| C4 | C3 | C6 | H4 | 138.5° | 150.0° |
| C4 | C3 | C2 | H18 | 179.5° | 180.0° |
| C5 | C | C1 | H20 | 180.0° | 180.0° |
| C5 | C | C1 | C2 | 0.2° | 0.1° |
| C | C5 | C4 | H1 | 179.1° | 179.8° |
| C5 | C | C1 | H19 | 179.8° | 179.9° |
| C3 | C6 | N | H3 | 120.4° | 120.0° |
| C3 | C6 | N | H4 | 120.4° | 120.0° |
| C6 | C3 | C2 | C1 | 177.9° | 180.0° |
| C3 | C6 | N | C7 | 178.7° | 170.0° |
| C3 | C6 | N | C10 | 62.5° | 76.4° |
| C6 | C3 | C4 | H1 | 1.3° | 0.2° |
| C3 | C6 | H3 | H4 | 118.6° | 120.0° |
| C6 | C3 | C2 | H18 | 2.1° | 0.0° |
| C2 | C3 | C6 | N | 77.3° | 90.0° |
| C3 | C2 | C1 | C | 0.8° | 0.1° |
| C3 | C2 | C1 | H18 | 180.0° | 180.0° |
| C2 | C3 | C4 | H1 | 179.7° | 179.8° |
| C2 | C3 | C6 | H3 | 162.3° | 150.0° |
| C2 | C3 | C6 | H4 | 43.2° | 30.0° |
| C3 | C2 | C1 | H19 | 179.2° | 179.9° |
| C6 | N | C7 | C8 | 77.4° | 77.2° |
| C6 | N | C10 | C9 | 77.0° | 77.3° |
| C6 | N | C7 | C10 | 123.1° | 118.7° |
| C6 | N | C7 | C13 | 162.4° | 168.4° |
| C6 | N | C10 | C11 | 162.6° | 168.5° |
| N | C6 | H3 | H4 | 118.6° | 120.0° |
| C6 | N | C7 | H5 | 41.1° | 44.7° |
| C6 | N | C10 | H10 | 41.3° | 44.7° |
| C | C1 | C2 | H19 | 180.0° | 179.9° |
| C1 | C | C5 | H2 | 179.4° | 180.0° |
| C | C1 | C2 | H18 | 179.3° | 180.0° |
| C9 | C8 | C7 | H6 | 119.3° | 118.8° |
| C9 | C8 | C7 | H7 | 119.3° | 118.8° |
| C8 | C9 | C10 | H8 | 119.3° | 118.8° |
| C8 | C9 | C10 | H9 | 119.3° | 118.8° |
| C9 | C8 | C7 | N | 26.8° | 25.5° |
| C8 | C9 | C10 | N | 29.7° | 25.1° |
| C9 | C8 | C7 | C13 | 88.3° | 88.6° |
| C8 | C9 | C10 | C11 | 85.6° | 88.6° |
| C9 | C8 | C7 | H5 | 145.6° | 147.5° |
| C9 | C8 | H6 | H7 | 121.9° | 122.3° |
| C8 | C9 | H8 | H9 | 122.0° | 122.3° |
| C8 | C9 | C10 | H10 | 148.1° | 147.4° |
| C7 | C8 | C9 | C10 | 1.8° | 0.0° |
| C8 | C7 | N | C13 | 120.1° | 114.4° |
| C8 | C7 | N | H5 | 118.5° | 121.9° |
| C8 | C7 | N | C10 | 45.7° | 41.5° |
| C8 | C7 | C13 | H5 | 126.0° | 123.9° |
| C8 | C7 | C13 | C12 | 55.7° | 47.7° |
| C7 | C8 | H6 | H7 | 122.0° | 122.4° |
| C7 | C8 | C9 | H8 | 117.5° | 118.8° |
| C7 | C8 | C9 | H9 | 121.1° | 118.8° |
| C8 | C7 | C13 | H14 | 65.0° | 71.5° |
| C8 | C7 | C13 | H15 | 176.5° | 168.1° |
| C9 | C10 | N | C7 | 46.7° | 41.4° |
| C9 | C10 | N | C11 | 120.4° | 114.2° |
| C9 | C10 | N | H10 | 118.2° | 122.0° |
| C9 | C10 | C11 | H10 | 126.2° | 124.0° |
| C9 | C10 | C11 | C12 | 56.8° | 47.6° |
| C10 | C9 | C8 | H6 | 117.6° | 118.8° |
| C10 | C9 | C8 | H7 | 121.1° | 118.8° |
| C10 | C9 | H8 | H9 | 122.0° | 122.3° |
| C9 | C10 | C11 | H11 | 177.7° | 167.5° |
| C9 | C10 | C11 | H12 | 64.0° | 72.2° |
| C2 | C1 | C | H20 | 179.8° | 180.0° |
| N | C7 | C13 | H5 | 121.4° | 123.7° |
| C7 | N | C10 | C11 | 73.7° | 72.8° |
| N | C7 | C13 | C12 | 56.8° | 64.7° |
| C7 | N | C6 | H3 | 58.2° | 50.0° |
| C7 | N | C6 | H4 | 60.9° | 70.0° |
| N | C7 | C8 | H6 | 146.2° | 93.3° |
| N | C7 | C8 | H7 | 92.5° | 144.3° |
| C7 | N | C10 | H10 | 165.0° | 163.4° |
| N | C7 | C13 | H14 | 177.6° | 176.1° |
| N | C7 | C13 | H15 | 64.0° | 55.8° |
| C10 | N | C7 | C13 | 74.4° | 72.9° |
| N | C10 | C11 | H10 | 121.4° | 124.1° |
| N | C10 | C11 | C12 | 55.5° | 64.2° |
| C10 | N | C6 | H3 | 57.9° | 163.6° |
| C10 | N | C6 | H4 | 177.1° | 43.6° |
| C10 | N | C7 | H5 | 164.2° | 163.5° |
| N | C10 | C9 | H8 | 89.6° | 93.7° |
| N | C10 | C9 | H9 | 149.1° | 144.0° |
| N | C10 | C11 | H11 | 65.3° | 55.6° |
| N | C10 | C11 | H12 | 176.3° | 175.9° |
| C7 | C13 | C12 | H14 | 120.8° | 119.6° |
| C7 | C13 | C12 | H15 | 120.8° | 120.1° |
| C7 | C13 | C12 | C11 | 35.3° | 54.0° |
| C7 | C13 | C12 | O | 87.5° | 66.1° |
| C13 | C7 | C8 | H6 | 31.0° | 152.6° |
| C13 | C7 | C8 | H7 | 152.3° | 30.2° |
| C7 | C13 | C12 | H13 | 153.9° | 174.1° |
| C7 | C13 | H14 | H15 | 117.5° | 120.3° |
| C10 | C11 | C12 | C13 | 34.7° | 54.0° |
| C10 | C11 | C12 | H11 | 120.8° | 119.8° |
| C10 | C11 | C12 | H12 | 120.8° | 119.8° |
| C10 | C11 | C12 | O | 88.3° | 66.1° |
| C11 | C10 | C9 | H8 | 155.1° | 152.6° |
| C11 | C10 | C9 | H9 | 33.7° | 30.3° |
| C10 | C11 | H11 | H12 | 117.4° | 120.2° |
| C10 | C11 | C12 | H13 | 153.2° | 174.0° |
| C13 | C12 | C11 | O | 122.9° | 120.1° |
| C13 | C12 | C11 | H13 | 118.6° | 120.1° |
| C13 | C12 | O | H13 | 117.8° | 119.8° |
| C12 | C13 | C7 | H5 | 178.3° | 171.6° |
| C13 | C12 | C11 | H11 | 86.2° | 65.8° |
| C13 | C12 | C11 | H12 | 155.5° | 173.8° |
| C12 | C13 | H14 | H15 | 117.6° | 120.6° |
| C13 | C12 | O | H16 | 180.0° | 59.7° |
| C11 | C12 | O | H13 | 117.7° | 119.9° |
| C12 | C11 | C10 | H10 | 176.9° | 171.6° |
| C12 | C11 | H11 | H12 | 117.4° | 120.4° |
| C11 | C12 | C13 | H14 | 156.1° | 173.5° |
| C11 | C12 | C13 | H15 | 85.5° | 66.1° |
| C11 | C12 | O | H16 | 55.5° | 180.0° |
| O | C12 | C11 | H11 | 150.9° | 174.2° |
| O | C12 | C11 | H12 | 32.5° | 53.7° |
| O | C12 | C13 | H14 | 33.3° | 53.4° |
| O | C12 | C13 | H15 | 151.7° | 173.8° |
| H1 | C4 | C5 | H2 | 0.9° | 0.2° |
| H2 | C5 | C | H20 | 0.6° | 0.0° |
| H5 | C7 | C8 | H6 | 95.1° | 28.7° |
| H5 | C7 | C8 | H7 | 26.3° | 93.7° |
| H5 | C7 | C13 | H14 | 61.0° | 52.4° |
| H5 | C7 | C13 | H15 | 57.5° | 67.9° |
| H6 | C8 | C9 | H8 | 123.1° | 0.0° |
| H6 | C8 | C9 | H9 | 1.8° | 122.3° |
| H7 | C8 | C9 | H8 | 1.8° | 122.3° |
| H7 | C8 | C9 | H9 | 119.5° | 0.0° |
| H8 | C9 | C10 | H10 | 28.8° | 28.6° |
| H9 | C9 | C10 | H10 | 92.5° | 93.7° |
| H10 | C10 | C11 | H11 | 56.1° | 68.5° |
| H10 | C10 | C11 | H12 | 62.2° | 51.8° |
| H11 | C11 | C12 | H13 | 32.4° | 54.3° |
| H12 | C11 | C12 | H13 | 85.9° | 66.2° |
| H13 | C12 | C13 | H14 | 85.3° | 66.4° |
| H13 | C12 | C13 | H15 | 33.1° | 54.0° |
| H13 | C12 | O | H16 | 62.2° | 60.1° |
| H18 | C2 | C1 | H19 | 0.7° | 0.1° |
| H19 | C1 | C | H20 | 0.2° | 0.1° |
