RUI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C2 | doub | 1.26Å | 1.26Å | |
| C2 | N | sing | 1.37Å | 1.37Å | Aromatic |
| C2 | C | sing | 1.48Å | 1.48Å | Aromatic |
| N | C4 | sing | 1.36Å | 1.36Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C1 | sing | 1.47Å | 1.47Å | Aromatic |
| C3 | RU | sing | 2.14Å | 2.14Å | |
| C1 | C7 | sing | 1.37Å | 1.37Å | Aromatic |
| C1 | C | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | N1 | sing | 1.32Å | 1.32Å | Aromatic |
| C7 | C8 | doub | 1.39Å | 1.39Å | Aromatic |
| N1 | C9 | doub | 1.34Å | 1.34Å | Aromatic |
| N1 | RU | sing | 2.15Å | 2.15Å | |
| C9 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C10 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | C | sing | 1.40Å | 1.40Å | Aromatic |
| O11 | C13 | trip | 1.29Å | 1.29Å | |
| C13 | RU | sing | 1.30Å | 1.30Å | |
| RU | C14 | sing | 2.21Å | 2.21Å | |
| RU | C15 | sing | 2.21Å | 2.21Å | |
| RU | C16 | sing | 2.19Å | 2.19Å | |
| RU | C17 | sing | 2.19Å | 2.19Å | |
| RU | C18 | sing | 2.19Å | 2.19Å | |
| C14 | C15 | sing | 1.35Å | 1.35Å | |
| C14 | C18 | doub | 1.35Å | 1.35Å | |
| C15 | C16 | doub | 1.34Å | 1.34Å | |
| C16 | C17 | sing | 1.35Å | 1.35Å | |
| C17 | C18 | sing | 1.35Å | 1.35Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| N | H2 | sing | 1.00Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C2 | N | 120.6° | 120.6° |
| O | C2 | C | 120.1° | 120.1° |
| N | C2 | C | 119.3° | 119.3° |
| C2 | N | C4 | 124.5° | 124.5° |
| C2 | N | H2 | 117.7° | 117.7° |
| C2 | C | C1 | 116.2° | 116.2° |
| C2 | C | C5 | 123.1° | 123.1° |
| N | C4 | C3 | 119.0° | 119.0° |
| N | C4 | H1 | 120.5° | 120.5° |
| C4 | N | H2 | 117.8° | 117.8° |
| C4 | C3 | C1 | 119.4° | 119.4° |
| C4 | C3 | RU | 129.4° | 129.4° |
| C3 | C4 | H1 | 120.5° | 120.5° |
| C1 | C3 | RU | 111.2° | 111.2° |
| C3 | C1 | C7 | 117.4° | 117.4° |
| C3 | C1 | C | 121.7° | 121.7° |
| C3 | RU | N1 | 77.2° | 77.2° |
| C3 | RU | C13 | 94.6° | 94.6° |
| C3 | RU | C14 | 150.3° | 150.3° |
| C3 | RU | C15 | 123.0° | 123.0° |
| C3 | RU | C16 | 92.3° | 92.3° |
| C3 | RU | C17 | 92.5° | 92.5° |
| C3 | RU | C18 | 124.1° | 124.1° |
| C7 | C1 | C | 121.0° | 121.0° |
| C1 | C7 | N1 | 118.2° | 118.2° |
| C1 | C7 | C8 | 119.7° | 119.7° |
| C1 | C | C5 | 120.7° | 120.7° |
| N1 | C7 | C8 | 122.1° | 122.1° |
| C7 | N1 | C9 | 122.6° | 122.6° |
| C7 | N1 | RU | 115.8° | 115.8° |
| C7 | C8 | C10 | 117.6° | 117.6° |
| C7 | C8 | C6 | 119.7° | 119.7° |
| C9 | N1 | RU | 121.2° | 121.2° |
| N1 | C9 | C11 | 118.3° | 118.3° |
| N1 | C9 | H3 | 120.9° | 120.9° |
| N1 | RU | C13 | 97.8° | 97.8° |
| N1 | RU | C14 | 121.7° | 121.7° |
| N1 | RU | C15 | 157.2° | 157.2° |
| N1 | RU | C16 | 147.9° | 147.9° |
| N1 | RU | C17 | 113.6° | 113.6° |
| N1 | RU | C18 | 101.6° | 101.6° |
| C9 | C11 | C10 | 120.3° | 120.3° |
| C11 | C9 | H3 | 120.9° | 120.9° |
| C9 | C11 | H4 | 119.9° | 119.9° |
| C11 | C10 | C8 | 119.0° | 119.0° |
| C10 | C11 | H4 | 119.9° | 119.9° |
| C11 | C10 | H5 | 120.5° | 120.5° |
| C10 | C8 | C6 | 122.7° | 122.7° |
| C8 | C10 | H5 | 120.5° | 120.5° |
| C8 | C6 | C5 | 121.1° | 121.1° |
| C8 | C6 | H6 | 119.5° | 119.5° |
| C6 | C5 | C | 117.8° | 117.8° |
| C5 | C6 | H6 | 119.4° | 119.4° |
| C6 | C5 | H7 | 121.1° | 121.1° |
| C | C5 | H7 | 121.1° | 121.1° |
| O11 | C13 | RU | 179.6° | 179.6° |
| C13 | RU | C14 | 104.2° | 104.2° |
| C13 | RU | C15 | 91.3° | 91.3° |
| C13 | RU | C16 | 113.4° | 113.4° |
| C13 | RU | C17 | 148.6° | 148.6° |
| C13 | RU | C18 | 139.5° | 139.5° |
| C14 | RU | C15 | 35.5° | 35.5° |
| C14 | RU | C16 | 59.3° | 59.3° |
| C14 | RU | C17 | 59.7° | 59.7° |
| C14 | RU | C18 | 35.9° | 35.9° |
| RU | C14 | C15 | 72.2° | 72.2° |
| RU | C14 | C18 | 71.3° | 71.3° |
| C15 | RU | C16 | 35.5° | 35.5° |
| C15 | RU | C17 | 59.6° | 59.6° |
| C15 | RU | C18 | 59.5° | 59.5° |
| RU | C15 | C14 | 72.3° | 72.3° |
| RU | C15 | C16 | 71.6° | 71.6° |
| C16 | RU | C17 | 35.7° | 35.7° |
| C16 | RU | C18 | 59.4° | 59.4° |
| RU | C16 | C15 | 72.9° | 72.9° |
| RU | C16 | C17 | 72.1° | 72.1° |
| C17 | RU | C18 | 35.9° | 35.9° |
| RU | C17 | C16 | 72.1° | 72.1° |
| RU | C17 | C18 | 72.0° | 72.0° |
| RU | C18 | C14 | 72.8° | 72.8° |
| RU | C18 | C17 | 72.1° | 72.1° |
| C15 | C14 | C18 | 107.7° | 107.7° |
| C14 | C15 | C16 | 107.9° | 107.9° |
| C14 | C18 | C17 | 108.2° | 108.2° |
| C15 | C16 | C17 | 108.8° | 108.8° |
| C16 | C17 | C18 | 107.4° | 107.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C2 | N | C | 179.9° | 179.9° |
| O | C2 | N | C4 | 179.7° | 179.7° |
| O | C2 | C | C1 | 179.9° | 179.9° |
| O | C2 | C | C5 | 0.2° | 0.2° |
| O | C2 | N | H2 | 0.2° | 0.2° |
| C2 | N | C4 | H2 | 180.0° | 180.0° |
| C2 | N | C4 | C3 | 0.8° | 0.8° |
| N | C2 | C | C1 | 0.0° | 0.0° |
| N | C2 | C | C5 | 179.7° | 179.7° |
| C2 | N | C4 | H1 | 179.3° | 179.3° |
| C | C2 | N | C4 | 0.1° | 0.1° |
| C2 | C | C1 | C3 | 1.0° | 1.0° |
| C2 | C | C1 | C7 | 179.7° | 179.7° |
| C2 | C | C1 | C5 | 179.7° | 179.7° |
| C2 | C | C5 | C6 | 178.9° | 178.9° |
| C2 | C | C5 | H7 | 1.1° | 1.1° |
| C | C2 | N | H2 | 179.9° | 179.9° |
| N | C4 | C3 | H1 | 180.0° | 180.0° |
| N | C4 | C3 | C1 | 1.7° | 1.7° |
| N | C4 | C3 | RU | 179.9° | 179.9° |
| C4 | C3 | C1 | RU | 178.5° | 178.5° |
| C4 | C3 | C1 | C7 | 178.8° | 178.8° |
| C4 | C3 | C1 | C | 1.9° | 1.9° |
| C4 | C3 | RU | N1 | 177.0° | 177.0° |
| C4 | C3 | RU | C13 | 80.1° | 80.1° |
| C4 | C3 | RU | C14 | 49.5° | 49.5° |
| C4 | C3 | RU | C15 | 14.5° | 14.5° |
| C4 | C3 | RU | C16 | 33.6° | 33.6° |
| C4 | C3 | RU | C17 | 69.3° | 69.3° |
| C4 | C3 | RU | C18 | 87.6° | 87.6° |
| C3 | C4 | N | H2 | 179.2° | 179.2° |
| C3 | C1 | C7 | C | 179.4° | 179.4° |
| C3 | C1 | C7 | N1 | 2.8° | 2.8° |
| C3 | C1 | C7 | C8 | 179.7° | 179.7° |
| C1 | C3 | RU | N1 | 1.3° | 1.3° |
| C3 | C1 | C | C5 | 178.7° | 178.7° |
| C1 | C3 | RU | C13 | 98.3° | 98.3° |
| C1 | C3 | RU | C14 | 132.2° | 132.2° |
| C1 | C3 | RU | C15 | 167.1° | 167.1° |
| C1 | C3 | RU | C16 | 148.1° | 148.1° |
| C1 | C3 | RU | C17 | 112.3° | 112.3° |
| C1 | C3 | RU | C18 | 94.1° | 94.1° |
| C1 | C3 | C4 | H1 | 178.3° | 178.3° |
| RU | C3 | C1 | C7 | 0.2° | 0.2° |
| RU | C3 | C1 | C | 179.6° | 179.6° |
| C3 | RU | N1 | C7 | 2.9° | 2.9° |
| C3 | RU | N1 | C9 | 176.5° | 176.5° |
| C3 | RU | N1 | C13 | 93.0° | 93.0° |
| C3 | RU | N1 | C14 | 155.0° | 155.0° |
| C3 | RU | N1 | C15 | 154.4° | 154.4° |
| C3 | RU | N1 | C16 | 73.4° | 73.4° |
| C3 | RU | N1 | C17 | 87.2° | 87.2° |
| C3 | RU | N1 | C18 | 122.8° | 122.8° |
| C3 | RU | C13 | O11 | 172.6° | 172.6° |
| C3 | RU | C13 | C14 | 156.8° | 156.8° |
| C3 | RU | C13 | C15 | 123.3° | 123.3° |
| C3 | RU | C13 | C16 | 94.5° | 94.5° |
| C3 | RU | C13 | C17 | 102.6° | 102.6° |
| C3 | RU | C13 | C18 | 164.2° | 164.2° |
| C3 | RU | C14 | C15 | 55.8° | 55.8° |
| C3 | RU | C14 | C16 | 18.6° | 18.6° |
| C3 | RU | C14 | C17 | 23.2° | 23.2° |
| C3 | RU | C14 | C18 | 60.6° | 60.6° |
| C3 | RU | C15 | C16 | 34.1° | 34.1° |
| C3 | RU | C15 | C17 | 71.3° | 71.3° |
| C3 | RU | C15 | C18 | 113.2° | 113.2° |
| C3 | RU | C16 | C17 | 91.2° | 91.2° |
| C3 | RU | C16 | C18 | 129.0° | 129.0° |
| C3 | RU | C17 | C18 | 153.8° | 153.8° |
| RU | C3 | C4 | H1 | 0.1° | 0.1° |
| C1 | C7 | N1 | C8 | 177.4° | 177.4° |
| C1 | C7 | N1 | C9 | 177.5° | 177.5° |
| C1 | C7 | N1 | RU | 4.0° | 4.0° |
| C1 | C7 | C8 | C10 | 179.1° | 179.1° |
| C1 | C7 | C8 | C6 | 0.5° | 0.5° |
| C7 | C1 | C | C5 | 0.6° | 0.6° |
| C | C1 | C7 | N1 | 177.8° | 177.8° |
| C | C1 | C7 | C8 | 0.4° | 0.4° |
| C1 | C | C5 | C6 | 1.4° | 1.4° |
| C1 | C | C5 | H7 | 178.6° | 178.6° |
| C7 | N1 | C9 | RU | 173.1° | 173.1° |
| C7 | N1 | C9 | C11 | 4.2° | 4.2° |
| N1 | C7 | C8 | C10 | 3.5° | 3.5° |
| N1 | C7 | C8 | C6 | 177.9° | 177.9° |
| C7 | N1 | RU | C13 | 95.9° | 95.9° |
| C7 | N1 | RU | C14 | 152.1° | 152.1° |
| C7 | N1 | RU | C15 | 151.4° | 151.4° |
| C7 | N1 | RU | C16 | 70.5° | 70.5° |
| C7 | N1 | RU | C17 | 84.2° | 84.2° |
| C7 | N1 | RU | C18 | 119.8° | 119.8° |
| C7 | N1 | C9 | H3 | 175.8° | 175.8° |
| C8 | C7 | N1 | C9 | 5.1° | 5.1° |
| C8 | C7 | N1 | RU | 178.6° | 178.6° |
| C7 | C8 | C10 | C11 | 1.3° | 1.3° |
| C7 | C8 | C10 | C6 | 178.6° | 178.6° |
| C7 | C8 | C6 | C5 | 0.3° | 0.3° |
| C7 | C8 | C10 | H5 | 178.7° | 178.7° |
| C7 | C8 | C6 | H6 | 179.7° | 179.7° |
| N1 | C9 | C11 | H3 | 180.0° | 180.0° |
| N1 | C9 | C11 | C10 | 2.0° | 2.0° |
| C9 | N1 | RU | C13 | 90.6° | 90.6° |
| C9 | N1 | RU | C14 | 21.5° | 21.5° |
| C9 | N1 | RU | C15 | 22.1° | 22.1° |
| C9 | N1 | RU | C16 | 103.1° | 103.1° |
| C9 | N1 | RU | C17 | 89.3° | 89.3° |
| C9 | N1 | RU | C18 | 53.7° | 53.7° |
| N1 | C9 | C11 | H4 | 178.0° | 178.0° |
| RU | N1 | C9 | C11 | 177.3° | 177.3° |
| N1 | RU | C13 | O11 | 109.8° | 109.8° |
| N1 | RU | C13 | C14 | 125.5° | 125.5° |
| N1 | RU | C13 | C15 | 159.1° | 159.1° |
| N1 | RU | C13 | C16 | 172.2° | 172.2° |
| N1 | RU | C13 | C17 | 179.7° | 179.7° |
| N1 | RU | C13 | C18 | 118.1° | 118.1° |
| N1 | RU | C14 | C15 | 179.6° | 179.6° |
| N1 | RU | C14 | C16 | 142.4° | 142.4° |
| N1 | RU | C14 | C17 | 100.6° | 100.6° |
| N1 | RU | C14 | C18 | 63.2° | 63.2° |
| N1 | RU | C15 | C16 | 115.6° | 115.6° |
| N1 | RU | C15 | C17 | 78.5° | 78.5° |
| N1 | RU | C15 | C18 | 36.6° | 36.6° |
| N1 | RU | C16 | C17 | 21.9° | 21.9° |
| N1 | RU | C16 | C18 | 59.7° | 59.7° |
| N1 | RU | C17 | C18 | 76.7° | 76.7° |
| RU | N1 | C9 | H3 | 2.7° | 2.7° |
| C9 | C11 | C10 | H4 | 180.0° | 180.0° |
| C9 | C11 | C10 | C8 | 0.6° | 0.6° |
| C9 | C11 | C10 | H5 | 179.4° | 179.4° |
| C11 | C10 | C8 | H5 | 180.0° | 180.0° |
| C11 | C10 | C8 | C6 | 179.9° | 179.9° |
| C10 | C11 | C9 | H3 | 178.0° | 178.0° |
| C10 | C8 | C6 | C5 | 178.2° | 178.2° |
| C8 | C10 | C11 | H4 | 179.4° | 179.4° |
| C10 | C8 | C6 | H6 | 1.7° | 1.7° |
| C8 | C6 | C5 | H6 | 180.0° | 180.0° |
| C8 | C6 | C5 | C | 1.2° | 1.2° |
| C6 | C8 | C10 | H5 | 0.1° | 0.1° |
| C8 | C6 | C5 | H7 | 178.8° | 178.8° |
| C6 | C5 | C | H7 | 180.0° | 180.0° |
| C | C5 | C6 | H6 | 178.8° | 178.8° |
| O11 | C13 | RU | C14 | 15.8° | 15.8° |
| O11 | C13 | RU | C15 | 49.3° | 49.3° |
| O11 | C13 | RU | C16 | 78.1° | 78.1° |
| O11 | C13 | RU | C17 | 70.0° | 70.0° |
| O11 | C13 | RU | C18 | 8.4° | 8.4° |
| C13 | RU | C14 | C15 | 71.8° | 71.8° |
| C13 | RU | C14 | C16 | 109.0° | 109.0° |
| C13 | RU | C14 | C17 | 150.7° | 150.7° |
| C13 | RU | C14 | C18 | 171.8° | 171.8° |
| C13 | RU | C15 | C16 | 130.5° | 130.5° |
| C13 | RU | C15 | C17 | 167.7° | 167.7° |
| C13 | RU | C15 | C18 | 150.4° | 150.4° |
| C13 | RU | C16 | C17 | 172.8° | 172.8° |
| C13 | RU | C16 | C18 | 135.0° | 135.0° |
| C13 | RU | C17 | C18 | 103.0° | 103.0° |
| C14 | RU | C15 | C16 | 116.6° | 116.6° |
| C14 | RU | C15 | C17 | 79.4° | 79.4° |
| C14 | RU | C15 | C18 | 37.5° | 37.5° |
| C14 | RU | C16 | C17 | 79.7° | 79.7° |
| C14 | RU | C16 | C18 | 41.9° | 41.9° |
| C14 | RU | C17 | C18 | 37.5° | 37.5° |
| C15 | RU | C16 | C17 | 116.9° | 116.9° |
| C15 | RU | C16 | C18 | 79.1° | 79.1° |
| C15 | RU | C17 | C18 | 78.9° | 78.9° |
| C16 | RU | C17 | C18 | 115.8° | 115.8° |
| C14 | C15 | C16 | C17 | 0.1° | 0.1° |
| C15 | C14 | C18 | C17 | 0.4° | 0.4° |
| C18 | C14 | C15 | C16 | 0.2° | 0.2° |
| C14 | C18 | C17 | C16 | 0.5° | 0.5° |
| C15 | C16 | C17 | C18 | 0.4° | 0.4° |
| H1 | C4 | N | H2 | 0.7° | 0.7° |
| H3 | C9 | C11 | H4 | 2.0° | 2.0° |
| H4 | C11 | C10 | H5 | 0.6° | 0.6° |
| H6 | C6 | C5 | H7 | 1.2° | 1.2° |
