R11
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | doub | 1.30Å | 1.32Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| N2 | C1 | sing | 1.38Å | 1.32Å | |
| N2 | HN21 | sing | 0.97Å | 1.02Å | |
| N2 | HN22 | sing | 0.97Å | 1.02Å | |
| C1 | C2 | sing | 1.48Å | 1.41Å | |
| C2 | C3 | doub | 1.40Å | 1.43Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.44Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | HC3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | doub | 1.39Å | 1.42Å | Aromatic |
| C4 | HC4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | N | sing | 1.39Å | 1.44Å | |
| C6 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| C6 | HC6 | sing | 1.08Å | 1.10Å | |
| C7 | HC7 | sing | 1.08Å | 1.10Å | |
| N | C | sing | 1.46Å | 1.49Å | |
| N | HN | sing | 0.97Å | 1.02Å | |
| C | C8 | sing | 1.51Å | 1.54Å | |
| C | H1C | sing | 1.09Å | 1.11Å | |
| C | H2C | sing | 1.09Å | 1.12Å | |
| N3 | C8 | doub | 1.30Å | 1.40Å | Aromatic |
| N3 | C7A | sing | 1.36Å | 1.37Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.42Å | Aromatic |
| N9 | C3A | sing | 1.38Å | 1.40Å | Aromatic |
| N9 | C14 | sing | 1.47Å | 1.50Å | |
| C3A | C7A | doub | 1.41Å | 1.45Å | Aromatic |
| C3A | C10 | sing | 1.39Å | 1.43Å | Aromatic |
| C7A | C13 | sing | 1.40Å | 1.43Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | H10C | sing | 1.08Å | 1.10Å | |
| C11 | C12 | sing | 1.39Å | 1.43Å | Aromatic |
| C11 | H11C | sing | 1.08Å | 1.10Å | |
| C12 | C13 | doub | 1.37Å | 1.42Å | Aromatic |
| C12 | C9 | sing | 1.51Å | 1.52Å | |
| C13 | H13C | sing | 1.08Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C14 | H143 | sing | 1.09Å | 1.11Å | |
| C9 | N4 | sing | 1.47Å | 1.50Å | |
| C9 | HC91 | sing | 1.09Å | 1.11Å | |
| C9 | HC92 | sing | 1.09Å | 1.12Å | |
| N4 | C15 | sing | 1.36Å | 1.41Å | Aromatic |
| N4 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | N16 | doub | 1.30Å | 1.40Å | Aromatic |
| C15 | C23 | sing | 1.51Å | 1.53Å | |
| N16 | C17 | sing | 1.36Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.40Å | 1.45Å | Aromatic |
| C17 | C19 | sing | 1.40Å | 1.43Å | Aromatic |
| C18 | C22 | sing | 1.39Å | 1.43Å | Aromatic |
| C19 | C20 | doub | 1.37Å | 1.42Å | Aromatic |
| C19 | H19C | sing | 1.08Å | 1.10Å | |
| C20 | C21 | sing | 1.39Å | 1.42Å | Aromatic |
| C20 | H20C | sing | 1.08Å | 1.10Å | |
| C21 | C22 | doub | 1.38Å | 1.42Å | Aromatic |
| C21 | H21C | sing | 1.08Å | 1.10Å | |
| C22 | H22C | sing | 1.08Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C23 | H233 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | HN1 | 116.3° | 120.0° |
| N1 | C1 | N2 | 110.6° | 120.0° |
| N1 | C1 | C2 | 124.3° | 120.0° |
| C1 | N2 | HN21 | 110.6° | 120.0° |
| C1 | N2 | HN22 | 111.8° | 120.0° |
| N2 | C1 | C2 | 125.1° | 120.0° |
| HN21 | N2 | HN22 | 111.8° | 120.0° |
| C1 | C2 | C3 | 121.0° | 120.1° |
| C1 | C2 | C7 | 122.3° | 120.0° |
| C3 | C2 | C7 | 116.7° | 119.9° |
| C2 | C3 | C4 | 121.6° | 119.9° |
| C2 | C3 | HC3 | 120.2° | 120.1° |
| C2 | C7 | C6 | 121.3° | 119.9° |
| C2 | C7 | HC7 | 120.5° | 120.1° |
| C4 | C3 | HC3 | 118.2° | 120.0° |
| C3 | C4 | C5 | 120.5° | 120.1° |
| C3 | C4 | HC4 | 119.4° | 120.0° |
| C5 | C4 | HC4 | 120.1° | 120.0° |
| C4 | C5 | C6 | 119.6° | 120.0° |
| C4 | C5 | N | 121.5° | 119.9° |
| C6 | C5 | N | 118.9° | 120.1° |
| C5 | C6 | C7 | 120.2° | 120.1° |
| C5 | C6 | HC6 | 119.7° | 119.9° |
| C5 | N | C | 127.1° | 120.0° |
| C5 | N | HN | 106.1° | 120.1° |
| C7 | C6 | HC6 | 120.1° | 120.0° |
| C6 | C7 | HC7 | 118.2° | 120.0° |
| C | N | HN | 106.1° | 120.0° |
| N | C | C8 | 115.3° | 109.5° |
| N | C | H1C | 110.1° | 109.4° |
| N | C | H2C | 110.1° | 109.5° |
| C8 | C | H1C | 110.1° | 109.5° |
| C8 | C | H2C | 110.1° | 109.5° |
| C | C8 | N3 | 117.9° | 125.0° |
| C | C8 | N9 | 121.4° | 125.0° |
| H1C | C | H2C | 100.1° | 109.4° |
| C8 | N3 | C7A | 99.4° | 109.7° |
| N3 | C8 | N9 | 120.7° | 110.1° |
| N3 | C7A | C3A | 111.1° | 106.9° |
| N3 | C7A | C13 | 128.5° | 133.6° |
| C8 | N9 | C3A | 97.9° | 107.4° |
| C8 | N9 | C14 | 130.8° | 126.3° |
| C3A | N9 | C14 | 131.3° | 126.3° |
| N9 | C3A | C7A | 111.0° | 106.0° |
| N9 | C3A | C10 | 129.5° | 134.2° |
| N9 | C14 | H141 | 130.9° | 109.4° |
| N9 | C14 | H142 | 104.7° | 109.5° |
| N9 | C14 | H143 | 104.8° | 109.4° |
| C7A | C3A | C10 | 119.6° | 119.8° |
| C3A | C7A | C13 | 120.4° | 119.5° |
| C3A | C10 | C11 | 119.2° | 119.7° |
| C3A | C10 | H10C | 121.1° | 120.1° |
| C7A | C13 | C12 | 118.8° | 119.9° |
| C7A | C13 | H13C | 120.8° | 120.0° |
| C11 | C10 | H10C | 119.7° | 120.2° |
| C10 | C11 | C12 | 121.1° | 120.5° |
| C10 | C11 | H11C | 118.9° | 119.8° |
| C12 | C11 | H11C | 120.0° | 119.7° |
| C11 | C12 | C13 | 120.9° | 120.7° |
| C11 | C12 | C9 | 119.7° | 119.7° |
| C13 | C12 | C9 | 119.4° | 119.6° |
| C12 | C13 | H13C | 120.4° | 120.1° |
| C12 | C9 | N4 | 115.0° | 109.4° |
| C12 | C9 | HC91 | 110.2° | 109.5° |
| C12 | C9 | HC92 | 110.1° | 109.5° |
| H141 | C14 | H142 | 104.8° | 109.5° |
| H141 | C14 | H143 | 104.8° | 109.5° |
| H142 | C14 | H143 | 104.2° | 109.5° |
| N4 | C9 | HC91 | 110.2° | 109.4° |
| N4 | C9 | HC92 | 110.2° | 109.5° |
| C9 | N4 | C15 | 131.7° | 126.4° |
| C9 | N4 | C18 | 130.4° | 126.3° |
| HC91 | C9 | HC92 | 100.1° | 109.5° |
| C15 | N4 | C18 | 97.9° | 107.3° |
| N4 | C15 | N16 | 121.9° | 110.1° |
| N4 | C15 | C23 | 121.2° | 124.9° |
| N4 | C18 | C17 | 110.7° | 106.0° |
| N4 | C18 | C22 | 129.6° | 134.2° |
| N16 | C15 | C23 | 116.9° | 124.9° |
| C15 | N16 | C17 | 97.8° | 109.6° |
| C15 | C23 | H231 | 121.2° | 109.5° |
| C15 | C23 | H232 | 108.0° | 109.4° |
| C15 | C23 | H233 | 108.0° | 109.4° |
| N16 | C17 | C18 | 111.7° | 106.9° |
| N16 | C17 | C19 | 128.0° | 133.6° |
| C18 | C17 | C19 | 120.3° | 119.5° |
| C17 | C18 | C22 | 119.7° | 119.8° |
| C17 | C19 | C20 | 118.6° | 119.9° |
| C17 | C19 | H19C | 121.3° | 120.1° |
| C18 | C22 | C21 | 119.0° | 119.7° |
| C18 | C22 | H22C | 121.0° | 120.2° |
| C20 | C19 | H19C | 120.1° | 120.0° |
| C19 | C20 | C21 | 121.3° | 120.6° |
| C19 | C20 | H20C | 119.3° | 119.7° |
| C21 | C20 | H20C | 119.3° | 119.7° |
| C20 | C21 | C22 | 121.0° | 120.4° |
| C20 | C21 | H21C | 119.5° | 119.8° |
| C22 | C21 | H21C | 119.5° | 119.8° |
| C21 | C22 | H22C | 120.0° | 120.1° |
| H231 | C23 | H232 | 108.0° | 109.5° |
| H231 | C23 | H233 | 107.9° | 109.5° |
| H232 | C23 | H233 | 101.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | N2 | C2 | 179.2° | 180.0° |
| N1 | C1 | N2 | HN21 | 179.9° | 0.0° |
| N1 | C1 | N2 | HN22 | 54.7° | 180.0° |
| N1 | C1 | C2 | C3 | 6.8° | 0.0° |
| N1 | C1 | C2 | C7 | 173.0° | 180.0° |
| HN1 | N1 | C1 | N2 | 3.3° | 0.0° |
| HN1 | N1 | C1 | C2 | 175.9° | 180.0° |
| C1 | N2 | HN21 | HN22 | 125.3° | 179.9° |
| N2 | C1 | C2 | C3 | 172.3° | 180.0° |
| N2 | C1 | C2 | C7 | 7.8° | 0.0° |
| HN21 | N2 | C1 | C2 | 0.8° | 180.0° |
| HN22 | N2 | C1 | C2 | 124.5° | 0.0° |
| C1 | C2 | C3 | C7 | 179.9° | 180.0° |
| C1 | C2 | C3 | C4 | 179.7° | 179.9° |
| C1 | C2 | C3 | HC3 | 0.2° | 0.0° |
| C1 | C2 | C7 | C6 | 179.8° | 179.8° |
| C1 | C2 | C7 | HC7 | 0.2° | 0.0° |
| C2 | C3 | C4 | HC3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.1° |
| C2 | C3 | C4 | HC4 | 179.9° | 180.0° |
| C3 | C2 | C7 | C6 | 0.1° | 0.2° |
| C3 | C2 | C7 | HC7 | 179.9° | 180.0° |
| C7 | C2 | C3 | C4 | 0.1° | 0.1° |
| C7 | C2 | C3 | HC3 | 179.9° | 180.0° |
| C2 | C7 | C6 | C5 | 0.0° | 0.5° |
| C2 | C7 | C6 | HC7 | 180.0° | 179.8° |
| C2 | C7 | C6 | HC6 | 180.0° | 179.9° |
| C3 | C4 | C5 | HC4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.1° | 0.2° |
| C3 | C4 | C5 | N | 179.9° | 180.0° |
| HC3 | C3 | C4 | C5 | 180.0° | 180.0° |
| HC3 | C3 | C4 | HC4 | 0.1° | 0.0° |
| C4 | C5 | C6 | N | 180.0° | 179.8° |
| C4 | C5 | C6 | C7 | 0.1° | 0.5° |
| C4 | C5 | C6 | HC6 | 179.9° | 179.9° |
| C4 | C5 | N | C | 13.2° | 179.9° |
| C4 | C5 | N | HN | 138.5° | 0.0° |
| HC4 | C4 | C5 | C6 | 180.0° | 179.7° |
| HC4 | C4 | C5 | N | 0.1° | 0.0° |
| C5 | C6 | C7 | HC6 | 180.0° | 179.4° |
| C5 | C6 | C7 | HC7 | 180.0° | 179.7° |
| C6 | C5 | N | C | 166.9° | 0.3° |
| C6 | C5 | N | HN | 41.6° | 179.8° |
| N | C5 | C6 | C7 | 179.9° | 179.7° |
| N | C5 | C6 | HC6 | 0.1° | 0.3° |
| C5 | N | C | HN | 125.3° | 179.9° |
| C5 | N | C | C8 | 60.4° | 180.0° |
| C5 | N | C | H1C | 64.9° | 60.0° |
| C5 | N | C | H2C | 174.3° | 59.9° |
| HC6 | C6 | C7 | HC7 | 0.0° | 0.3° |
| N | C | C8 | H1C | 125.3° | 120.0° |
| N | C | C8 | H2C | 125.2° | 120.1° |
| N | C | H1C | H2C | 115.9° | 119.9° |
| N | C | C8 | N3 | 100.5° | 89.9° |
| N | C | C8 | N9 | 79.2° | 90.0° |
| HN | N | C | C8 | 64.9° | 0.1° |
| HN | N | C | H1C | 169.7° | 120.1° |
| HN | N | C | H2C | 60.3° | 120.0° |
| C8 | C | H1C | H2C | 115.9° | 120.0° |
| C | C8 | N3 | N9 | 179.7° | 180.0° |
| C | C8 | N3 | C7A | 179.0° | 180.0° |
| C | C8 | N9 | C3A | 179.1° | 179.7° |
| C | C8 | N9 | C14 | 0.2° | 0.0° |
| H1C | C | C8 | N3 | 24.8° | 30.1° |
| H1C | C | C8 | N9 | 155.5° | 150.0° |
| H2C | C | C8 | N3 | 134.3° | 150.0° |
| H2C | C | C8 | N9 | 46.1° | 30.0° |
| N3 | C8 | N9 | C3A | 0.5° | 0.3° |
| N3 | C8 | N9 | C14 | 179.9° | 180.0° |
| C8 | N3 | C7A | C3A | 0.5° | 0.2° |
| C8 | N3 | C7A | C13 | 179.4° | 180.0° |
| C7A | N3 | C8 | N9 | 0.7° | 0.0° |
| N3 | C7A | C3A | N9 | 0.3° | 0.4° |
| N3 | C7A | C3A | C13 | 179.9° | 179.8° |
| N3 | C7A | C3A | C10 | 179.8° | 179.7° |
| N3 | C7A | C13 | C12 | 179.9° | 180.0° |
| N3 | C7A | C13 | H13C | 0.2° | 0.0° |
| C8 | N9 | C3A | C14 | 179.3° | 179.7° |
| C8 | N9 | C3A | C7A | 0.1° | 0.4° |
| C8 | N9 | C3A | C10 | 179.8° | 179.5° |
| C8 | N9 | C14 | H141 | 180.0° | 90.1° |
| C8 | N9 | C14 | H142 | 54.7° | 149.9° |
| C8 | N9 | C14 | H143 | 54.7° | 29.9° |
| N9 | C3A | C7A | C10 | 179.9° | 179.3° |
| N9 | C3A | C7A | C13 | 179.6° | 179.8° |
| N9 | C3A | C10 | C11 | 179.3° | 179.6° |
| N9 | C3A | C10 | H10C | 0.7° | 0.7° |
| C3A | N9 | C14 | H141 | 0.9° | 90.3° |
| C3A | N9 | C14 | H142 | 126.2° | 29.7° |
| C3A | N9 | C14 | H143 | 124.4° | 149.7° |
| C14 | N9 | C3A | C7A | 179.4° | 179.9° |
| C14 | N9 | C3A | C10 | 0.5° | 0.8° |
| N9 | C14 | H141 | H142 | 125.3° | 120.0° |
| N9 | C14 | H141 | H143 | 125.3° | 119.9° |
| N9 | C14 | H142 | H143 | 109.8° | 119.9° |
| C7A | C3A | C10 | C11 | 0.6° | 0.5° |
| C7A | C3A | C10 | H10C | 179.4° | 179.7° |
| C3A | C7A | C13 | C12 | 0.0° | 0.2° |
| C3A | C7A | C13 | H13C | 180.0° | 179.8° |
| C10 | C3A | C7A | C13 | 0.3° | 0.5° |
| C3A | C10 | C11 | H10C | 180.0° | 179.8° |
| C3A | C10 | C11 | C12 | 0.6° | 0.2° |
| C3A | C10 | C11 | H11C | 179.4° | 179.8° |
| C7A | C13 | C12 | C11 | 0.1° | 0.1° |
| C7A | C13 | C12 | H13C | 180.0° | 180.0° |
| C7A | C13 | C12 | C9 | 179.4° | 180.0° |
| C10 | C11 | C12 | H11C | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.2° | 0.1° |
| C10 | C11 | C12 | C9 | 179.7° | 180.0° |
| H10C | C10 | C11 | C12 | 179.4° | 180.0° |
| H10C | C10 | C11 | H11C | 0.6° | 0.0° |
| C11 | C12 | C13 | C9 | 179.5° | 179.9° |
| C11 | C12 | C13 | H13C | 179.9° | 180.0° |
| C11 | C12 | C9 | N4 | 26.6° | 90.0° |
| C11 | C12 | C9 | HC91 | 98.7° | 29.9° |
| C11 | C12 | C9 | HC92 | 151.9° | 150.0° |
| H11C | C11 | C12 | C13 | 179.7° | 180.0° |
| H11C | C11 | C12 | C9 | 0.2° | 0.0° |
| C13 | C12 | C9 | N4 | 153.9° | 90.1° |
| C13 | C12 | C9 | HC91 | 80.8° | 150.0° |
| C13 | C12 | C9 | HC92 | 28.6° | 30.0° |
| C9 | C12 | C13 | H13C | 0.6° | 0.0° |
| C12 | C9 | N4 | HC91 | 125.3° | 119.9° |
| C12 | C9 | N4 | HC92 | 125.2° | 120.0° |
| C12 | C9 | HC91 | HC92 | 116.0° | 120.0° |
| C12 | C9 | N4 | C15 | 82.0° | 90.0° |
| C12 | C9 | N4 | C18 | 98.6° | 90.4° |
| H141 | C14 | H142 | H143 | 109.9° | 120.1° |
| N4 | C9 | HC91 | HC92 | 116.1° | 120.1° |
| C9 | N4 | C15 | C18 | 179.6° | 179.7° |
| C9 | N4 | C15 | N16 | 180.0° | 179.9° |
| C9 | N4 | C15 | C23 | 0.8° | 0.0° |
| C9 | N4 | C18 | C17 | 180.0° | 179.9° |
| C9 | N4 | C18 | C22 | 0.2° | 0.8° |
| HC91 | C9 | N4 | C15 | 152.8° | 29.9° |
| HC91 | C9 | N4 | C18 | 26.7° | 149.7° |
| HC92 | C9 | N4 | C15 | 43.2° | 150.0° |
| HC92 | C9 | N4 | C18 | 136.2° | 29.7° |
| N4 | C15 | N16 | C23 | 179.3° | 180.0° |
| N4 | C15 | N16 | C17 | 0.2° | 0.0° |
| C15 | N4 | C18 | C17 | 0.4° | 0.4° |
| C15 | N4 | C18 | C22 | 179.8° | 179.5° |
| N4 | C15 | C23 | H231 | 180.0° | 90.0° |
| N4 | C15 | C23 | H232 | 54.7° | 150.0° |
| N4 | C15 | C23 | H233 | 54.8° | 30.0° |
| C18 | N4 | C15 | N16 | 0.4° | 0.3° |
| C18 | N4 | C15 | C23 | 179.6° | 179.7° |
| N4 | C18 | C17 | N16 | 0.4° | 0.4° |
| N4 | C18 | C17 | C22 | 179.8° | 179.2° |
| N4 | C18 | C17 | C19 | 179.5° | 179.8° |
| N4 | C18 | C22 | C21 | 179.9° | 179.5° |
| N4 | C18 | C22 | H22C | 0.0° | 0.7° |
| C15 | N16 | C17 | C18 | 0.1° | 0.3° |
| C15 | N16 | C17 | C19 | 179.2° | 180.0° |
| N16 | C15 | C23 | H231 | 0.7° | 90.0° |
| N16 | C15 | C23 | H232 | 126.0° | 30.1° |
| N16 | C15 | C23 | H233 | 124.5° | 150.0° |
| C23 | C15 | N16 | C17 | 179.4° | 180.0° |
| C15 | C23 | H231 | H232 | 125.3° | 120.0° |
| C15 | C23 | H231 | H233 | 125.2° | 119.9° |
| C15 | C23 | H232 | H233 | 113.6° | 119.9° |
| N16 | C17 | C18 | C19 | 179.1° | 179.8° |
| N16 | C17 | C18 | C22 | 179.8° | 179.7° |
| N16 | C17 | C19 | C20 | 179.8° | 180.0° |
| N16 | C17 | C19 | H19C | 0.3° | 0.0° |
| C18 | C17 | C19 | C20 | 0.8° | 0.3° |
| C18 | C17 | C19 | H19C | 179.3° | 179.7° |
| C17 | C18 | C22 | C21 | 0.2° | 0.6° |
| C17 | C18 | C22 | H22C | 179.7° | 179.7° |
| C19 | C17 | C18 | C22 | 0.7° | 0.6° |
| C17 | C19 | C20 | H19C | 179.9° | 179.9° |
| C17 | C19 | C20 | C21 | 0.4° | 0.1° |
| C17 | C19 | C20 | H20C | 179.6° | 180.0° |
| C18 | C22 | C21 | C20 | 0.2° | 0.3° |
| C18 | C22 | C21 | H22C | 179.9° | 179.8° |
| C18 | C22 | C21 | H21C | 179.7° | 179.7° |
| C19 | C20 | C21 | H20C | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.1° | 0.1° |
| C19 | C20 | C21 | H21C | 179.8° | 180.0° |
| H19C | C19 | C20 | C21 | 179.7° | 180.0° |
| H19C | C19 | C20 | H20C | 0.4° | 0.1° |
| C20 | C21 | C22 | H21C | 180.0° | 179.9° |
| C20 | C21 | C22 | H22C | 179.8° | 179.9° |
| H20C | C20 | C21 | C22 | 179.9° | 180.0° |
| H20C | C20 | C21 | H21C | 0.1° | 0.1° |
| H21C | C21 | C22 | H22C | 0.2° | 0.0° |
| H231 | C23 | H232 | H233 | 113.5° | 120.1° |
