7RF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C8 | doub | 1.30Å | 1.34Å | |
| N2 | C8 | sing | 1.37Å | 1.34Å | |
| C8 | N1 | sing | 1.38Å | 1.36Å | |
| C4 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.40Å | 1.37Å | Aromatic |
| N1 | C5 | sing | 1.39Å | 1.34Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| O1 | C1 | doub | 1.21Å | 1.25Å | |
| C2 | C1 | sing | 1.47Å | 1.39Å | |
| C2 | C7 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | O2 | sing | 1.35Å | 1.41Å | |
| C18 | C17 | doub | 1.36Å | 1.37Å | Aromatic |
| C18 | C13 | sing | 1.41Å | 1.36Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.40Å | 1.38Å | Aromatic |
| C14 | C9 | sing | 1.38Å | 1.37Å | Aromatic |
| C17 | C16 | sing | 1.41Å | 1.38Å | Aromatic |
| O2 | C9 | sing | 1.36Å | 1.37Å | |
| C13 | C12 | sing | 1.42Å | 1.39Å | Aromatic |
| N5 | C19 | doub | 1.30Å | 1.35Å | |
| C9 | C10 | doub | 1.40Å | 1.41Å | Aromatic |
| C16 | C19 | sing | 1.48Å | 1.43Å | |
| C16 | C15 | doub | 1.38Å | 1.42Å | Aromatic |
| C19 | N4 | sing | 1.38Å | 1.32Å | |
| C12 | C15 | sing | 1.40Å | 1.42Å | Aromatic |
| C12 | C11 | doub | 1.41Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.36Å | 1.41Å | Aromatic |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C18 | H4 | sing | 1.08Å | 1.08Å | |
| C17 | H5 | sing | 1.08Å | 1.08Å | |
| N5 | H6 | sing | 0.97Å | 1.00Å | |
| N4 | H7 | sing | 0.97Å | 1.00Å | |
| N4 | H8 | sing | 0.97Å | 1.00Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.08Å | 1.08Å | |
| C7 | H12 | sing | 1.08Å | 1.08Å | |
| C6 | H13 | sing | 1.08Å | 1.08Å | |
| N1 | H14 | sing | 0.97Å | 1.00Å | |
| N3 | H15 | sing | 0.97Å | 1.00Å | |
| N2 | H16 | sing | 0.97Å | 1.00Å | |
| N2 | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C8 | N2 | 117.1° | 120.0° |
| N3 | C8 | N1 | 123.5° | 120.0° |
| C8 | N3 | H15 | 112.0° | 120.0° |
| N2 | C8 | N1 | 119.3° | 120.1° |
| C8 | N2 | H16 | 120.0° | 119.9° |
| C8 | N2 | H17 | 120.0° | 120.0° |
| C8 | N1 | C5 | 129.3° | 120.0° |
| C8 | N1 | H14 | 115.3° | 120.0° |
| C3 | C4 | C5 | 121.2° | 120.1° |
| C4 | C3 | C2 | 120.4° | 119.9° |
| C3 | C4 | H1 | 119.4° | 119.9° |
| C4 | C3 | H2 | 119.8° | 120.1° |
| C4 | C5 | N1 | 122.8° | 119.9° |
| C4 | C5 | C6 | 118.5° | 120.2° |
| C5 | C4 | H1 | 119.4° | 119.9° |
| C3 | C2 | C1 | 119.8° | 120.1° |
| C3 | C2 | C7 | 119.3° | 119.8° |
| C2 | C3 | H2 | 119.8° | 120.0° |
| N1 | C5 | C6 | 118.5° | 119.9° |
| C5 | N1 | H14 | 115.3° | 120.0° |
| C5 | C6 | C7 | 120.3° | 120.1° |
| C5 | C6 | H13 | 119.9° | 120.0° |
| O1 | C1 | C2 | 119.6° | 120.1° |
| O1 | C1 | O2 | 129.4° | 120.0° |
| C1 | C2 | C7 | 120.9° | 120.1° |
| C2 | C1 | O2 | 111.1° | 120.0° |
| C2 | C7 | C6 | 120.3° | 119.9° |
| C2 | C7 | H12 | 119.8° | 120.0° |
| C1 | O2 | C9 | 122.4° | 117.0° |
| C17 | C18 | C13 | 120.9° | 120.0° |
| C18 | C17 | C16 | 122.6° | 120.8° |
| C17 | C18 | H4 | 119.6° | 120.0° |
| C18 | C17 | H5 | 118.7° | 119.6° |
| C18 | C13 | C14 | 116.1° | 120.9° |
| C18 | C13 | C12 | 120.4° | 119.7° |
| C13 | C18 | H4 | 119.5° | 120.0° |
| C6 | C7 | H12 | 119.8° | 120.0° |
| C7 | C6 | H13 | 119.9° | 119.9° |
| C13 | C14 | C9 | 121.0° | 119.6° |
| C14 | C13 | C12 | 123.5° | 119.4° |
| C13 | C14 | H3 | 119.5° | 120.2° |
| C14 | C9 | O2 | 116.6° | 119.6° |
| C14 | C9 | C10 | 118.2° | 120.7° |
| C9 | C14 | H3 | 119.5° | 120.2° |
| C17 | C16 | C19 | 114.4° | 119.7° |
| C17 | C16 | C15 | 116.8° | 120.5° |
| C16 | C17 | H5 | 118.7° | 119.6° |
| O2 | C9 | C10 | 125.3° | 119.6° |
| C13 | C12 | C15 | 118.9° | 119.5° |
| C13 | C12 | C11 | 116.2° | 119.6° |
| N5 | C19 | C16 | 118.8° | 120.0° |
| N5 | C19 | N4 | 118.0° | 120.0° |
| C19 | N5 | H6 | 112.0° | 120.0° |
| C9 | C10 | C11 | 120.4° | 120.9° |
| C9 | C10 | H11 | 119.8° | 119.6° |
| C19 | C16 | C15 | 128.8° | 119.7° |
| C16 | C19 | N4 | 123.1° | 120.0° |
| C16 | C15 | C12 | 120.4° | 119.5° |
| C16 | C15 | H9 | 119.8° | 120.3° |
| C19 | N4 | H7 | 120.0° | 120.0° |
| C19 | N4 | H8 | 120.0° | 120.0° |
| C15 | C12 | C11 | 125.0° | 121.0° |
| C12 | C15 | H9 | 119.8° | 120.2° |
| C12 | C11 | C10 | 120.7° | 119.8° |
| C12 | C11 | H10 | 119.7° | 120.1° |
| C10 | C11 | H10 | 119.6° | 120.1° |
| C11 | C10 | H11 | 119.8° | 119.5° |
| H7 | N4 | H8 | 120.0° | 120.0° |
| H16 | N2 | H17 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C8 | N2 | N1 | 178.6° | 179.9° |
| N3 | C8 | N1 | C5 | 5.0° | 174.8° |
| N3 | C8 | N1 | H14 | 175.0° | 5.3° |
| N3 | C8 | N2 | H16 | 178.6° | 180.0° |
| N3 | C8 | N2 | H17 | 1.4° | 0.1° |
| N2 | C8 | N1 | C5 | 176.5° | 5.2° |
| N2 | C8 | N1 | H14 | 3.5° | 174.7° |
| N2 | C8 | N3 | H15 | 178.5° | 174.8° |
| C8 | N2 | H16 | H17 | 180.0° | 179.9° |
| C8 | N1 | C5 | C4 | 30.1° | 40.6° |
| C8 | N1 | C5 | H14 | 180.0° | 179.9° |
| C8 | N1 | C5 | C6 | 153.7° | 139.5° |
| N1 | C8 | N3 | H15 | 0.0° | 5.1° |
| N1 | C8 | N2 | H16 | 0.0° | 0.1° |
| N1 | C8 | N2 | H17 | 180.0° | 180.0° |
| C3 | C4 | C5 | H1 | 180.0° | 179.8° |
| C4 | C3 | C2 | H2 | 180.0° | 179.9° |
| C3 | C4 | C5 | N1 | 178.7° | 180.0° |
| C3 | C4 | C5 | C6 | 2.4° | 0.0° |
| C4 | C3 | C2 | C1 | 178.7° | 180.0° |
| C4 | C3 | C2 | C7 | 0.7° | 0.0° |
| C5 | C4 | C3 | C2 | 1.9° | 0.0° |
| C4 | C5 | N1 | C6 | 176.2° | 179.9° |
| C4 | C5 | C6 | C7 | 1.9° | 0.0° |
| C5 | C4 | C3 | H2 | 178.1° | 179.9° |
| C4 | C5 | C6 | H13 | 178.2° | 180.0° |
| C4 | C5 | N1 | H14 | 149.9° | 139.5° |
| C3 | C2 | C1 | O1 | 60.8° | 0.0° |
| C3 | C2 | C1 | C7 | 179.4° | 180.0° |
| C3 | C2 | C1 | O2 | 118.6° | 180.0° |
| C3 | C2 | C7 | C6 | 0.2° | 0.0° |
| C2 | C3 | C4 | H1 | 178.1° | 179.8° |
| C3 | C2 | C7 | H12 | 179.8° | 180.0° |
| N1 | C5 | C6 | C7 | 178.3° | 179.9° |
| N1 | C5 | C4 | H1 | 1.3° | 0.2° |
| N1 | C5 | C6 | H13 | 1.8° | 0.1° |
| C5 | C6 | C7 | C2 | 0.8° | 0.0° |
| C5 | C6 | C7 | H13 | 180.0° | 180.0° |
| C6 | C5 | C4 | H1 | 177.6° | 179.8° |
| C5 | C6 | C7 | H12 | 179.2° | 180.0° |
| C6 | C5 | N1 | H14 | 26.3° | 40.4° |
| O1 | C1 | C2 | O2 | 179.4° | 179.9° |
| O1 | C1 | C2 | C7 | 119.8° | 179.9° |
| O1 | C1 | O2 | C9 | 16.2° | 1.3° |
| C1 | C2 | C7 | C6 | 179.2° | 180.0° |
| C2 | C1 | O2 | C9 | 164.5° | 178.6° |
| C1 | C2 | C3 | H2 | 1.3° | 0.1° |
| C1 | C2 | C7 | H12 | 0.8° | 0.1° |
| C7 | C2 | C1 | O2 | 60.8° | 0.0° |
| C2 | C7 | C6 | H12 | 180.0° | 179.9° |
| C7 | C2 | C3 | H2 | 179.2° | 180.0° |
| C2 | C7 | C6 | H13 | 179.2° | 180.0° |
| C1 | O2 | C9 | C14 | 66.7° | 87.9° |
| C1 | O2 | C9 | C10 | 114.4° | 92.1° |
| C17 | C18 | C13 | H4 | 180.0° | 179.9° |
| C17 | C18 | C13 | C14 | 180.0° | 180.0° |
| C18 | C17 | C16 | H5 | 180.0° | 179.9° |
| C17 | C18 | C13 | C12 | 1.3° | 0.0° |
| C18 | C17 | C16 | C19 | 178.6° | 180.0° |
| C18 | C17 | C16 | C15 | 1.9° | 0.0° |
| C18 | C13 | C14 | C12 | 178.7° | 180.0° |
| C18 | C13 | C14 | C9 | 179.3° | 180.0° |
| C13 | C18 | C17 | C16 | 0.0° | 0.0° |
| C18 | C13 | C12 | C15 | 0.4° | 0.0° |
| C18 | C13 | C12 | C11 | 179.0° | 180.0° |
| C18 | C13 | C14 | H3 | 0.7° | 0.3° |
| C13 | C18 | C17 | H5 | 179.9° | 179.9° |
| C13 | C14 | C9 | H3 | 180.0° | 179.7° |
| C13 | C14 | C9 | O2 | 179.8° | 180.0° |
| C13 | C14 | C9 | C10 | 0.8° | 0.0° |
| C14 | C13 | C12 | C15 | 179.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.4° | 0.0° |
| C14 | C13 | C18 | H4 | 0.1° | 0.0° |
| C14 | C9 | O2 | C10 | 178.9° | 180.0° |
| C9 | C14 | C13 | C12 | 0.6° | 0.0° |
| C14 | C9 | C10 | C11 | 0.8° | 0.1° |
| C14 | C9 | C10 | H11 | 179.2° | 180.0° |
| C17 | C16 | C19 | N5 | 13.9° | 180.0° |
| C17 | C16 | C19 | C15 | 179.4° | 180.0° |
| C17 | C16 | C19 | N4 | 167.7° | 0.0° |
| C17 | C16 | C15 | C12 | 2.7° | 0.0° |
| C16 | C17 | C18 | H4 | 180.0° | 179.9° |
| C17 | C16 | C15 | H9 | 177.3° | 179.9° |
| O2 | C9 | C10 | C11 | 179.7° | 180.0° |
| O2 | C9 | C14 | H3 | 0.2° | 0.3° |
| O2 | C9 | C10 | H11 | 0.3° | 0.1° |
| C13 | C12 | C15 | C16 | 1.6° | 0.0° |
| C13 | C12 | C15 | C11 | 179.4° | 179.9° |
| C13 | C12 | C11 | C10 | 0.4° | 0.1° |
| C12 | C13 | C14 | H3 | 179.4° | 179.7° |
| C12 | C13 | C18 | H4 | 178.8° | 179.9° |
| C13 | C12 | C15 | H9 | 178.4° | 180.0° |
| C13 | C12 | C11 | H10 | 179.6° | 180.0° |
| N5 | C19 | C16 | N4 | 178.4° | 180.0° |
| N5 | C19 | C16 | C15 | 166.7° | 0.0° |
| N5 | C19 | N4 | H7 | 178.4° | 180.0° |
| N5 | C19 | N4 | H8 | 1.6° | 0.1° |
| C9 | C10 | C11 | C12 | 0.6° | 0.1° |
| C9 | C10 | C11 | H11 | 180.0° | 179.9° |
| C10 | C9 | C14 | H3 | 179.2° | 179.7° |
| C9 | C10 | C11 | H10 | 179.4° | 180.0° |
| C19 | C16 | C15 | C12 | 177.9° | 180.0° |
| C19 | C16 | C17 | H5 | 1.4° | 0.0° |
| C16 | C19 | N5 | H6 | 178.5° | 180.0° |
| C16 | C19 | N4 | H7 | 0.0° | 0.0° |
| C16 | C19 | N4 | H8 | 180.0° | 180.0° |
| C19 | C16 | C15 | H9 | 2.1° | 0.0° |
| C15 | C16 | C19 | N4 | 11.7° | 180.0° |
| C16 | C15 | C12 | H9 | 180.0° | 180.0° |
| C16 | C15 | C12 | C11 | 179.0° | 179.9° |
| C15 | C16 | C17 | H5 | 178.1° | 179.9° |
| N4 | C19 | N5 | H6 | 0.0° | 0.1° |
| C19 | N4 | H7 | H8 | 180.0° | 180.0° |
| C15 | C12 | C11 | C10 | 179.0° | 180.0° |
| C15 | C12 | C11 | H10 | 1.0° | 0.1° |
| C12 | C11 | C10 | H10 | 180.0° | 179.9° |
| C11 | C12 | C15 | H9 | 1.0° | 0.1° |
| C12 | C11 | C10 | H11 | 179.4° | 180.0° |
| H1 | C4 | C3 | H2 | 1.9° | 0.3° |
| H4 | C18 | C17 | H5 | 0.0° | 0.1° |
| H10 | C11 | C10 | H11 | 0.6° | 0.1° |
| H12 | C7 | C6 | H13 | 0.8° | 0.0° |
