HRF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | doub | 1.38Å | 1.36Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.36Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.53Å | |
| C6 | N2 | sing | 1.47Å | 1.48Å | |
| C9 | C10 | sing | 1.38Å | 1.35Å | Aromatic |
| C7 | C12 | doub | 1.38Å | 1.34Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.35Å | Aromatic |
| C2 | N1 | doub | 1.31Å | 1.26Å | Aromatic |
| C2 | C1 | sing | 1.40Å | 1.34Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.35Å | Aromatic |
| N1 | C3 | sing | 1.33Å | 1.34Å | Aromatic |
| O2 | C13 | doub | 1.21Å | 1.30Å | |
| N2 | C1 | sing | 1.38Å | 1.28Å | |
| C1 | C5 | doub | 1.41Å | 1.35Å | Aromatic |
| C3 | C13 | sing | 1.48Å | 1.39Å | |
| C3 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C13 | O1 | sing | 1.35Å | 1.21Å | |
| C5 | C4 | sing | 1.40Å | 1.37Å | Aromatic |
| C5 | C14 | sing | 1.48Å | 1.36Å | |
| O3 | C14 | doub | 1.21Å | 1.22Å | |
| C14 | O4 | sing | 1.35Å | 1.38Å | |
| C10 | H08 | sing | 1.08Å | 1.08Å | |
| C2 | H01 | sing | 1.08Å | 1.08Å | |
| C4 | H02 | sing | 1.08Å | 1.08Å | |
| C6 | H04 | sing | 1.09Å | 1.10Å | |
| C6 | H05 | sing | 1.09Å | 1.10Å | |
| C8 | H06 | sing | 1.08Å | 1.08Å | |
| C9 | H07 | sing | 1.08Å | 1.08Å | |
| C11 | H09 | sing | 1.08Å | 1.08Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| N2 | H03 | sing | 0.97Å | 1.00Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O4 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C7 | 122.4° | 120.0° |
| C8 | C9 | C10 | 120.2° | 120.0° |
| C9 | C8 | H06 | 118.8° | 120.0° |
| C8 | C9 | H07 | 119.9° | 120.0° |
| C8 | C7 | C6 | 122.9° | 120.0° |
| C8 | C7 | C12 | 114.3° | 120.0° |
| C7 | C8 | H06 | 118.8° | 120.0° |
| C7 | C6 | N2 | 118.2° | 109.5° |
| C6 | C7 | C12 | 122.8° | 120.1° |
| C7 | C6 | H04 | 107.2° | 109.5° |
| C7 | C6 | H05 | 107.3° | 109.4° |
| C6 | N2 | C1 | 127.5° | 120.0° |
| N2 | C6 | H04 | 107.3° | 109.5° |
| N2 | C6 | H05 | 107.2° | 109.4° |
| C6 | N2 | H03 | 104.8° | 120.0° |
| C9 | C10 | C11 | 119.3° | 120.0° |
| C9 | C10 | H08 | 120.4° | 120.0° |
| C10 | C9 | H07 | 119.9° | 120.0° |
| C7 | C12 | C11 | 126.1° | 120.0° |
| C7 | C12 | H10 | 116.9° | 119.9° |
| C10 | C11 | C12 | 117.8° | 120.0° |
| C11 | C10 | H08 | 120.3° | 120.0° |
| C10 | C11 | H09 | 121.1° | 120.0° |
| N1 | C2 | C1 | 131.9° | 120.9° |
| C2 | N1 | C3 | 118.7° | 122.1° |
| N1 | C2 | H01 | 114.0° | 119.5° |
| C2 | C1 | N2 | 117.2° | 120.5° |
| C2 | C1 | C5 | 107.6° | 119.0° |
| C1 | C2 | H01 | 114.0° | 119.5° |
| C12 | C11 | H09 | 121.1° | 120.0° |
| C11 | C12 | H10 | 116.9° | 120.1° |
| N1 | C3 | C13 | 119.4° | 119.5° |
| N1 | C3 | C4 | 117.9° | 120.9° |
| O2 | C13 | C3 | 118.9° | 120.0° |
| O2 | C13 | O1 | 120.8° | 120.0° |
| N2 | C1 | C5 | 135.1° | 120.5° |
| C1 | N2 | H03 | 104.8° | 120.0° |
| C1 | C5 | C4 | 127.6° | 118.1° |
| C1 | C5 | C14 | 119.0° | 121.0° |
| C13 | C3 | C4 | 122.8° | 119.5° |
| C3 | C13 | O1 | 120.2° | 120.0° |
| C3 | C4 | C5 | 116.3° | 119.0° |
| C3 | C4 | H02 | 121.8° | 120.5° |
| C13 | O1 | H1 | 109.5° | 117.0° |
| C4 | C5 | C14 | 113.4° | 121.0° |
| C5 | C4 | H02 | 121.9° | 120.5° |
| C5 | C14 | O3 | 122.2° | 120.0° |
| C5 | C14 | O4 | 123.9° | 120.0° |
| O3 | C14 | O4 | 113.9° | 120.0° |
| C14 | O4 | H2 | 109.5° | 117.0° |
| H04 | C6 | H05 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C7 | H06 | 180.0° | 179.4° |
| C9 | C8 | C7 | C6 | 179.6° | 179.7° |
| C8 | C9 | C10 | H07 | 180.0° | 179.9° |
| C9 | C8 | C7 | C12 | 0.6° | 0.8° |
| C8 | C9 | C10 | C11 | 0.1° | 0.0° |
| C8 | C9 | C10 | H08 | 180.0° | 179.7° |
| C8 | C7 | C6 | C12 | 178.8° | 179.4° |
| C8 | C7 | C6 | N2 | 153.7° | 90.6° |
| C7 | C8 | C9 | C10 | 0.4° | 0.5° |
| C8 | C7 | C12 | C11 | 0.6° | 0.5° |
| C8 | C7 | C6 | H04 | 85.1° | 29.4° |
| C8 | C7 | C6 | H05 | 32.4° | 149.5° |
| C7 | C8 | C9 | H07 | 179.6° | 179.4° |
| C8 | C7 | C12 | H10 | 179.4° | 179.9° |
| C7 | C6 | N2 | H04 | 121.2° | 120.0° |
| C7 | C6 | N2 | H05 | 121.3° | 119.9° |
| C6 | C7 | C12 | C11 | 179.5° | 180.0° |
| C7 | C6 | N2 | C1 | 153.6° | 179.9° |
| C7 | C6 | H04 | H05 | 116.0° | 120.0° |
| C6 | C7 | C8 | H06 | 0.4° | 0.4° |
| C6 | C7 | C12 | H10 | 0.4° | 0.5° |
| C7 | C6 | N2 | H03 | 31.2° | 0.0° |
| N2 | C6 | C7 | C12 | 27.5° | 90.0° |
| C6 | N2 | C1 | C2 | 30.9° | 5.3° |
| C6 | N2 | C1 | H03 | 122.4° | 179.9° |
| C6 | N2 | C1 | C5 | 147.3° | 174.5° |
| N2 | C6 | H04 | H05 | 116.0° | 120.0° |
| C9 | C10 | C11 | H08 | 180.0° | 179.7° |
| C9 | C10 | C11 | C12 | 0.0° | 0.3° |
| C10 | C9 | C8 | H06 | 179.6° | 179.9° |
| C9 | C10 | C11 | H09 | 180.0° | 179.7° |
| C7 | C12 | C11 | C10 | 0.3° | 0.0° |
| C7 | C12 | C11 | H10 | 180.0° | 179.5° |
| C12 | C7 | C6 | H04 | 93.8° | 150.0° |
| C12 | C7 | C6 | H05 | 148.7° | 30.0° |
| C12 | C7 | C8 | H06 | 179.3° | 179.8° |
| C7 | C12 | C11 | H09 | 179.7° | 180.0° |
| C10 | C11 | C12 | H09 | 180.0° | 180.0° |
| C11 | C10 | C9 | H07 | 180.0° | 180.0° |
| C10 | C11 | C12 | H10 | 179.7° | 179.5° |
| N1 | C2 | C1 | H01 | 180.0° | 180.0° |
| N1 | C2 | C1 | N2 | 179.2° | 179.8° |
| N1 | C2 | C1 | C5 | 0.6° | 0.0° |
| C2 | N1 | C3 | C13 | 179.5° | 180.0° |
| C2 | N1 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | N1 | C3 | 0.2° | 0.0° |
| C2 | C1 | N2 | C5 | 178.2° | 179.8° |
| C2 | C1 | C5 | C4 | 0.6° | 0.0° |
| C2 | C1 | C5 | C14 | 179.6° | 180.0° |
| C2 | C1 | N2 | H03 | 153.3° | 174.8° |
| C12 | C11 | C10 | H08 | 180.0° | 180.0° |
| N1 | C3 | C13 | O2 | 10.2° | 180.0° |
| N1 | C3 | C13 | C4 | 179.4° | 180.0° |
| N1 | C3 | C13 | O1 | 168.1° | 0.0° |
| N1 | C3 | C4 | C5 | 0.1° | 0.0° |
| C3 | N1 | C2 | H01 | 179.8° | 179.9° |
| N1 | C3 | C4 | H02 | 179.9° | 180.0° |
| O2 | C13 | C3 | O1 | 178.4° | 180.0° |
| O2 | C13 | C3 | C4 | 170.4° | 0.0° |
| O2 | C13 | O1 | H1 | 0.0° | 0.0° |
| N2 | C1 | C5 | C4 | 178.9° | 179.8° |
| N2 | C1 | C5 | C14 | 1.3° | 0.2° |
| N2 | C1 | C2 | H01 | 0.8° | 0.2° |
| C1 | N2 | C6 | H04 | 85.1° | 60.0° |
| C1 | N2 | C6 | H05 | 32.3° | 60.0° |
| C1 | C5 | C4 | C3 | 0.3° | 0.0° |
| C1 | C5 | C4 | C14 | 179.8° | 180.0° |
| C1 | C5 | C14 | O3 | 3.2° | 5.8° |
| C1 | C5 | C14 | O4 | 176.4° | 174.2° |
| C5 | C1 | C2 | H01 | 179.4° | 179.9° |
| C1 | C5 | C4 | H02 | 179.7° | 180.0° |
| C5 | C1 | N2 | H03 | 24.9° | 5.3° |
| C13 | C3 | C4 | C5 | 179.5° | 180.0° |
| C13 | C3 | C4 | H02 | 0.5° | 0.0° |
| C3 | C13 | O1 | H1 | 178.3° | 180.0° |
| C4 | C3 | C13 | O1 | 11.2° | 180.0° |
| C3 | C4 | C5 | H02 | 180.0° | 180.0° |
| C3 | C4 | C5 | C14 | 179.9° | 180.0° |
| C4 | C5 | C14 | O3 | 176.6° | 174.2° |
| C4 | C5 | C14 | O4 | 3.8° | 5.8° |
| C5 | C14 | O3 | O4 | 179.7° | 180.0° |
| C14 | C5 | C4 | H02 | 0.1° | 0.0° |
| C5 | C14 | O4 | H2 | 179.7° | 180.0° |
| O3 | C14 | O4 | H2 | 0.0° | 0.0° |
| H08 | C10 | C9 | H07 | 0.0° | 0.3° |
| H08 | C10 | C11 | H09 | 0.0° | 0.0° |
| H04 | C6 | N2 | H03 | 152.5° | 120.1° |
| H05 | C6 | N2 | H03 | 90.1° | 119.9° |
| H06 | C8 | C9 | H07 | 0.4° | 0.0° |
| H09 | C11 | C12 | H10 | 0.3° | 0.5° |
