TV2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N5 | C17 | sing | 1.39Å | 1.36Å | |
| C17 | N3 | doub | 1.32Å | 1.36Å | Aromatic |
| C17 | N4 | sing | 1.33Å | 1.36Å | Aromatic |
| N3 | N1 | sing | 1.40Å | 1.39Å | Aromatic |
| N1 | C7 | sing | 1.37Å | 1.34Å | Aromatic |
| N1 | C8 | sing | 1.36Å | 1.35Å | Aromatic |
| C7 | N4 | doub | 1.32Å | 1.35Å | Aromatic |
| C7 | C5 | sing | 1.47Å | 1.39Å | Aromatic |
| C8 | N2 | doub | 1.30Å | 1.36Å | Aromatic |
| C8 | C9 | sing | 1.51Å | 1.51Å | |
| N2 | C4 | sing | 1.36Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C5 | doub | 1.41Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.37Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C1 | C6 | doub | 1.37Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.51Å | 1.51Å | |
| C10 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C10 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.37Å | Aromatic |
| C13 | O2 | sing | 1.37Å | 1.39Å | |
| C14 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | O1 | sing | 1.36Å | 1.35Å | |
| O2 | C16 | sing | 1.44Å | 1.44Å | |
| C16 | O1 | sing | 1.44Å | 1.44Å | |
| N5 | H5A | sing | 0.97Å | 1.00Å | |
| N5 | H5B | sing | 0.97Å | 1.00Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C3 | HA | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N5 | C17 | N3 | 122.1° | 125.3° |
| N5 | C17 | N4 | 120.8° | 125.3° |
| C17 | N5 | H5A | 109.5° | 120.0° |
| C17 | N5 | H5B | 109.5° | 120.0° |
| N3 | C17 | N4 | 117.1° | 109.4° |
| C17 | N3 | N1 | 98.4° | 107.1° |
| C17 | N4 | C7 | 102.8° | 109.6° |
| N3 | N1 | C7 | 112.9° | 106.0° |
| N3 | N1 | C8 | 125.9° | 133.7° |
| C7 | N1 | C8 | 121.2° | 120.3° |
| N1 | C7 | N4 | 108.7° | 107.9° |
| N1 | C7 | C5 | 122.3° | 117.6° |
| N1 | C8 | N2 | 119.6° | 123.1° |
| N1 | C8 | C9 | 121.5° | 118.5° |
| N4 | C7 | C5 | 129.0° | 134.5° |
| C7 | C5 | C4 | 116.1° | 117.8° |
| C7 | C5 | C6 | 123.0° | 122.3° |
| N2 | C8 | C9 | 118.9° | 118.5° |
| C8 | N2 | C4 | 120.3° | 122.1° |
| C8 | C9 | C10 | 109.3° | 109.5° |
| C8 | C9 | H91C | 109.5° | 109.5° |
| C8 | C9 | H92C | 109.5° | 109.5° |
| N2 | C4 | C3 | 120.6° | 121.7° |
| N2 | C4 | C5 | 120.5° | 119.2° |
| C3 | C4 | C5 | 118.9° | 119.2° |
| C4 | C3 | C2 | 120.5° | 119.7° |
| C4 | C3 | HA | 119.7° | 120.1° |
| C4 | C5 | C6 | 120.9° | 119.9° |
| C3 | C2 | C1 | 120.2° | 121.0° |
| C2 | C3 | HA | 119.8° | 120.1° |
| C3 | C2 | H2 | 119.9° | 119.5° |
| C2 | C1 | C6 | 119.9° | 120.7° |
| C1 | C2 | H2 | 119.9° | 119.5° |
| C2 | C1 | H1 | 120.1° | 119.7° |
| C1 | C6 | C5 | 119.6° | 119.6° |
| C6 | C1 | H1 | 120.1° | 119.7° |
| C1 | C6 | H6 | 120.2° | 120.2° |
| C5 | C6 | H6 | 120.2° | 120.2° |
| C9 | C10 | C11 | 120.3° | 119.9° |
| C9 | C10 | C15 | 118.1° | 120.0° |
| C10 | C9 | H91C | 109.5° | 109.4° |
| C10 | C9 | H92C | 109.5° | 109.4° |
| C11 | C10 | C15 | 121.6° | 120.1° |
| C10 | C11 | C12 | 120.5° | 120.1° |
| C10 | C11 | H11 | 119.7° | 119.9° |
| C10 | C15 | C14 | 116.1° | 120.1° |
| C10 | C15 | H15 | 121.9° | 120.0° |
| C11 | C12 | C13 | 116.8° | 120.1° |
| C12 | C11 | H11 | 119.8° | 120.0° |
| C11 | C12 | H12 | 121.6° | 119.9° |
| C12 | C13 | C14 | 121.5° | 119.9° |
| C12 | C13 | O2 | 129.4° | 131.5° |
| C13 | C12 | H12 | 121.6° | 120.0° |
| C14 | C13 | O2 | 109.0° | 108.6° |
| C13 | C14 | C15 | 123.5° | 119.8° |
| C13 | C14 | O1 | 109.4° | 108.7° |
| C13 | O2 | C16 | 108.2° | 105.5° |
| C15 | C14 | O1 | 127.1° | 131.5° |
| C14 | C15 | H15 | 122.0° | 120.0° |
| C14 | O1 | C16 | 109.5° | 105.5° |
| O2 | C16 | O1 | 103.8° | 103.7° |
| O2 | C16 | H161 | 110.9° | 110.6° |
| O2 | C16 | H162 | 110.9° | 110.6° |
| O1 | C16 | H161 | 110.9° | 110.6° |
| O1 | C16 | H162 | 110.9° | 110.6° |
| H5A | N5 | H5B | 109.5° | 120.1° |
| H91C | C9 | H92C | 109.4° | 109.5° |
| H161 | C16 | H162 | 109.5° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N5 | C17 | N3 | N4 | 178.9° | 179.7° |
| N5 | C17 | N3 | N1 | 178.0° | 180.0° |
| N5 | C17 | N4 | C7 | 178.2° | 179.8° |
| C17 | N5 | H5A | H5B | 120.0° | 179.7° |
| C17 | N3 | N1 | C7 | 0.7° | 0.0° |
| C17 | N3 | N1 | C8 | 178.9° | 180.0° |
| N3 | C17 | N4 | C7 | 0.6° | 0.4° |
| N3 | C17 | N5 | H5A | 0.0° | 0.0° |
| N3 | C17 | N5 | H5B | 120.0° | 179.7° |
| N4 | C17 | N3 | N1 | 0.8° | 0.3° |
| C17 | N4 | C7 | N1 | 0.1° | 0.4° |
| C17 | N4 | C7 | C5 | 179.7° | 179.9° |
| N4 | C17 | N5 | H5A | 178.8° | 179.7° |
| N4 | C17 | N5 | H5B | 58.8° | 0.6° |
| N3 | N1 | C7 | C8 | 179.6° | 180.0° |
| N3 | N1 | C7 | N4 | 0.4° | 0.3° |
| N3 | N1 | C7 | C5 | 179.2° | 180.0° |
| N3 | N1 | C8 | N2 | 179.4° | 180.0° |
| N3 | N1 | C8 | C9 | 0.6° | 0.0° |
| N1 | C7 | N4 | C5 | 179.5° | 179.7° |
| C7 | N1 | C8 | N2 | 1.0° | 0.0° |
| C7 | N1 | C8 | C9 | 179.9° | 180.0° |
| N1 | C7 | C5 | C4 | 1.2° | 0.0° |
| N1 | C7 | C5 | C6 | 180.0° | 180.0° |
| C8 | N1 | C7 | N4 | 179.3° | 179.7° |
| C8 | N1 | C7 | C5 | 1.2° | 0.0° |
| N1 | C8 | N2 | C9 | 178.8° | 179.9° |
| N1 | C8 | N2 | C4 | 1.0° | 0.0° |
| N1 | C8 | C9 | C10 | 102.0° | 180.0° |
| N1 | C8 | C9 | H91C | 138.0° | 60.0° |
| N1 | C8 | C9 | H92C | 17.9° | 60.1° |
| N4 | C7 | C5 | C4 | 179.4° | 179.7° |
| N4 | C7 | C5 | C6 | 0.5° | 0.3° |
| C7 | C5 | C4 | N2 | 1.1° | 0.0° |
| C7 | C5 | C4 | C3 | 179.7° | 180.0° |
| C7 | C5 | C4 | C6 | 178.9° | 180.0° |
| C7 | C5 | C6 | C1 | 179.0° | 180.0° |
| C7 | C5 | C6 | H6 | 1.1° | 0.1° |
| C8 | N2 | C4 | C3 | 179.7° | 180.0° |
| C8 | N2 | C4 | C5 | 1.1° | 0.0° |
| N2 | C8 | C9 | C10 | 76.8° | 0.1° |
| N2 | C8 | C9 | H91C | 43.2° | 119.9° |
| N2 | C8 | C9 | H92C | 163.2° | 120.0° |
| C9 | C8 | N2 | C4 | 179.9° | 180.0° |
| C8 | C9 | C10 | H91C | 120.0° | 120.0° |
| C8 | C9 | C10 | H92C | 120.0° | 120.0° |
| C8 | C9 | C10 | C11 | 118.1° | 90.0° |
| C8 | C9 | C10 | C15 | 61.1° | 90.2° |
| C8 | C9 | H91C | H92C | 120.0° | 120.0° |
| N2 | C4 | C3 | C5 | 178.6° | 180.0° |
| N2 | C4 | C3 | C2 | 179.8° | 180.0° |
| N2 | C4 | C5 | C6 | 180.0° | 180.0° |
| N2 | C4 | C3 | HA | 0.2° | 0.0° |
| C4 | C3 | C2 | HA | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 0.6° | 0.0° |
| C3 | C4 | C5 | C6 | 1.4° | 0.0° |
| C4 | C3 | C2 | H2 | 179.4° | 179.9° |
| C5 | C4 | C3 | C2 | 1.6° | 0.0° |
| C4 | C5 | C6 | C1 | 0.1° | 0.0° |
| C5 | C4 | C3 | HA | 178.4° | 180.0° |
| C4 | C5 | C6 | H6 | 179.9° | 179.9° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 0.7° | 0.0° |
| C3 | C2 | C1 | H1 | 179.3° | 179.9° |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.9° | 0.0° |
| C1 | C2 | C3 | HA | 179.4° | 180.0° |
| C2 | C1 | C6 | H6 | 179.1° | 179.9° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C6 | C1 | C2 | H2 | 179.3° | 179.9° |
| C5 | C6 | C1 | H1 | 179.1° | 179.9° |
| C9 | C10 | C11 | C15 | 179.2° | 179.7° |
| C9 | C10 | C11 | C12 | 178.9° | 180.0° |
| C9 | C10 | C15 | C14 | 180.0° | 179.7° |
| C10 | C9 | H91C | H92C | 120.1° | 119.9° |
| C9 | C10 | C11 | H11 | 1.2° | 0.0° |
| C9 | C10 | C15 | H15 | 0.0° | 0.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 1.4° | 0.0° |
| C11 | C10 | C15 | C14 | 0.8° | 0.6° |
| C11 | C10 | C9 | H91C | 1.9° | 30.0° |
| C11 | C10 | C9 | H92C | 121.9° | 150.0° |
| C11 | C10 | C15 | H15 | 179.2° | 179.7° |
| C10 | C11 | C12 | H12 | 178.6° | 180.0° |
| C15 | C10 | C11 | C12 | 1.9° | 0.3° |
| C10 | C15 | C14 | C13 | 0.9° | 0.6° |
| C10 | C15 | C14 | H15 | 180.0° | 179.7° |
| C10 | C15 | C14 | O1 | 179.6° | 179.8° |
| C15 | C10 | C9 | H91C | 178.9° | 149.7° |
| C15 | C10 | C9 | H92C | 58.9° | 29.7° |
| C15 | C10 | C11 | H11 | 178.1° | 179.7° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.3° | 0.0° |
| C11 | C12 | C13 | O2 | 179.2° | 180.0° |
| C12 | C13 | C14 | O2 | 179.2° | 180.0° |
| C12 | C13 | C14 | C15 | 1.4° | 0.3° |
| C12 | C13 | C14 | O1 | 179.6° | 180.0° |
| C12 | C13 | O2 | C16 | 179.3° | 162.7° |
| C13 | C12 | C11 | H11 | 178.6° | 180.0° |
| C13 | C14 | C15 | O1 | 178.8° | 179.7° |
| C14 | C13 | O2 | C16 | 0.2° | 17.3° |
| C13 | C14 | O1 | C16 | 0.5° | 17.3° |
| C13 | C14 | C15 | H15 | 179.1° | 179.7° |
| C14 | C13 | C12 | H12 | 179.8° | 180.0° |
| O2 | C13 | C14 | C15 | 179.4° | 179.8° |
| O2 | C13 | C14 | O1 | 0.4° | 0.0° |
| C13 | O2 | C16 | O1 | 0.1° | 27.1° |
| O2 | C13 | C12 | H12 | 0.8° | 0.0° |
| C13 | O2 | C16 | H161 | 119.0° | 145.7° |
| C13 | O2 | C16 | H162 | 119.2° | 91.4° |
| C15 | C14 | O1 | C16 | 179.4° | 162.4° |
| C14 | O1 | C16 | O2 | 0.4° | 27.1° |
| O1 | C14 | C15 | H15 | 0.4° | 0.1° |
| C14 | O1 | C16 | H161 | 118.7° | 145.7° |
| C14 | O1 | C16 | H162 | 119.5° | 91.4° |
| O2 | C16 | O1 | H161 | 119.1° | 118.5° |
| O2 | C16 | O1 | H162 | 119.1° | 118.5° |
| O2 | C16 | H161 | H162 | 122.6° | 122.9° |
| O1 | C16 | H161 | H162 | 122.7° | 122.9° |
| HA | C3 | C2 | H2 | 0.6° | 0.1° |
| H2 | C2 | C1 | H1 | 0.7° | 0.0° |
| H1 | C1 | C6 | H6 | 0.9° | 0.0° |
| H11 | C11 | C12 | H12 | 1.4° | 0.0° |
