2T4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.40Å | 1.37Å | Aromatic |
| C1 | O14 | sing | 1.36Å | 1.39Å | |
| C2 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.55Å | |
| C6 | C9 | sing | 1.50Å | 1.44Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C8 | C9 | doub | 1.35Å | 1.33Å | Aromatic |
| C8 | S10 | sing | 1.76Å | 1.67Å | Aromatic |
| C9 | N12 | sing | 1.35Å | 1.38Å | Aromatic |
| S10 | C11 | sing | 1.76Å | 1.72Å | Aromatic |
| C11 | N12 | doub | 1.29Å | 1.39Å | Aromatic |
| C11 | N13 | sing | 1.39Å | 1.47Å | |
| O14 | C15 | sing | 1.43Å | 1.41Å | |
| C15 | P16 | sing | 1.82Å | 1.82Å | |
| P16 | O17 | sing | 1.61Å | 1.50Å | |
| P16 | O18 | sing | 1.61Å | 1.50Å | |
| P16 | O19 | doub | 1.48Å | 1.50Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| N13 | HN13 | sing | 0.97Å | 1.00Å | |
| N13 | HN1A | sing | 0.97Å | 1.00Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| O17 | HO17 | sing | 0.97Å | 0.95Å | |
| O18 | HO18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 118.0° | 119.6° |
| C2 | C1 | O14 | 121.7° | 120.2° |
| C1 | C2 | C3 | 120.6° | 120.2° |
| C1 | C2 | H2 | 119.7° | 119.9° |
| C6 | C1 | O14 | 120.3° | 120.2° |
| C1 | C6 | C5 | 122.1° | 119.5° |
| C1 | C6 | C9 | 129.5° | 130.8° |
| C1 | O14 | C15 | 110.1° | 117.0° |
| C2 | C3 | C4 | 119.9° | 120.2° |
| C3 | C2 | H2 | 119.7° | 119.9° |
| C2 | C3 | H3 | 120.1° | 119.9° |
| C3 | C4 | C5 | 118.4° | 120.0° |
| C4 | C3 | H3 | 120.0° | 119.9° |
| C3 | C4 | H4 | 120.8° | 120.0° |
| C4 | C5 | C6 | 121.0° | 120.4° |
| C4 | C5 | C7 | 127.3° | 132.8° |
| C5 | C4 | H4 | 120.8° | 120.0° |
| C6 | C5 | C7 | 111.7° | 106.8° |
| C5 | C6 | C9 | 108.4° | 109.7° |
| C5 | C7 | C8 | 96.2° | 105.6° |
| C5 | C7 | H7 | 114.1° | 110.2° |
| C5 | C7 | H7A | 114.2° | 110.3° |
| C6 | C9 | C8 | 107.8° | 109.2° |
| C6 | C9 | N12 | 135.0° | 137.2° |
| C7 | C8 | C9 | 115.8° | 108.8° |
| C7 | C8 | S10 | 133.0° | 142.0° |
| C8 | C7 | H7 | 114.2° | 110.2° |
| C8 | C7 | H7A | 114.1° | 110.2° |
| C9 | C8 | S10 | 111.1° | 109.2° |
| C8 | C9 | N12 | 117.2° | 113.6° |
| C8 | S10 | C11 | 91.5° | 90.0° |
| C9 | N12 | C11 | 108.7° | 117.7° |
| S10 | C11 | N12 | 111.5° | 109.4° |
| S10 | C11 | N13 | 123.9° | 125.2° |
| N12 | C11 | N13 | 124.6° | 125.3° |
| C11 | N13 | HN13 | 109.5° | 120.1° |
| C11 | N13 | HN1A | 109.4° | 120.0° |
| O14 | C15 | P16 | 111.0° | 109.5° |
| O14 | C15 | H15 | 109.0° | 109.4° |
| O14 | C15 | H15A | 109.0° | 109.4° |
| C15 | P16 | O17 | 109.5° | 109.5° |
| C15 | P16 | O18 | 109.4° | 109.5° |
| C15 | P16 | O19 | 109.7° | 109.5° |
| P16 | C15 | H15 | 109.0° | 109.5° |
| P16 | C15 | H15A | 109.0° | 109.5° |
| O17 | P16 | O18 | 109.6° | 109.4° |
| O17 | P16 | O19 | 109.3° | 109.5° |
| P16 | O17 | HO17 | 109.5° | 114.0° |
| O18 | P16 | O19 | 109.3° | 109.5° |
| P16 | O18 | HO18 | 109.5° | 114.0° |
| H7 | C7 | H7A | 104.4° | 110.3° |
| HN13 | N13 | HN1A | 109.5° | 119.9° |
| H15 | C15 | H15A | 110.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O14 | 179.9° | 179.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C2 | C1 | C6 | C9 | 179.9° | 180.0° |
| C2 | C1 | O14 | C15 | 24.7° | 0.1° |
| C1 | C2 | C3 | H3 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.0° | 0.0° |
| C1 | C6 | C5 | C4 | 0.2° | 0.0° |
| C1 | C6 | C5 | C9 | 179.9° | 180.0° |
| C1 | C6 | C5 | C7 | 179.8° | 179.9° |
| C1 | C6 | C9 | C8 | 179.8° | 179.9° |
| C1 | C6 | C9 | N12 | 0.3° | 0.0° |
| C6 | C1 | O14 | C15 | 155.3° | 179.8° |
| C6 | C1 | C2 | H2 | 180.0° | 180.0° |
| O14 | C1 | C2 | C3 | 179.9° | 179.7° |
| O14 | C1 | C6 | C5 | 179.8° | 179.7° |
| O14 | C1 | C6 | C9 | 0.1° | 0.3° |
| C1 | O14 | C15 | P16 | 172.4° | 75.0° |
| O14 | C1 | C2 | H2 | 0.1° | 0.3° |
| C1 | O14 | C15 | H15 | 67.6° | 165.0° |
| C1 | O14 | C15 | H15A | 52.4° | 45.1° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | H4 | 179.9° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C3 | C4 | C5 | C7 | 179.8° | 179.9° |
| C4 | C3 | C2 | H2 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 180.0° | 179.9° |
| C4 | C5 | C6 | C9 | 179.8° | 180.0° |
| C4 | C5 | C7 | C8 | 179.9° | 179.9° |
| C5 | C4 | C3 | H3 | 179.9° | 180.0° |
| C4 | C5 | C7 | H7 | 59.8° | 61.1° |
| C4 | C5 | C7 | H7A | 60.1° | 60.9° |
| C6 | C5 | C7 | C8 | 0.2° | 0.0° |
| C5 | C6 | C9 | C8 | 0.1° | 0.1° |
| C5 | C6 | C9 | N12 | 179.8° | 180.0° |
| C6 | C5 | C4 | H4 | 179.8° | 180.0° |
| C6 | C5 | C7 | H7 | 120.2° | 119.0° |
| C6 | C5 | C7 | H7A | 119.8° | 119.0° |
| C7 | C5 | C6 | C9 | 0.2° | 0.1° |
| C5 | C7 | C8 | H7 | 120.0° | 119.0° |
| C5 | C7 | C8 | H7A | 120.0° | 119.1° |
| C5 | C7 | C8 | C9 | 0.1° | 0.0° |
| C5 | C7 | C8 | S10 | 179.8° | 180.0° |
| C7 | C5 | C4 | H4 | 0.2° | 0.1° |
| C5 | C7 | H7 | H7A | 125.3° | 122.0° |
| C6 | C9 | C8 | C7 | 0.0° | 0.0° |
| C6 | C9 | C8 | N12 | 179.9° | 180.0° |
| C6 | C9 | C8 | S10 | 180.0° | 180.0° |
| C6 | C9 | N12 | C11 | 179.9° | 179.9° |
| C7 | C8 | C9 | S10 | 179.9° | 180.0° |
| C7 | C8 | C9 | N12 | 179.9° | 180.0° |
| C7 | C8 | S10 | C11 | 179.9° | 180.0° |
| C8 | C7 | H7 | H7A | 125.3° | 121.8° |
| C9 | C8 | S10 | C11 | 0.1° | 0.0° |
| C8 | C9 | N12 | C11 | 0.0° | 0.1° |
| C9 | C8 | C7 | H7 | 120.1° | 119.0° |
| C9 | C8 | C7 | H7A | 119.9° | 119.1° |
| S10 | C8 | C9 | N12 | 0.0° | 0.0° |
| C8 | S10 | C11 | N12 | 0.1° | 0.1° |
| C8 | S10 | C11 | N13 | 179.8° | 179.9° |
| S10 | C8 | C7 | H7 | 59.8° | 61.0° |
| S10 | C8 | C7 | H7A | 60.2° | 60.9° |
| C9 | N12 | C11 | S10 | 0.0° | 0.1° |
| C9 | N12 | C11 | N13 | 179.9° | 179.9° |
| S10 | C11 | N12 | N13 | 179.9° | 179.8° |
| S10 | C11 | N13 | HN13 | 0.0° | 0.1° |
| S10 | C11 | N13 | HN1A | 120.0° | 180.0° |
| N12 | C11 | N13 | HN13 | 179.9° | 180.0° |
| N12 | C11 | N13 | HN1A | 60.1° | 0.2° |
| C11 | N13 | HN13 | HN1A | 120.0° | 179.8° |
| O14 | C15 | P16 | H15 | 120.0° | 120.0° |
| O14 | C15 | P16 | H15A | 120.0° | 120.0° |
| O14 | C15 | P16 | O17 | 148.6° | 60.0° |
| O14 | C15 | P16 | O18 | 91.3° | 180.0° |
| O14 | C15 | P16 | O19 | 28.6° | 60.0° |
| O14 | C15 | H15 | H15A | 119.4° | 119.9° |
| C15 | P16 | O17 | O18 | 120.0° | 120.0° |
| C15 | P16 | O17 | O19 | 120.2° | 120.0° |
| C15 | P16 | O18 | O19 | 120.1° | 120.0° |
| P16 | C15 | H15 | H15A | 119.4° | 120.0° |
| C15 | P16 | O17 | HO17 | 120.2° | 60.0° |
| C15 | P16 | O18 | HO18 | 120.1° | 180.0° |
| O17 | P16 | O18 | O19 | 119.8° | 120.0° |
| O17 | P16 | C15 | H15 | 28.6° | 60.0° |
| O17 | P16 | C15 | H15A | 91.4° | 180.0° |
| O17 | P16 | O18 | HO18 | 119.8° | 60.0° |
| O18 | P16 | C15 | H15 | 148.7° | 60.0° |
| O18 | P16 | C15 | H15A | 28.7° | 60.0° |
| O18 | P16 | O17 | HO17 | 119.8° | 60.1° |
| O19 | P16 | C15 | H15 | 91.4° | 180.0° |
| O19 | P16 | C15 | H15A | 148.6° | 60.0° |
| O19 | P16 | O17 | HO17 | 0.0° | 180.0° |
| O19 | P16 | O18 | HO18 | 0.0° | 60.0° |
| H2 | C2 | C3 | H3 | 0.0° | 0.1° |
| H3 | C3 | C4 | H4 | 0.1° | 0.0° |
