U4T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| S10 | C11 | sing | 1.75Å | 1.69Å | Aromatic |
| S10 | C06 | sing | 1.76Å | 1.70Å | Aromatic |
| O08 | C07 | doub | 1.22Å | 1.29Å | |
| C12 | C11 | sing | 1.48Å | 1.46Å | |
| C12 | C01 | doub | 1.40Å | 1.40Å | Aromatic |
| C11 | C04 | doub | 1.38Å | 1.42Å | Aromatic |
| C07 | C06 | sing | 1.46Å | 1.54Å | |
| C07 | O09 | sing | 1.35Å | 1.26Å | |
| C06 | C05 | doub | 1.37Å | 1.41Å | Aromatic |
| C16 | C01 | sing | 1.38Å | 1.40Å | Aromatic |
| C01 | C02 | sing | 1.50Å | 1.54Å | |
| C04 | C05 | sing | 1.37Å | 1.44Å | Aromatic |
| C04 | C03 | sing | 1.52Å | 1.53Å | |
| C03 | C02 | sing | 1.53Å | 1.49Å | |
| C13 | H1 | sing | 1.08Å | 1.08Å | |
| C15 | H2 | sing | 1.08Å | 1.08Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| O09 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C14 | C15 | 121.3° | 119.9° |
| C14 | C13 | C12 | 119.1° | 119.6° |
| C14 | C13 | H1 | 120.5° | 120.2° |
| C13 | C14 | H8 | 119.3° | 120.1° |
| C14 | C15 | C16 | 118.7° | 120.7° |
| C14 | C15 | H2 | 120.6° | 119.6° |
| C15 | C14 | H8 | 119.4° | 120.1° |
| C13 | C12 | C11 | 119.4° | 122.1° |
| C13 | C12 | C01 | 120.2° | 120.6° |
| C12 | C13 | H1 | 120.4° | 120.2° |
| C15 | C16 | C01 | 120.5° | 120.2° |
| C16 | C15 | H2 | 120.6° | 119.7° |
| C15 | C16 | H9 | 119.8° | 119.9° |
| C11 | S10 | C06 | 101.0° | 91.1° |
| S10 | C11 | C12 | 132.8° | 128.4° |
| S10 | C11 | C04 | 106.3° | 110.3° |
| S10 | C06 | C07 | 129.8° | 125.2° |
| S10 | C06 | C05 | 103.8° | 109.7° |
| O08 | C07 | C06 | 126.0° | 120.0° |
| O08 | C07 | O09 | 118.0° | 120.0° |
| C11 | C12 | C01 | 120.1° | 117.2° |
| C12 | C11 | C04 | 120.6° | 121.3° |
| C12 | C01 | C16 | 120.1° | 119.0° |
| C12 | C01 | C02 | 118.7° | 120.7° |
| C11 | C04 | C05 | 112.2° | 113.5° |
| C11 | C04 | C03 | 119.6° | 120.3° |
| C06 | C07 | O09 | 115.9° | 119.9° |
| C07 | C06 | C05 | 126.5° | 125.1° |
| C07 | O09 | H10 | 109.5° | 114.0° |
| C06 | C05 | C04 | 116.7° | 115.3° |
| C06 | C05 | H7 | 121.7° | 122.4° |
| C16 | C01 | C02 | 121.2° | 120.3° |
| C01 | C16 | H9 | 119.8° | 119.9° |
| C01 | C02 | C03 | 113.7° | 112.6° |
| C01 | C02 | H3 | 108.4° | 108.8° |
| C01 | C02 | H4 | 108.4° | 108.9° |
| C05 | C04 | C03 | 128.2° | 126.3° |
| C04 | C05 | H7 | 121.7° | 122.3° |
| C04 | C03 | C02 | 112.9° | 109.7° |
| C04 | C03 | H5 | 108.6° | 109.4° |
| C04 | C03 | H6 | 108.6° | 109.4° |
| C03 | C02 | H3 | 108.4° | 108.8° |
| C03 | C02 | H4 | 108.4° | 108.8° |
| C02 | C03 | H5 | 108.6° | 109.5° |
| C02 | C03 | H6 | 108.6° | 109.4° |
| H3 | C02 | H4 | 109.5° | 108.9° |
| H5 | C03 | H6 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C14 | C15 | H8 | 180.0° | 180.0° |
| C14 | C13 | C12 | H1 | 180.0° | 179.8° |
| C13 | C14 | C15 | C16 | 0.1° | 0.7° |
| C14 | C13 | C12 | C11 | 177.3° | 178.9° |
| C14 | C13 | C12 | C01 | 3.6° | 1.3° |
| C13 | C14 | C15 | H2 | 179.9° | 179.5° |
| C15 | C14 | C13 | C12 | 1.6° | 0.1° |
| C14 | C15 | C16 | H2 | 180.0° | 179.8° |
| C14 | C15 | C16 | C01 | 0.2° | 0.4° |
| C15 | C14 | C13 | H1 | 178.4° | 179.6° |
| C14 | C15 | C16 | H9 | 179.8° | 179.5° |
| C13 | C12 | C11 | S10 | 16.1° | 15.9° |
| C13 | C12 | C11 | C01 | 173.7° | 179.8° |
| C13 | C12 | C11 | C04 | 158.3° | 164.5° |
| C13 | C12 | C01 | C16 | 3.9° | 1.6° |
| C13 | C12 | C01 | C02 | 178.1° | 177.6° |
| C12 | C13 | C14 | H8 | 178.4° | 179.9° |
| C15 | C16 | C01 | C12 | 2.2° | 0.8° |
| C15 | C16 | C01 | H9 | 180.0° | 179.9° |
| C15 | C16 | C01 | C02 | 179.8° | 178.4° |
| C16 | C15 | C14 | H8 | 179.9° | 179.3° |
| S10 | C11 | C12 | C04 | 174.4° | 179.7° |
| S10 | C11 | C12 | C01 | 170.1° | 163.9° |
| C11 | S10 | C06 | C07 | 179.6° | 179.7° |
| C11 | S10 | C06 | C05 | 0.0° | 0.4° |
| S10 | C11 | C04 | C05 | 0.2° | 0.7° |
| S10 | C11 | C04 | C03 | 179.8° | 178.8° |
| S10 | C06 | C07 | O08 | 8.1° | 180.0° |
| C06 | S10 | C11 | C12 | 175.0° | 179.1° |
| C06 | S10 | C11 | C04 | 0.1° | 0.6° |
| S10 | C06 | C07 | C05 | 179.6° | 179.9° |
| S10 | C06 | C07 | O09 | 168.5° | 0.1° |
| S10 | C06 | C05 | C04 | 0.1° | 0.1° |
| S10 | C06 | C05 | H7 | 179.8° | 180.0° |
| O08 | C07 | C06 | O09 | 176.7° | 180.0° |
| O08 | C07 | C06 | C05 | 172.3° | 0.0° |
| O08 | C07 | O09 | H10 | 0.0° | 0.1° |
| C11 | C12 | C01 | C16 | 177.6° | 178.6° |
| C11 | C12 | C01 | C02 | 4.4° | 2.2° |
| C12 | C11 | C04 | C05 | 175.9° | 179.0° |
| C12 | C11 | C04 | C03 | 4.4° | 1.5° |
| C11 | C12 | C13 | H1 | 2.7° | 1.3° |
| C01 | C12 | C11 | C04 | 15.5° | 15.7° |
| C12 | C01 | C16 | C02 | 178.0° | 179.2° |
| C12 | C01 | C02 | C03 | 34.1° | 35.1° |
| C01 | C12 | C13 | H1 | 176.4° | 178.5° |
| C12 | C01 | C02 | H3 | 86.5° | 85.7° |
| C12 | C01 | C02 | H4 | 154.8° | 155.8° |
| C12 | C01 | C16 | H9 | 177.8° | 179.3° |
| C11 | C04 | C05 | C06 | 0.2° | 0.4° |
| C11 | C04 | C05 | C03 | 179.6° | 179.4° |
| C11 | C04 | C03 | C02 | 25.2° | 33.5° |
| C11 | C04 | C03 | H5 | 95.3° | 153.6° |
| C11 | C04 | C03 | H6 | 145.7° | 86.5° |
| C11 | C04 | C05 | H7 | 179.8° | 179.6° |
| C07 | C06 | C05 | C04 | 179.5° | 180.0° |
| C07 | C06 | C05 | H7 | 0.5° | 0.0° |
| C06 | C07 | O09 | H10 | 177.0° | 180.0° |
| O09 | C07 | C06 | C05 | 11.0° | 180.0° |
| C06 | C05 | C04 | H7 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 179.8° | 179.1° |
| C16 | C01 | C02 | C03 | 147.8° | 145.7° |
| C01 | C16 | C15 | H2 | 179.8° | 179.8° |
| C16 | C01 | C02 | H3 | 91.6° | 93.5° |
| C16 | C01 | C02 | H4 | 27.2° | 25.0° |
| C01 | C02 | C03 | C04 | 42.8° | 48.3° |
| C01 | C02 | C03 | H3 | 120.6° | 120.8° |
| C01 | C02 | C03 | H4 | 120.6° | 120.7° |
| C01 | C02 | H3 | H4 | 118.1° | 118.5° |
| C01 | C02 | C03 | H5 | 77.7° | 168.3° |
| C01 | C02 | C03 | H6 | 163.3° | 71.7° |
| C02 | C01 | C16 | H9 | 0.2° | 1.5° |
| C05 | C04 | C03 | C02 | 154.4° | 147.1° |
| C05 | C04 | C03 | H5 | 85.1° | 27.0° |
| C05 | C04 | C03 | H6 | 33.9° | 92.9° |
| C04 | C03 | C02 | H5 | 120.5° | 120.1° |
| C04 | C03 | C02 | H6 | 120.5° | 120.0° |
| C04 | C03 | C02 | H3 | 77.8° | 72.5° |
| C04 | C03 | C02 | H4 | 163.4° | 169.0° |
| C04 | C03 | H5 | H6 | 118.4° | 119.9° |
| C03 | C04 | C05 | H7 | 0.1° | 1.0° |
| C03 | C02 | H3 | H4 | 118.1° | 118.4° |
| C02 | C03 | H5 | H6 | 118.5° | 119.9° |
| H1 | C13 | C14 | H8 | 1.6° | 0.4° |
| H2 | C15 | C14 | H8 | 0.0° | 0.5° |
| H2 | C15 | C16 | H9 | 0.2° | 0.3° |
| H3 | C02 | C03 | H5 | 161.7° | 47.6° |
| H3 | C02 | C03 | H6 | 42.7° | 167.5° |
| H4 | C02 | C03 | H5 | 42.9° | 70.9° |
| H4 | C02 | C03 | H6 | 76.1° | 49.0° |
