USG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F24 | C23 | sing | 1.35Å | 1.35Å | |
| C23 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| C26 | C20 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | C02 | sing | 1.47Å | 1.54Å | |
| C02 | O01 | doub | 1.21Å | 1.19Å | |
| C02 | C03 | sing | 1.51Å | 1.53Å | |
| C03 | C04 | sing | 1.53Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C05 | N06 | sing | 1.47Å | 1.21Å | |
| O17 | C09 | sing | 1.43Å | 1.41Å | |
| N06 | C07 | sing | 1.47Å | 1.46Å | |
| N06 | C19 | sing | 1.47Å | 1.47Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C09 | C08 | sing | 1.53Å | 1.47Å | |
| C09 | C18 | sing | 1.53Å | 1.45Å | |
| C09 | C10 | sing | 1.53Å | 1.64Å | |
| C18 | H1 | sing | 1.09Å | 1.10Å | |
| C18 | H2 | sing | 1.09Å | 1.10Å | |
| C19 | H3 | sing | 1.09Å | 1.10Å | |
| C19 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | C2 | sing | 1.51Å | 1.07Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.08Å | 1.08Å | |
| C26 | H10 | sing | 1.08Å | 1.08Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.09Å | 1.10Å | |
| C05 | H15 | sing | 1.09Å | 1.10Å | |
| C05 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H18 | sing | 1.09Å | 1.10Å | |
| C07 | H19 | sing | 1.09Å | 1.10Å | |
| C08 | H20 | sing | 1.09Å | 1.10Å | |
| C08 | H21 | sing | 1.09Å | 1.10Å | |
| O17 | H22 | sing | 0.97Å | 0.95Å | |
| C22 | H23 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | sing | 1.38Å | 45.80Å | Aromatic |
| C3 | C1 | doub | 1.38Å | 0.00Å | Aromatic |
| C1 | C4 | sing | 1.38Å | 0.00Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 0.00Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 0.00Å | Aromatic |
| C6 | C2 | doub | 1.38Å | 45.80Å | Aromatic |
| C3 | H7 | sing | 1.08Å | 0.00Å | |
| C1 | H17 | sing | 1.08Å | 0.00Å | |
| C4 | F1 | sing | 1.35Å | 0.00Å | |
| C5 | H25 | sing | 1.08Å | 0.00Å | |
| C6 | H26 | sing | 1.08Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F24 | C23 | C22 | 118.1° | 119.8° |
| F24 | C23 | C25 | 120.5° | 119.9° |
| C22 | C23 | C25 | 121.4° | 120.3° |
| C23 | C22 | C21 | 118.6° | 120.1° |
| C23 | C22 | H23 | 120.7° | 120.0° |
| C23 | C25 | C26 | 119.8° | 120.2° |
| C23 | C25 | H9 | 120.1° | 119.9° |
| C22 | C21 | C20 | 120.7° | 119.9° |
| C22 | C21 | H5 | 119.6° | 120.0° |
| C21 | C22 | H23 | 120.7° | 119.9° |
| C25 | C26 | C20 | 119.2° | 119.9° |
| C26 | C25 | H9 | 120.1° | 119.9° |
| C25 | C26 | H10 | 120.4° | 120.1° |
| C21 | C20 | C26 | 120.4° | 119.7° |
| C21 | C20 | C02 | 117.5° | 120.1° |
| C20 | C21 | H5 | 119.7° | 120.1° |
| C26 | C20 | C02 | 122.1° | 120.2° |
| C20 | C26 | H10 | 120.4° | 120.0° |
| C20 | C02 | O01 | 118.5° | 120.0° |
| C20 | C02 | C03 | 121.9° | 120.0° |
| O01 | C02 | C03 | 119.6° | 120.0° |
| C02 | C03 | C04 | 113.3° | 109.5° |
| C02 | C03 | H11 | 108.5° | 109.4° |
| C02 | C03 | H12 | 108.5° | 109.5° |
| C03 | C04 | C05 | 116.7° | 109.5° |
| C04 | C03 | H11 | 108.5° | 109.5° |
| C04 | C03 | H12 | 108.5° | 109.5° |
| C03 | C04 | H13 | 107.6° | 109.5° |
| C03 | C04 | H14 | 107.7° | 109.5° |
| C04 | C05 | N06 | 110.1° | 109.5° |
| C05 | C04 | H13 | 107.7° | 109.4° |
| C05 | C04 | H14 | 107.6° | 109.5° |
| C04 | C05 | H15 | 109.3° | 109.5° |
| C04 | C05 | H16 | 109.3° | 109.5° |
| C05 | N06 | C07 | 112.4° | 111.0° |
| C05 | N06 | C19 | 111.7° | 111.0° |
| N06 | C05 | H15 | 109.3° | 109.5° |
| N06 | C05 | H16 | 109.3° | 109.5° |
| O17 | C09 | C08 | 109.0° | 109.5° |
| O17 | C09 | C18 | 107.4° | 109.5° |
| O17 | C09 | C10 | 109.8° | 109.6° |
| C09 | O17 | H22 | 109.5° | 113.9° |
| C07 | N06 | C19 | 118.8° | 111.2° |
| N06 | C07 | C08 | 113.7° | 109.6° |
| N06 | C07 | H18 | 108.4° | 109.4° |
| N06 | C07 | H19 | 108.4° | 109.5° |
| N06 | C19 | C18 | 119.1° | 109.6° |
| N06 | C19 | H3 | 107.0° | 109.5° |
| N06 | C19 | H4 | 107.0° | 109.4° |
| C07 | C08 | C09 | 110.0° | 109.3° |
| C08 | C07 | H18 | 108.4° | 109.5° |
| C08 | C07 | H19 | 108.4° | 109.5° |
| C07 | C08 | H20 | 109.4° | 109.5° |
| C07 | C08 | H21 | 109.4° | 109.5° |
| C19 | C18 | C09 | 114.6° | 109.4° |
| C19 | C18 | H1 | 108.2° | 109.5° |
| C19 | C18 | H2 | 108.2° | 109.6° |
| C18 | C19 | H3 | 107.0° | 109.4° |
| C18 | C19 | H4 | 107.0° | 109.4° |
| C08 | C09 | C18 | 110.9° | 109.1° |
| C08 | C09 | C10 | 108.7° | 109.5° |
| C09 | C08 | H20 | 109.3° | 109.5° |
| C09 | C08 | H21 | 109.3° | 109.5° |
| C18 | C09 | C10 | 111.0° | 109.6° |
| C09 | C18 | H1 | 108.2° | 109.4° |
| C09 | C18 | H2 | 108.2° | 109.5° |
| C09 | C10 | H6 | 109.3° | 109.5° |
| C09 | C10 | C2 | 110.2° | 109.5° |
| C09 | C10 | H8 | 109.3° | 109.5° |
| H1 | C18 | H2 | 109.4° | 109.5° |
| H3 | C19 | H4 | 109.5° | 109.5° |
| H6 | C10 | C2 | 109.3° | 109.4° |
| H6 | C10 | H8 | 109.5° | 109.5° |
| C2 | C10 | H8 | 109.3° | 109.5° |
| C10 | C2 | C3 | 88.0° | 120.0° |
| C10 | C2 | C6 | 88.0° | 120.0° |
| H11 | C03 | H12 | 109.5° | 109.5° |
| H13 | C04 | H14 | 109.5° | 109.5° |
| H15 | C05 | H16 | 109.4° | 109.4° |
| H18 | C07 | H19 | 109.5° | 109.4° |
| H20 | C08 | H21 | 109.5° | 109.5° |
| C2 | C3 | C1 | 90.0° | 120.0° |
| C3 | C2 | C6 | 0.0° | 120.0° |
| C2 | C3 | H7 | 90.0° | 120.0° |
| C3 | C1 | C4 | 90.0° | 120.0° |
| C1 | C3 | H7 | 90.0° | 120.0° |
| C3 | C1 | H17 | 90.0° | 120.0° |
| C1 | C4 | C5 | 90.0° | 120.0° |
| C4 | C1 | H17 | 90.0° | 120.0° |
| C1 | C4 | F1 | 90.0° | 120.0° |
| C4 | C5 | C6 | 90.0° | 120.0° |
| C5 | C4 | F1 | 90.0° | 120.0° |
| C4 | C5 | H25 | 90.0° | 120.0° |
| C5 | C6 | C2 | 90.0° | 120.0° |
| C6 | C5 | H25 | 90.0° | 120.0° |
| C5 | C6 | H26 | 90.0° | 120.1° |
| C2 | C6 | H26 | 90.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F24 | C23 | C22 | C25 | 180.0° | 179.7° |
| F24 | C23 | C22 | C21 | 179.7° | 180.0° |
| F24 | C23 | C25 | C26 | 179.8° | 179.9° |
| F24 | C23 | C25 | H9 | 0.3° | 0.3° |
| F24 | C23 | C22 | H23 | 0.3° | 0.2° |
| C23 | C22 | C21 | H23 | 180.0° | 179.8° |
| C22 | C23 | C25 | C26 | 0.3° | 0.2° |
| C23 | C22 | C21 | C20 | 0.2° | 0.0° |
| C23 | C22 | C21 | H5 | 179.8° | 180.0° |
| C22 | C23 | C25 | H9 | 179.7° | 180.0° |
| C25 | C23 | C22 | C21 | 0.3° | 0.2° |
| C23 | C25 | C26 | H9 | 180.0° | 179.8° |
| C23 | C25 | C26 | C20 | 0.2° | 0.1° |
| C23 | C25 | C26 | H10 | 179.8° | 180.0° |
| C25 | C23 | C22 | H23 | 179.7° | 180.0° |
| C22 | C21 | C20 | H5 | 180.0° | 180.0° |
| C22 | C21 | C20 | C26 | 0.1° | 0.2° |
| C22 | C21 | C20 | C02 | 179.4° | 180.0° |
| C25 | C26 | C20 | C21 | 0.1° | 0.3° |
| C25 | C26 | C20 | H10 | 180.0° | 179.9° |
| C25 | C26 | C20 | C02 | 179.3° | 179.9° |
| C21 | C20 | C26 | C02 | 179.2° | 179.8° |
| C21 | C20 | C02 | O01 | 12.3° | 0.1° |
| C21 | C20 | C02 | C03 | 165.9° | 180.0° |
| C21 | C20 | C26 | H10 | 179.9° | 179.8° |
| C20 | C21 | C22 | H23 | 179.8° | 179.8° |
| C26 | C20 | C02 | O01 | 168.5° | 179.7° |
| C26 | C20 | C02 | C03 | 13.3° | 0.2° |
| C26 | C20 | C21 | H5 | 179.9° | 179.7° |
| C20 | C26 | C25 | H9 | 179.8° | 179.7° |
| C20 | C02 | O01 | C03 | 178.3° | 179.9° |
| C20 | C02 | C03 | C04 | 171.6° | 180.0° |
| C02 | C20 | C21 | H5 | 0.6° | 0.1° |
| C02 | C20 | C26 | H10 | 0.7° | 0.0° |
| C20 | C02 | C03 | H11 | 51.0° | 60.0° |
| C20 | C02 | C03 | H12 | 67.9° | 59.9° |
| O01 | C02 | C03 | C04 | 10.2° | 0.1° |
| O01 | C02 | C03 | H11 | 130.8° | 120.1° |
| O01 | C02 | C03 | H12 | 110.3° | 120.0° |
| C02 | C03 | C04 | H11 | 120.6° | 119.9° |
| C02 | C03 | C04 | H12 | 120.5° | 120.0° |
| C02 | C03 | C04 | C05 | 116.0° | 180.0° |
| C02 | C03 | H11 | H12 | 118.3° | 120.0° |
| C02 | C03 | C04 | H13 | 5.0° | 60.1° |
| C02 | C03 | C04 | H14 | 123.0° | 60.0° |
| C03 | C04 | C05 | H13 | 121.0° | 120.0° |
| C03 | C04 | C05 | H14 | 121.0° | 120.0° |
| C03 | C04 | C05 | N06 | 164.5° | 180.0° |
| C04 | C03 | H11 | H12 | 118.3° | 120.1° |
| C03 | C04 | H13 | H14 | 116.8° | 120.1° |
| C03 | C04 | C05 | H15 | 44.4° | 60.0° |
| C03 | C04 | C05 | H16 | 75.4° | 60.0° |
| C04 | C05 | N06 | H15 | 120.1° | 120.0° |
| C04 | C05 | N06 | H16 | 120.1° | 120.0° |
| C04 | C05 | N06 | C07 | 96.5° | 170.0° |
| C04 | C05 | N06 | C19 | 127.0° | 65.8° |
| C05 | C04 | C03 | H11 | 123.4° | 60.0° |
| C05 | C04 | C03 | H12 | 4.6° | 60.0° |
| C05 | C04 | H13 | H14 | 116.7° | 120.0° |
| C04 | C05 | H15 | H16 | 119.7° | 120.0° |
| C05 | N06 | C07 | C19 | 133.1° | 124.1° |
| C05 | N06 | C07 | C08 | 156.9° | 174.1° |
| C05 | N06 | C19 | C18 | 139.6° | 174.2° |
| C05 | N06 | C19 | H3 | 99.0° | 65.8° |
| C05 | N06 | C19 | H4 | 18.3° | 54.1° |
| N06 | C05 | C04 | H13 | 74.5° | 60.0° |
| N06 | C05 | C04 | H14 | 43.5° | 60.0° |
| N06 | C05 | H15 | H16 | 119.7° | 120.0° |
| C05 | N06 | C07 | H18 | 36.3° | 65.8° |
| C05 | N06 | C07 | H19 | 82.4° | 54.1° |
| O17 | C09 | C08 | C07 | 52.6° | 62.2° |
| O17 | C09 | C18 | C19 | 72.0° | 62.2° |
| O17 | C09 | C08 | C18 | 118.0° | 119.8° |
| O17 | C09 | C08 | C10 | 119.7° | 120.2° |
| O17 | C09 | C18 | C10 | 120.0° | 120.2° |
| O17 | C09 | C18 | H1 | 167.3° | 177.8° |
| O17 | C09 | C18 | H2 | 48.8° | 57.8° |
| O17 | C09 | C10 | H6 | 60.1° | 179.8° |
| O17 | C09 | C10 | C2 | 60.0° | 59.9° |
| O17 | C09 | C10 | H8 | 179.9° | 60.2° |
| O17 | C09 | C08 | H20 | 67.5° | 57.7° |
| O17 | C09 | C08 | H21 | 172.7° | 177.8° |
| N06 | C07 | C08 | H18 | 120.6° | 120.0° |
| N06 | C07 | C08 | H19 | 120.6° | 120.0° |
| C07 | N06 | C19 | C18 | 6.2° | 61.7° |
| N06 | C07 | C08 | C09 | 53.2° | 59.2° |
| C07 | N06 | C19 | H3 | 127.5° | 58.3° |
| C07 | N06 | C19 | H4 | 115.2° | 178.3° |
| C07 | N06 | C05 | H15 | 143.4° | 70.0° |
| C07 | N06 | C05 | H16 | 23.6° | 50.0° |
| N06 | C07 | H18 | H19 | 118.0° | 119.9° |
| N06 | C07 | C08 | H20 | 173.3° | 179.1° |
| N06 | C07 | C08 | H21 | 66.9° | 60.8° |
| C19 | N06 | C07 | C08 | 23.8° | 61.7° |
| N06 | C19 | C18 | H3 | 121.4° | 120.0° |
| N06 | C19 | C18 | H4 | 121.4° | 120.0° |
| N06 | C19 | C18 | C09 | 17.6° | 59.2° |
| N06 | C19 | C18 | H1 | 103.1° | 60.7° |
| N06 | C19 | C18 | H2 | 138.4° | 179.2° |
| N06 | C19 | H3 | H4 | 115.7° | 120.0° |
| C19 | N06 | C05 | H15 | 6.9° | 54.2° |
| C19 | N06 | C05 | H16 | 112.9° | 174.2° |
| C19 | N06 | C07 | H18 | 96.9° | 58.3° |
| C19 | N06 | C07 | H19 | 144.4° | 178.2° |
| C07 | C08 | C09 | H20 | 120.1° | 120.0° |
| C07 | C08 | C09 | H21 | 120.1° | 120.0° |
| C07 | C08 | C09 | C18 | 65.4° | 57.6° |
| C07 | C08 | C09 | C10 | 172.3° | 177.6° |
| C08 | C07 | H18 | H19 | 118.1° | 120.0° |
| C07 | C08 | H20 | H21 | 119.8° | 120.1° |
| C19 | C18 | C09 | C08 | 47.1° | 57.6° |
| C19 | C18 | C09 | H1 | 120.8° | 119.9° |
| C19 | C18 | C09 | H2 | 120.8° | 120.1° |
| C19 | C18 | C09 | C10 | 168.0° | 177.5° |
| C19 | C18 | H1 | H2 | 117.7° | 120.1° |
| C18 | C19 | H3 | H4 | 115.6° | 119.9° |
| C08 | C09 | C18 | C10 | 120.9° | 120.0° |
| C08 | C09 | C18 | H1 | 73.7° | 62.4° |
| C08 | C09 | C18 | H2 | 167.9° | 177.6° |
| C08 | C09 | C10 | H6 | 59.1° | 60.0° |
| C08 | C09 | C10 | C2 | 179.2° | 180.0° |
| C08 | C09 | C10 | H8 | 60.7° | 60.0° |
| C09 | C08 | C07 | H18 | 67.5° | 60.8° |
| C09 | C08 | C07 | H19 | 173.8° | 179.2° |
| C09 | C08 | H20 | H21 | 119.7° | 120.1° |
| C08 | C09 | O17 | H22 | 180.0° | 180.0° |
| C09 | C18 | H1 | H2 | 117.6° | 120.0° |
| C09 | C18 | C19 | H3 | 139.0° | 60.9° |
| C09 | C18 | C19 | H4 | 103.7° | 179.2° |
| C18 | C09 | C10 | H6 | 178.6° | 59.6° |
| C18 | C09 | C10 | C2 | 58.5° | 60.3° |
| C18 | C09 | C10 | H8 | 61.6° | 179.7° |
| C18 | C09 | C08 | H20 | 174.4° | 177.5° |
| C18 | C09 | C08 | H21 | 54.6° | 62.4° |
| C18 | C09 | O17 | H22 | 59.8° | 60.5° |
| C10 | C09 | C18 | H1 | 47.3° | 57.6° |
| C10 | C09 | C18 | H2 | 71.2° | 62.4° |
| C09 | C10 | H6 | C2 | 120.7° | 120.0° |
| C09 | C10 | H6 | H8 | 119.7° | 120.0° |
| C09 | C10 | C2 | H8 | 120.1° | 120.0° |
| C10 | C09 | C08 | H20 | 52.2° | 62.5° |
| C10 | C09 | C08 | H21 | 67.6° | 57.6° |
| C10 | C09 | O17 | H22 | 61.0° | 59.8° |
| C09 | C10 | C2 | C3 | 67.6° | 90.0° |
| C09 | C10 | C2 | C6 | 67.6° | 90.2° |
| H1 | C18 | C19 | H3 | 18.2° | 179.2° |
| H1 | C18 | C19 | H4 | 135.5° | 59.3° |
| H2 | C18 | C19 | H3 | 100.3° | 59.2° |
| H2 | C18 | C19 | H4 | 17.0° | 60.8° |
| H5 | C21 | C22 | H23 | 0.2° | 0.2° |
| H6 | C10 | C2 | H8 | 119.8° | 120.0° |
| H6 | C10 | C2 | C3 | 52.5° | 150.0° |
| H6 | C10 | C2 | C6 | 52.5° | 29.8° |
| C10 | C2 | C3 | C6 | 90.0° | 179.7° |
| C10 | C2 | C3 | C1 | 90.0° | 180.0° |
| C10 | C2 | C6 | C5 | 90.0° | 179.7° |
| C10 | C2 | C3 | H7 | 90.0° | 0.0° |
| C10 | C2 | C6 | H26 | 90.0° | 0.2° |
| H8 | C10 | C2 | C3 | 172.2° | 30.0° |
| H8 | C10 | C2 | C6 | 172.2° | 149.7° |
| H9 | C25 | C26 | H10 | 0.2° | 0.2° |
| H11 | C03 | C04 | H13 | 115.5° | 180.0° |
| H11 | C03 | C04 | H14 | 2.4° | 60.0° |
| H12 | C03 | C04 | H13 | 125.6° | 60.0° |
| H12 | C03 | C04 | H14 | 116.5° | 180.0° |
| H13 | C04 | C05 | H15 | 165.4° | 180.0° |
| H13 | C04 | C05 | H16 | 45.7° | 60.0° |
| H14 | C04 | C05 | H15 | 76.6° | 60.0° |
| H14 | C04 | C05 | H16 | 163.6° | 180.0° |
| H18 | C07 | C08 | H20 | 52.6° | 59.1° |
| H18 | C07 | C08 | H21 | 172.4° | 179.2° |
| H19 | C07 | C08 | H20 | 66.1° | 60.8° |
| H19 | C07 | C08 | H21 | 53.7° | 59.3° |
| C2 | C3 | C1 | H7 | 90.0° | 179.9° |
| C2 | C3 | C1 | C4 | 90.0° | 0.0° |
| C3 | C2 | C6 | C5 | 90.0° | 0.5° |
| C2 | C3 | C1 | H17 | 90.0° | 180.0° |
| C3 | C2 | C6 | H26 | 90.0° | 180.0° |
| C3 | C1 | C4 | H17 | 90.0° | 180.0° |
| C3 | C1 | C4 | C5 | 90.0° | 0.0° |
| C1 | C3 | C2 | C6 | 90.0° | 0.3° |
| C3 | C1 | C4 | F1 | 90.0° | 180.0° |
| C1 | C4 | C5 | F1 | 90.0° | 180.0° |
| C1 | C4 | C5 | C6 | 90.0° | 0.3° |
| C4 | C1 | C3 | H7 | 90.0° | 180.0° |
| C1 | C4 | C5 | H25 | 90.0° | 179.9° |
| C4 | C5 | C6 | H25 | 90.0° | 179.7° |
| C4 | C5 | C6 | C2 | 90.0° | 0.5° |
| C5 | C4 | C1 | H17 | 90.0° | 180.0° |
| C4 | C5 | C6 | H26 | 90.0° | 180.0° |
| C5 | C6 | C2 | H26 | 90.0° | 179.5° |
| C6 | C5 | C4 | F1 | 90.0° | 179.7° |
| C6 | C2 | C3 | H7 | 90.0° | 179.8° |
| C2 | C6 | C5 | H25 | 90.0° | 179.8° |
| H7 | C3 | C1 | H17 | 90.0° | 0.0° |
| H17 | C1 | C4 | F1 | 90.0° | 0.0° |
| F1 | C4 | C5 | H25 | 90.0° | 0.0° |
| H25 | C5 | C6 | H26 | 90.0° | 0.3° |
