G4U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.56Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.51Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.51Å | |
| S2 | C1 | doub | 1.60Å | 1.58Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H8 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H12 | sing | 1.09Å | 1.10Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C8 | H15 | sing | 1.09Å | 1.10Å | |
| C9 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C14 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C13 | C12 | C11 | 111.6° | 109.5° |
| C12 | C13 | C14 | 111.3° | 109.5° |
| C13 | C12 | H22 | 109.0° | 109.4° |
| C13 | C12 | H23 | 108.9° | 109.5° |
| C12 | C13 | H24 | 109.0° | 109.4° |
| C12 | C13 | H25 | 109.0° | 109.5° |
| C12 | C11 | C10 | 116.8° | 109.5° |
| C12 | C11 | H20 | 107.6° | 109.4° |
| C12 | C11 | H21 | 107.6° | 109.4° |
| C11 | C12 | H22 | 108.9° | 109.5° |
| C11 | C12 | H23 | 108.9° | 109.5° |
| C14 | C13 | H24 | 109.0° | 109.5° |
| C14 | C13 | H25 | 109.0° | 109.5° |
| C13 | C14 | H26 | 109.5° | 109.5° |
| C13 | C14 | H27 | 109.5° | 109.4° |
| C13 | C14 | H28 | 109.5° | 109.4° |
| C11 | C10 | C9 | 115.1° | 109.5° |
| C11 | C10 | H18 | 108.1° | 109.5° |
| C11 | C10 | H19 | 108.1° | 109.4° |
| C10 | C11 | H20 | 107.6° | 109.5° |
| C10 | C11 | H21 | 107.6° | 109.5° |
| C10 | C9 | C8 | 113.9° | 109.5° |
| C10 | C9 | H16 | 108.3° | 109.5° |
| C10 | C9 | H17 | 108.3° | 109.5° |
| C9 | C10 | H18 | 108.0° | 109.5° |
| C9 | C10 | H19 | 108.0° | 109.5° |
| C9 | C8 | C7 | 111.1° | 109.5° |
| C9 | C8 | H14 | 109.0° | 109.5° |
| C9 | C8 | H15 | 109.1° | 109.5° |
| C8 | C9 | H16 | 108.4° | 109.4° |
| C8 | C9 | H17 | 108.4° | 109.5° |
| C8 | C7 | C6 | 113.0° | 109.5° |
| C8 | C7 | H12 | 108.6° | 109.5° |
| C8 | C7 | H13 | 108.6° | 109.5° |
| C7 | C8 | H14 | 109.1° | 109.4° |
| C7 | C8 | H15 | 109.0° | 109.5° |
| C7 | C6 | C5 | 110.1° | 109.5° |
| C7 | C6 | H10 | 109.3° | 109.5° |
| C7 | C6 | H11 | 109.3° | 109.5° |
| C6 | C7 | H12 | 108.6° | 109.5° |
| C6 | C7 | H13 | 108.6° | 109.4° |
| S2 | C1 | C2 | 122.6° | 120.0° |
| S2 | C1 | H1 | 118.7° | 120.0° |
| C4 | C3 | C2 | 112.6° | 109.4° |
| C3 | C4 | C5 | 110.9° | 109.4° |
| C4 | C3 | H4 | 108.7° | 109.5° |
| C4 | C3 | H5 | 108.7° | 109.4° |
| C3 | C4 | H6 | 109.1° | 109.5° |
| C3 | C4 | H7 | 109.1° | 109.5° |
| C3 | C2 | C1 | 107.1° | 109.4° |
| C3 | C2 | H2 | 110.1° | 109.4° |
| C3 | C2 | H3 | 110.1° | 109.5° |
| C2 | C3 | H4 | 108.7° | 109.5° |
| C2 | C3 | H5 | 108.7° | 109.5° |
| C6 | C5 | C4 | 111.4° | 109.5° |
| C6 | C5 | H8 | 109.0° | 109.4° |
| C6 | C5 | H9 | 109.0° | 109.4° |
| C5 | C6 | H10 | 109.3° | 109.4° |
| C5 | C6 | H11 | 109.3° | 109.4° |
| C5 | C4 | H6 | 109.1° | 109.4° |
| C5 | C4 | H7 | 109.1° | 109.5° |
| C4 | C5 | H8 | 109.0° | 109.5° |
| C4 | C5 | H9 | 109.0° | 109.5° |
| C2 | C1 | H1 | 118.7° | 120.0° |
| C1 | C2 | H2 | 110.1° | 109.5° |
| C1 | C2 | H3 | 110.1° | 109.5° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H8 | C5 | H9 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.5° |
| H12 | C7 | H13 | 109.5° | 109.4° |
| H14 | C8 | H15 | 109.5° | 109.4° |
| H16 | C9 | H17 | 109.5° | 109.4° |
| H18 | C10 | H19 | 109.4° | 109.4° |
| H20 | C11 | H21 | 109.5° | 109.5° |
| H22 | C12 | H23 | 109.5° | 109.4° |
| H24 | C13 | H25 | 109.5° | 109.4° |
| H26 | C14 | H27 | 109.5° | 109.5° |
| H26 | C14 | H28 | 109.5° | 109.5° |
| H27 | C14 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C13 | C12 | C11 | H22 | 120.3° | 120.0° |
| C13 | C12 | C11 | H23 | 120.3° | 120.1° |
| C12 | C13 | C14 | H24 | 120.3° | 119.9° |
| C12 | C13 | C14 | H25 | 120.3° | 120.0° |
| C13 | C12 | C11 | C10 | 109.1° | 180.0° |
| C13 | C12 | C11 | H20 | 11.9° | 60.0° |
| C13 | C12 | C11 | H21 | 129.8° | 59.9° |
| C13 | C12 | H22 | H23 | 119.0° | 119.9° |
| C12 | C13 | H24 | H25 | 119.2° | 119.9° |
| C12 | C13 | C14 | H26 | 180.0° | 60.0° |
| C12 | C13 | C14 | H27 | 60.0° | 60.0° |
| C12 | C13 | C14 | H28 | 60.0° | 180.0° |
| C11 | C12 | C13 | C14 | 54.0° | 180.0° |
| C12 | C11 | C10 | H20 | 121.1° | 120.0° |
| C12 | C11 | C10 | H21 | 121.1° | 120.0° |
| C12 | C11 | C10 | C9 | 141.3° | 180.0° |
| C12 | C11 | C10 | H18 | 97.9° | 60.0° |
| C12 | C11 | C10 | H19 | 20.5° | 60.0° |
| C12 | C11 | H20 | H21 | 116.7° | 119.9° |
| C11 | C12 | H22 | H23 | 119.0° | 120.0° |
| C11 | C12 | C13 | H24 | 174.2° | 60.0° |
| C11 | C12 | C13 | H25 | 66.3° | 59.9° |
| C14 | C13 | C12 | H22 | 174.3° | 60.0° |
| C14 | C13 | C12 | H23 | 66.4° | 59.9° |
| C14 | C13 | H24 | H25 | 119.2° | 120.1° |
| C13 | C14 | H26 | H27 | 120.0° | 120.0° |
| C13 | C14 | H26 | H28 | 120.0° | 120.0° |
| C13 | C14 | H27 | H28 | 120.0° | 120.0° |
| C11 | C10 | C9 | H18 | 120.8° | 120.0° |
| C11 | C10 | C9 | H19 | 120.9° | 120.0° |
| C11 | C10 | C9 | C8 | 55.8° | 180.0° |
| C11 | C10 | C9 | H16 | 176.4° | 60.0° |
| C11 | C10 | C9 | H17 | 64.9° | 60.0° |
| C11 | C10 | H18 | H19 | 117.5° | 119.9° |
| C10 | C11 | H20 | H21 | 116.7° | 120.0° |
| C10 | C11 | C12 | H22 | 130.5° | 60.0° |
| C10 | C11 | C12 | H23 | 11.2° | 60.0° |
| C10 | C9 | C8 | H16 | 120.6° | 120.0° |
| C10 | C9 | C8 | H17 | 120.6° | 120.1° |
| C10 | C9 | C8 | C7 | 97.5° | 180.0° |
| C10 | C9 | C8 | H14 | 22.8° | 60.0° |
| C10 | C9 | C8 | H15 | 142.3° | 60.0° |
| C10 | C9 | H16 | H17 | 117.9° | 120.0° |
| C9 | C10 | H18 | H19 | 117.4° | 120.0° |
| C9 | C10 | C11 | H20 | 20.3° | 60.0° |
| C9 | C10 | C11 | H21 | 97.6° | 60.0° |
| C9 | C8 | C7 | H14 | 120.2° | 120.0° |
| C9 | C8 | C7 | H15 | 120.2° | 120.1° |
| C9 | C8 | C7 | C6 | 117.6° | 180.0° |
| C9 | C8 | C7 | H12 | 2.9° | 60.0° |
| C9 | C8 | C7 | H13 | 121.9° | 59.9° |
| C9 | C8 | H14 | H15 | 119.3° | 120.0° |
| C8 | C9 | H16 | H17 | 118.0° | 120.0° |
| C8 | C9 | C10 | H18 | 65.1° | 60.0° |
| C8 | C9 | C10 | H19 | 176.6° | 60.0° |
| C8 | C7 | C6 | H12 | 120.5° | 120.0° |
| C8 | C7 | C6 | H13 | 120.6° | 120.0° |
| C8 | C7 | C6 | C5 | 157.2° | 180.0° |
| C8 | C7 | C6 | H10 | 37.1° | 60.0° |
| C8 | C7 | C6 | H11 | 82.7° | 60.0° |
| C8 | C7 | H12 | H13 | 118.4° | 120.0° |
| C7 | C8 | H14 | H15 | 119.3° | 119.9° |
| C7 | C8 | C9 | H16 | 141.9° | 60.0° |
| C7 | C8 | C9 | H17 | 23.2° | 59.9° |
| C7 | C6 | C5 | H10 | 120.1° | 120.0° |
| C7 | C6 | C5 | H11 | 120.1° | 120.0° |
| C7 | C6 | C5 | C4 | 105.6° | 180.0° |
| C7 | C6 | C5 | H8 | 134.1° | 60.0° |
| C7 | C6 | C5 | H9 | 14.7° | 60.0° |
| C7 | C6 | H10 | H11 | 119.7° | 120.0° |
| C6 | C7 | H12 | H13 | 118.4° | 119.9° |
| C6 | C7 | C8 | H14 | 122.2° | 60.0° |
| C6 | C7 | C8 | H15 | 2.6° | 60.0° |
| S2 | C1 | C2 | C3 | 97.8° | 125.3° |
| S2 | C1 | C2 | H1 | 180.0° | 179.7° |
| S2 | C1 | C2 | H2 | 21.8° | 114.8° |
| S2 | C1 | C2 | H3 | 142.6° | 5.3° |
| C4 | C3 | C2 | H4 | 120.5° | 120.0° |
| C4 | C3 | C2 | H5 | 120.5° | 120.0° |
| C3 | C4 | C5 | C6 | 157.6° | 180.0° |
| C3 | C4 | C5 | H6 | 120.2° | 120.0° |
| C3 | C4 | C5 | H7 | 120.2° | 120.0° |
| C4 | C3 | C2 | C1 | 167.0° | 180.0° |
| C4 | C3 | C2 | H2 | 73.4° | 60.0° |
| C4 | C3 | C2 | H3 | 47.4° | 60.0° |
| C4 | C3 | H4 | H5 | 118.6° | 120.0° |
| C3 | C4 | H6 | H7 | 119.4° | 120.1° |
| C3 | C4 | C5 | H8 | 82.1° | 60.0° |
| C3 | C4 | C5 | H9 | 37.4° | 60.0° |
| C2 | C3 | C4 | C5 | 141.8° | 180.0° |
| C3 | C2 | C1 | H2 | 119.6° | 119.9° |
| C3 | C2 | C1 | H3 | 119.6° | 120.0° |
| C3 | C2 | C1 | H1 | 82.2° | 55.0° |
| C3 | C2 | H2 | H3 | 121.1° | 120.0° |
| C2 | C3 | H4 | H5 | 118.5° | 120.1° |
| C2 | C3 | C4 | H6 | 21.6° | 60.0° |
| C2 | C3 | C4 | H7 | 98.0° | 60.0° |
| C6 | C5 | C4 | H8 | 120.3° | 120.0° |
| C6 | C5 | C4 | H9 | 120.3° | 120.0° |
| C6 | C5 | C4 | H6 | 82.2° | 60.0° |
| C6 | C5 | C4 | H7 | 37.4° | 60.0° |
| C6 | C5 | H8 | H9 | 119.1° | 120.0° |
| C5 | C6 | H10 | H11 | 119.7° | 120.0° |
| C5 | C6 | C7 | H12 | 82.3° | 59.9° |
| C5 | C6 | C7 | H13 | 36.7° | 60.0° |
| C5 | C4 | C3 | H4 | 21.3° | 60.0° |
| C5 | C4 | C3 | H5 | 97.8° | 60.0° |
| C5 | C4 | H6 | H7 | 119.4° | 120.0° |
| C4 | C5 | H8 | H9 | 119.1° | 120.1° |
| C4 | C5 | C6 | H10 | 14.5° | 60.0° |
| C4 | C5 | C6 | H11 | 134.4° | 60.0° |
| C1 | C2 | H2 | H3 | 121.1° | 120.1° |
| C1 | C2 | C3 | H4 | 46.5° | 60.1° |
| C1 | C2 | C3 | H5 | 72.6° | 60.0° |
| H1 | C1 | C2 | H2 | 158.1° | 65.0° |
| H1 | C1 | C2 | H3 | 37.4° | 175.0° |
| H2 | C2 | C3 | H4 | 166.1° | 180.0° |
| H2 | C2 | C3 | H5 | 47.0° | 60.0° |
| H3 | C2 | C3 | H4 | 73.1° | 60.0° |
| H3 | C2 | C3 | H5 | 167.8° | 180.0° |
| H4 | C3 | C4 | H6 | 98.9° | 180.0° |
| H4 | C3 | C4 | H7 | 141.5° | 60.0° |
| H5 | C3 | C4 | H6 | 142.0° | 60.0° |
| H5 | C3 | C4 | H7 | 22.4° | 180.0° |
| H6 | C4 | C5 | H8 | 38.1° | 180.0° |
| H6 | C4 | C5 | H9 | 157.6° | 60.0° |
| H7 | C4 | C5 | H8 | 157.7° | 60.0° |
| H7 | C4 | C5 | H9 | 82.8° | 180.0° |
| H8 | C5 | C6 | H10 | 105.8° | NaN° |
| H8 | C5 | C6 | H11 | 14.0° | 60.0° |
| H9 | C5 | C6 | H10 | 134.8° | 60.0° |
| H9 | C5 | C6 | H11 | 105.4° | 180.0° |
| H10 | C6 | C7 | H12 | 157.6° | 179.9° |
| H10 | C6 | C7 | H13 | 83.4° | 60.0° |
| H11 | C6 | C7 | H12 | 37.8° | 60.0° |
| H11 | C6 | C7 | H13 | 156.8° | 179.9° |
| H12 | C7 | C8 | H14 | 117.3° | 180.0° |
| H12 | C7 | C8 | H15 | 123.1° | 60.1° |
| H13 | C7 | C8 | H14 | 1.6° | 60.0° |
| H13 | C7 | C8 | H15 | 117.9° | 180.0° |
| H14 | C8 | C9 | H16 | 97.9° | 179.9° |
| H14 | C8 | C9 | H17 | 143.4° | 60.0° |
| H15 | C8 | C9 | H16 | 21.7° | 60.1° |
| H15 | C8 | C9 | H17 | 97.0° | 180.0° |
| H16 | C9 | C10 | H18 | 55.6° | 180.0° |
| H16 | C9 | C10 | H19 | 62.7° | 60.0° |
| H17 | C9 | C10 | H18 | 174.3° | 60.0° |
| H17 | C9 | C10 | H19 | 56.0° | 180.0° |
| H18 | C10 | C11 | H20 | 141.1° | 179.9° |
| H18 | C10 | C11 | H21 | 23.2° | 60.0° |
| H19 | C10 | C11 | H20 | 100.6° | 60.0° |
| H19 | C10 | C11 | H21 | 141.5° | 180.0° |
| H20 | C11 | C12 | H22 | 108.4° | 180.0° |
| H20 | C11 | C12 | H23 | 132.2° | 60.0° |
| H21 | C11 | C12 | H22 | 9.5° | 60.0° |
| H21 | C11 | C12 | H23 | 109.9° | 180.0° |
| H22 | C12 | C13 | H24 | 65.4° | 180.0° |
| H22 | C12 | C13 | H25 | 54.0° | 60.1° |
| H23 | C12 | C13 | H24 | 53.9° | 60.1° |
| H23 | C12 | C13 | H25 | 173.4° | 180.0° |
| H24 | C13 | C14 | H26 | 59.7° | 180.0° |
| H24 | C13 | C14 | H27 | 179.7° | 59.9° |
| H24 | C13 | C14 | H28 | 60.3° | 60.0° |
| H25 | C13 | C14 | H26 | 59.7° | 60.0° |
| H25 | C13 | C14 | H27 | 60.3° | 180.0° |
| H25 | C13 | C14 | H28 | 179.7° | 60.0° |
| H26 | C14 | H27 | H28 | 120.0° | 120.1° |
