UGW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C02 | C04 | sing | 1.53Å | 1.53Å | |
| C02 | C05 | sing | 1.51Å | 1.53Å | |
| C10 | C05 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.38Å | 1.37Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| C09 | C08 | doub | 1.39Å | 1.38Å | Aromatic |
| C06 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C07 | sing | 1.39Å | 1.39Å | Aromatic |
| C08 | O11 | sing | 1.36Å | 1.39Å | |
| C07 | C12 | sing | 1.51Å | 1.52Å | |
| C12 | C14 | sing | 1.53Å | 1.51Å | |
| C12 | C15 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C03 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.09Å | 1.10Å | |
| C04 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C06 | H17 | sing | 1.08Å | 1.08Å | |
| C09 | H18 | sing | 1.08Å | 1.08Å | |
| O11 | H19 | sing | 0.97Å | 0.95Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C02 | C01 | 109.6° | 109.5° |
| C03 | C02 | C04 | 110.1° | 109.5° |
| C03 | C02 | C05 | 107.7° | 109.5° |
| C02 | C03 | H11 | 109.5° | 109.5° |
| C02 | C03 | H12 | 109.4° | 109.5° |
| C02 | C03 | H13 | 109.5° | 109.5° |
| C01 | C02 | C04 | 109.3° | 109.5° |
| C01 | C02 | C05 | 108.1° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C02 | C01 | H10 | 109.4° | 109.5° |
| C04 | C02 | C05 | 112.0° | 109.5° |
| C02 | C04 | H14 | 109.5° | 109.5° |
| C02 | C04 | H15 | 109.5° | 109.5° |
| C02 | C04 | H16 | 109.5° | 109.5° |
| C02 | C05 | C10 | 117.4° | 119.9° |
| C02 | C05 | C06 | 121.5° | 119.9° |
| C05 | C10 | C09 | 120.1° | 120.0° |
| C10 | C05 | C06 | 121.1° | 120.2° |
| C05 | C10 | H1 | 120.0° | 120.0° |
| C10 | C09 | C08 | 118.6° | 119.9° |
| C09 | C10 | H1 | 120.0° | 120.0° |
| C10 | C09 | H18 | 120.7° | 120.0° |
| C05 | C06 | C07 | 118.7° | 120.0° |
| C05 | C06 | H17 | 120.7° | 120.0° |
| C09 | C08 | C07 | 122.3° | 119.9° |
| C09 | C08 | O11 | 118.3° | 120.0° |
| C08 | C09 | H18 | 120.7° | 120.1° |
| C06 | C07 | C08 | 119.2° | 120.0° |
| C06 | C07 | C12 | 120.8° | 120.0° |
| C07 | C06 | H17 | 120.6° | 120.0° |
| C07 | C08 | O11 | 119.5° | 120.1° |
| C08 | C07 | C12 | 119.9° | 120.0° |
| C08 | O11 | H19 | 109.5° | 114.0° |
| C07 | C12 | C14 | 110.7° | 109.5° |
| C07 | C12 | C15 | 106.7° | 109.4° |
| C07 | C12 | C13 | 112.0° | 109.5° |
| C14 | C12 | C15 | 110.9° | 109.5° |
| C14 | C12 | C13 | 106.4° | 109.5° |
| C12 | C14 | H20 | 109.5° | 109.4° |
| C12 | C14 | H21 | 109.5° | 109.5° |
| C12 | C14 | H22 | 109.4° | 109.5° |
| C15 | C12 | C13 | 110.1° | 109.5° |
| C12 | C15 | H5 | 109.5° | 109.5° |
| C12 | C15 | H6 | 109.5° | 109.5° |
| C12 | C15 | H7 | 109.5° | 109.5° |
| C12 | C13 | H2 | 109.5° | 109.5° |
| C12 | C13 | H3 | 109.5° | 109.5° |
| C12 | C13 | H4 | 109.5° | 109.5° |
| H2 | C13 | H3 | 109.5° | 109.5° |
| H2 | C13 | H4 | 109.4° | 109.5° |
| H3 | C13 | H4 | 109.5° | 109.5° |
| H5 | C15 | H6 | 109.5° | 109.5° |
| H5 | C15 | H7 | 109.5° | 109.5° |
| H6 | C15 | H7 | 109.5° | 109.4° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H8 | C01 | H10 | 109.5° | 109.5° |
| H9 | C01 | H10 | 109.5° | 109.5° |
| H11 | C03 | H12 | 109.5° | 109.5° |
| H11 | C03 | H13 | 109.4° | 109.4° |
| H12 | C03 | H13 | 109.5° | 109.5° |
| H14 | C04 | H15 | 109.5° | 109.5° |
| H14 | C04 | H16 | 109.5° | 109.5° |
| H15 | C04 | H16 | 109.5° | 109.4° |
| H20 | C14 | H21 | 109.4° | 109.5° |
| H20 | C14 | H22 | 109.5° | 109.4° |
| H21 | C14 | H22 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C02 | C01 | C04 | 120.7° | 120.0° |
| C03 | C02 | C01 | C05 | 117.1° | 120.0° |
| C03 | C02 | C04 | C05 | 119.8° | 120.0° |
| C03 | C02 | C05 | C10 | 15.5° | 120.0° |
| C03 | C02 | C05 | C06 | 165.9° | 60.0° |
| C03 | C02 | C01 | H8 | 180.0° | 60.0° |
| C03 | C02 | C01 | H9 | 60.0° | 60.0° |
| C03 | C02 | C01 | H10 | 60.0° | 180.0° |
| C02 | C03 | H11 | H12 | 120.0° | 120.0° |
| C02 | C03 | H11 | H13 | 120.0° | 120.0° |
| C02 | C03 | H12 | H13 | 120.0° | 120.0° |
| C03 | C02 | C04 | H14 | 180.0° | 180.0° |
| C03 | C02 | C04 | H15 | 60.0° | 60.0° |
| C03 | C02 | C04 | H16 | 60.0° | 60.0° |
| C01 | C02 | C04 | C05 | 119.8° | 120.0° |
| C01 | C02 | C05 | C10 | 102.8° | 0.0° |
| C01 | C02 | C05 | C06 | 75.8° | 179.9° |
| C02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H10 | 120.0° | 120.0° |
| C02 | C01 | H9 | H10 | 120.0° | 120.0° |
| C01 | C02 | C03 | H11 | 180.0° | 60.0° |
| C01 | C02 | C03 | H12 | 60.0° | 180.0° |
| C01 | C02 | C03 | H13 | 60.0° | 60.0° |
| C01 | C02 | C04 | H14 | 59.6° | 60.0° |
| C01 | C02 | C04 | H15 | 60.4° | 180.0° |
| C01 | C02 | C04 | H16 | 179.6° | 60.1° |
| C04 | C02 | C05 | C10 | 136.7° | 120.0° |
| C04 | C02 | C05 | C06 | 44.7° | 60.0° |
| C04 | C02 | C01 | H8 | 59.2° | 60.0° |
| C04 | C02 | C01 | H9 | 179.3° | 180.0° |
| C04 | C02 | C01 | H10 | 60.8° | 60.0° |
| C04 | C02 | C03 | H11 | 59.8° | 60.0° |
| C04 | C02 | C03 | H12 | 60.3° | 60.0° |
| C04 | C02 | C03 | H13 | 179.7° | 180.0° |
| C02 | C04 | H14 | H15 | 120.0° | 120.0° |
| C02 | C04 | H14 | H16 | 120.0° | 120.0° |
| C02 | C04 | H15 | H16 | 120.0° | 120.0° |
| C02 | C05 | C10 | C06 | 178.6° | 180.0° |
| C02 | C05 | C10 | C09 | 179.6° | 180.0° |
| C02 | C05 | C06 | C07 | 179.8° | 180.0° |
| C02 | C05 | C10 | H1 | 0.4° | 0.3° |
| C05 | C02 | C01 | H8 | 62.9° | 180.0° |
| C05 | C02 | C01 | H9 | 57.1° | 60.0° |
| C05 | C02 | C01 | H10 | 177.1° | 60.0° |
| C05 | C02 | C03 | H11 | 62.6° | 180.0° |
| C05 | C02 | C03 | H12 | 177.3° | 60.0° |
| C05 | C02 | C03 | H13 | 57.3° | 60.0° |
| C05 | C02 | C04 | H14 | 60.2° | 60.0° |
| C05 | C02 | C04 | H15 | 179.8° | 60.0° |
| C05 | C02 | C04 | H16 | 59.8° | 180.0° |
| C02 | C05 | C06 | H17 | 0.2° | 0.0° |
| C05 | C10 | C09 | H1 | 180.0° | 179.7° |
| C05 | C10 | C09 | C08 | 0.7° | 0.1° |
| C10 | C05 | C06 | C07 | 1.3° | 0.0° |
| C10 | C05 | C06 | H17 | 178.7° | 180.0° |
| C05 | C10 | C09 | H18 | 179.3° | 180.0° |
| C09 | C10 | C05 | C06 | 1.0° | 0.0° |
| C10 | C09 | C08 | H18 | 180.0° | 179.9° |
| C10 | C09 | C08 | C07 | 0.6° | 0.1° |
| C10 | C09 | C08 | O11 | 179.1° | 179.9° |
| C05 | C06 | C07 | H17 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 1.2° | 0.0° |
| C05 | C06 | C07 | C12 | 179.6° | 179.9° |
| C06 | C05 | C10 | H1 | 179.0° | 179.7° |
| C09 | C08 | C07 | C06 | 0.9° | 0.1° |
| C09 | C08 | C07 | O11 | 179.7° | 179.9° |
| C09 | C08 | C07 | C12 | 179.4° | 180.0° |
| C08 | C09 | C10 | H1 | 179.3° | 179.8° |
| C09 | C08 | O11 | H19 | 180.0° | 89.9° |
| C06 | C07 | C08 | C12 | 178.5° | 179.9° |
| C06 | C07 | C08 | O11 | 178.8° | 180.0° |
| C06 | C07 | C12 | C14 | 5.1° | 0.0° |
| C06 | C07 | C12 | C15 | 115.7° | 120.0° |
| C06 | C07 | C12 | C13 | 123.7° | 120.0° |
| C08 | C07 | C12 | C14 | 176.4° | 179.9° |
| C08 | C07 | C12 | C15 | 62.8° | 60.0° |
| C08 | C07 | C12 | C13 | 57.8° | 60.1° |
| C08 | C07 | C06 | H17 | 178.8° | 180.0° |
| C07 | C08 | C09 | H18 | 179.3° | 180.0° |
| C07 | C08 | O11 | H19 | 0.3° | 90.0° |
| O11 | C08 | C07 | C12 | 0.3° | 0.1° |
| O11 | C08 | C09 | H18 | 0.9° | 0.1° |
| C07 | C12 | C14 | C15 | 118.3° | 120.0° |
| C07 | C12 | C14 | C13 | 122.0° | 120.0° |
| C07 | C12 | C15 | C13 | 121.8° | 120.0° |
| C07 | C12 | C13 | H2 | 180.0° | 60.0° |
| C07 | C12 | C13 | H3 | 60.0° | 180.0° |
| C07 | C12 | C13 | H4 | 60.0° | 60.0° |
| C07 | C12 | C15 | H5 | 180.0° | 60.0° |
| C07 | C12 | C15 | H6 | 60.0° | 180.0° |
| C07 | C12 | C15 | H7 | 60.0° | 60.1° |
| C12 | C07 | C06 | H17 | 0.4° | 0.0° |
| C07 | C12 | C14 | H20 | 180.0° | 60.0° |
| C07 | C12 | C14 | H21 | 60.0° | 180.0° |
| C07 | C12 | C14 | H22 | 60.0° | 60.0° |
| C14 | C12 | C15 | C13 | 117.6° | 120.0° |
| C14 | C12 | C13 | H2 | 58.9° | 180.0° |
| C14 | C12 | C13 | H3 | 61.1° | 60.0° |
| C14 | C12 | C13 | H4 | 178.9° | 60.0° |
| C14 | C12 | C15 | H5 | 59.4° | 60.0° |
| C14 | C12 | C15 | H6 | 179.4° | 60.0° |
| C14 | C12 | C15 | H7 | 60.6° | 180.0° |
| C12 | C14 | H20 | H21 | 120.0° | 120.0° |
| C12 | C14 | H20 | H22 | 120.0° | 120.0° |
| C12 | C14 | H21 | H22 | 120.0° | 120.0° |
| C15 | C12 | C13 | H2 | 61.4° | 60.0° |
| C15 | C12 | C13 | H3 | 178.6° | 60.0° |
| C15 | C12 | C13 | H4 | 58.6° | 180.0° |
| C12 | C15 | H5 | H6 | 120.0° | 120.0° |
| C12 | C15 | H5 | H7 | 120.0° | 120.0° |
| C12 | C15 | H6 | H7 | 120.0° | 120.0° |
| C15 | C12 | C14 | H20 | 61.7° | 179.9° |
| C15 | C12 | C14 | H21 | 58.3° | 60.0° |
| C15 | C12 | C14 | H22 | 178.3° | 60.0° |
| C12 | C13 | H2 | H3 | 120.0° | 120.0° |
| C12 | C13 | H2 | H4 | 120.0° | 120.0° |
| C12 | C13 | H3 | H4 | 120.0° | 120.0° |
| C13 | C12 | C15 | H5 | 58.2° | 180.0° |
| C13 | C12 | C15 | H6 | 61.8° | 60.0° |
| C13 | C12 | C15 | H7 | 178.2° | 59.9° |
| C13 | C12 | C14 | H20 | 58.1° | 60.0° |
| C13 | C12 | C14 | H21 | 178.0° | 60.0° |
| C13 | C12 | C14 | H22 | 61.9° | 180.0° |
| H1 | C10 | C09 | H18 | 0.7° | 0.3° |
| H2 | C13 | H3 | H4 | 120.0° | 120.0° |
| H5 | C15 | H6 | H7 | 120.0° | 120.0° |
| H8 | C01 | H9 | H10 | 120.0° | 120.0° |
| H11 | C03 | H12 | H13 | 120.0° | 119.9° |
| H14 | C04 | H15 | H16 | 120.0° | 120.0° |
| H20 | C14 | H21 | H22 | 120.0° | 120.0° |
