UP0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C16 | sing | 1.51Å | 1.52Å | |
| O14 | C12 | sing | 1.43Å | 1.42Å | |
| C16 | C15 | doub | 1.31Å | 1.33Å | |
| C12 | C15 | sing | 1.51Å | 1.54Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C15 | C18 | sing | 1.51Å | 1.55Å | |
| C11 | C9 | sing | 1.50Å | 1.49Å | |
| C18 | C19 | sing | 1.50Å | 1.54Å | |
| O10 | C9 | doub | 1.21Å | 1.20Å | |
| C9 | C6 | sing | 1.50Å | 1.52Å | |
| O26 | C24 | doub | 1.22Å | 1.35Å | |
| C19 | C24 | sing | 1.48Å | 1.49Å | |
| C19 | C20 | doub | 1.35Å | 1.36Å | |
| C24 | O25 | sing | 1.35Å | 1.22Å | |
| O8 | C6 | sing | 1.43Å | 1.44Å | |
| C6 | C4 | sing | 1.54Å | 1.54Å | |
| C20 | C4 | sing | 1.52Å | 1.56Å | |
| C20 | C21 | sing | 1.48Å | 1.48Å | |
| C4 | C3 | sing | 1.53Å | 1.57Å | |
| C1 | C2 | sing | 1.53Å | 1.56Å | |
| C21 | O22 | doub | 1.22Å | 1.20Å | |
| C21 | O23 | sing | 1.35Å | 1.31Å | |
| C3 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| O8 | H7 | sing | 0.97Å | 0.95Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C6 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| O14 | H18 | sing | 0.97Å | 0.95Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| O23 | H21 | sing | 0.97Å | 0.95Å | |
| O25 | H22 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C16 | C15 | 127.0° | 120.0° |
| C17 | C16 | H10 | 116.5° | 120.0° |
| C16 | C17 | H11 | 109.5° | 109.5° |
| C16 | C17 | H12 | 109.5° | 109.5° |
| C16 | C17 | H13 | 109.5° | 109.5° |
| O14 | C12 | C15 | 112.9° | 109.1° |
| O14 | C12 | C11 | 99.3° | 109.1° |
| O14 | C12 | H17 | 110.5° | 109.1° |
| C12 | O14 | H18 | 109.5° | 114.0° |
| C16 | C15 | C12 | 123.6° | 120.7° |
| C16 | C15 | C18 | 117.7° | 120.6° |
| C15 | C16 | H10 | 116.5° | 120.0° |
| C15 | C12 | C11 | 115.7° | 111.4° |
| C12 | C15 | C18 | 118.6° | 118.7° |
| C15 | C12 | H17 | 109.0° | 109.1° |
| C12 | C11 | C9 | 116.0° | 113.0° |
| C12 | C11 | H8 | 107.8° | 108.7° |
| C12 | C11 | H9 | 107.8° | 108.7° |
| C11 | C12 | H17 | 109.1° | 109.0° |
| C15 | C18 | C19 | 112.2° | 108.7° |
| C15 | C18 | H19 | 108.8° | 109.7° |
| C15 | C18 | H20 | 108.8° | 109.7° |
| C11 | C9 | O10 | 118.1° | 119.4° |
| C11 | C9 | C6 | 122.4° | 121.2° |
| C9 | C11 | H8 | 107.8° | 108.8° |
| C9 | C11 | H9 | 107.9° | 108.8° |
| C18 | C19 | C24 | 114.8° | 119.5° |
| C18 | C19 | C20 | 127.3° | 120.9° |
| C19 | C18 | H19 | 108.8° | 109.7° |
| C19 | C18 | H20 | 108.8° | 109.6° |
| O10 | C9 | C6 | 119.5° | 119.4° |
| C9 | C6 | O8 | 105.3° | 109.8° |
| C9 | C6 | C4 | 110.6° | 107.5° |
| C9 | C6 | H16 | 109.7° | 109.9° |
| O26 | C24 | C19 | 116.3° | 120.0° |
| O26 | C24 | O25 | 120.2° | 120.0° |
| C24 | C19 | C20 | 117.7° | 119.6° |
| C19 | C24 | O25 | 123.6° | 120.0° |
| C19 | C20 | C4 | 123.3° | 118.0° |
| C19 | C20 | C21 | 119.0° | 121.0° |
| C24 | O25 | H22 | 109.5° | 117.0° |
| O8 | C6 | C4 | 110.8° | 109.9° |
| C6 | O8 | H7 | 109.5° | 114.0° |
| O8 | C6 | H16 | 110.9° | 109.9° |
| C6 | C4 | C20 | 112.0° | 109.1° |
| C6 | C4 | C3 | 112.6° | 109.5° |
| C6 | C4 | H6 | 106.7° | 109.5° |
| C4 | C6 | H16 | 109.4° | 109.9° |
| C4 | C20 | C21 | 117.7° | 121.0° |
| C20 | C4 | C3 | 112.0° | 109.5° |
| C20 | C4 | H6 | 106.6° | 109.6° |
| C20 | C21 | O22 | 115.7° | 120.0° |
| C20 | C21 | O23 | 122.3° | 120.0° |
| C4 | C3 | C2 | 111.5° | 109.5° |
| C3 | C4 | H6 | 106.4° | 109.5° |
| C4 | C3 | H14 | 109.0° | 109.5° |
| C4 | C3 | H15 | 108.9° | 109.5° |
| C1 | C2 | C3 | 113.7° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 108.4° | 109.5° |
| C1 | C2 | H5 | 108.4° | 109.5° |
| O22 | C21 | O23 | 122.0° | 120.0° |
| C21 | O23 | H21 | 109.5° | 117.0° |
| C3 | C2 | H4 | 108.4° | 109.4° |
| C3 | C2 | H5 | 108.4° | 109.5° |
| C2 | C3 | H14 | 109.0° | 109.4° |
| C2 | C3 | H15 | 109.0° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.4° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H4 | C2 | H5 | 109.5° | 109.5° |
| H8 | C11 | H9 | 109.5° | 108.7° |
| H11 | C17 | H12 | 109.5° | 109.4° |
| H11 | C17 | H13 | 109.4° | 109.4° |
| H12 | C17 | H13 | 109.5° | 109.4° |
| H14 | C3 | H15 | 109.5° | 109.5° |
| H19 | C18 | H20 | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C16 | C15 | H10 | 180.0° | 180.0° |
| C17 | C16 | C15 | C12 | 4.2° | 0.1° |
| C17 | C16 | C15 | C18 | 178.7° | 180.0° |
| C16 | C17 | H11 | H12 | 120.0° | 120.0° |
| C16 | C17 | H11 | H13 | 120.0° | 120.0° |
| C16 | C17 | H12 | H13 | 120.0° | 120.0° |
| O14 | C12 | C15 | C16 | 93.4° | 164.7° |
| O14 | C12 | C15 | C11 | 113.5° | 120.5° |
| O14 | C12 | C15 | H17 | 123.2° | 119.1° |
| O14 | C12 | C11 | H17 | 115.6° | 119.1° |
| O14 | C12 | C15 | C18 | 83.7° | 15.2° |
| O14 | C12 | C11 | C9 | 177.6° | 59.6° |
| O14 | C12 | C11 | H8 | 61.5° | 61.2° |
| O14 | C12 | C11 | H9 | 56.6° | 179.4° |
| C16 | C15 | C12 | C18 | 177.1° | 179.9° |
| C16 | C15 | C12 | C11 | 153.1° | 74.8° |
| C16 | C15 | C18 | C19 | 77.2° | 80.5° |
| C15 | C16 | C17 | H11 | 180.0° | 180.0° |
| C15 | C16 | C17 | H12 | 60.0° | 60.0° |
| C15 | C16 | C17 | H13 | 60.0° | 60.0° |
| C16 | C15 | C12 | H17 | 29.8° | 45.6° |
| C16 | C15 | C18 | H19 | 162.4° | 159.6° |
| C16 | C15 | C18 | H20 | 43.2° | 39.3° |
| C15 | C12 | C11 | H17 | 123.3° | 120.4° |
| C15 | C12 | C11 | C9 | 56.5° | 60.8° |
| C12 | C15 | C18 | C19 | 105.5° | 99.6° |
| C15 | C12 | C11 | H8 | 177.4° | 178.3° |
| C15 | C12 | C11 | H9 | 64.5° | 60.1° |
| C12 | C15 | C16 | H10 | 175.9° | 179.9° |
| C15 | C12 | O14 | H18 | 180.0° | 179.9° |
| C12 | C15 | C18 | H19 | 14.9° | 20.3° |
| C12 | C15 | C18 | H20 | 134.1° | 140.6° |
| C11 | C12 | C15 | C18 | 29.8° | 105.3° |
| C12 | C11 | C9 | H8 | 120.9° | 120.8° |
| C12 | C11 | C9 | H9 | 121.0° | 120.9° |
| C12 | C11 | C9 | O10 | 41.2° | 116.8° |
| C12 | C11 | C9 | C6 | 141.1° | 63.1° |
| C12 | C11 | H8 | H9 | 117.0° | 118.2° |
| C11 | C12 | O14 | H18 | 56.9° | 58.1° |
| C15 | C18 | C19 | H19 | 120.4° | 119.9° |
| C15 | C18 | C19 | H20 | 120.4° | 119.8° |
| C15 | C18 | C19 | C24 | 77.2° | 88.4° |
| C15 | C18 | C19 | C20 | 106.9° | 91.4° |
| C18 | C15 | C16 | H10 | 1.3° | 0.0° |
| C18 | C15 | C12 | H17 | 153.1° | 134.3° |
| C15 | C18 | H19 | H20 | 118.7° | 120.4° |
| C11 | C9 | O10 | C6 | 177.8° | 179.9° |
| C11 | C9 | C6 | O8 | 51.9° | 26.9° |
| C11 | C9 | C6 | C4 | 67.9° | 92.6° |
| C9 | C11 | H8 | H9 | 117.1° | 118.3° |
| C11 | C9 | C6 | H16 | 171.3° | 147.9° |
| C9 | C11 | C12 | H17 | 66.8° | 178.7° |
| C18 | C19 | C24 | O26 | 45.0° | 174.0° |
| C18 | C19 | C24 | C20 | 176.4° | 179.9° |
| C18 | C19 | C24 | O25 | 136.2° | 6.1° |
| C18 | C19 | C20 | C4 | 2.7° | 0.7° |
| C18 | C19 | C20 | C21 | 179.0° | 179.2° |
| C19 | C18 | H19 | H20 | 118.8° | 120.3° |
| O10 | C9 | C6 | O8 | 125.9° | 153.2° |
| O10 | C9 | C6 | C4 | 114.3° | 87.3° |
| O10 | C9 | C11 | H8 | 79.8° | 122.3° |
| O10 | C9 | C11 | H9 | 162.1° | 4.1° |
| O10 | C9 | C6 | H16 | 6.4° | 32.2° |
| C9 | C6 | O8 | C4 | 119.6° | 118.0° |
| C9 | C6 | O8 | H16 | 118.7° | 121.0° |
| C9 | C6 | C4 | H16 | 121.0° | 119.5° |
| C9 | C6 | C4 | C20 | 56.8° | 43.9° |
| C9 | C6 | C4 | C3 | 175.9° | 163.8° |
| C9 | C6 | C4 | H6 | 59.4° | 76.1° |
| C9 | C6 | O8 | H7 | 180.0° | 60.0° |
| C6 | C9 | C11 | H8 | 98.0° | 57.7° |
| C6 | C9 | C11 | H9 | 20.1° | 176.0° |
| O26 | C24 | C19 | O25 | 178.7° | 179.9° |
| O26 | C24 | C19 | C20 | 131.3° | 5.9° |
| O26 | C24 | O25 | H22 | 0.0° | 0.0° |
| C24 | C19 | C20 | C4 | 178.6° | 179.1° |
| C24 | C19 | C20 | C21 | 5.2° | 1.0° |
| C24 | C19 | C18 | H19 | 162.4° | 151.7° |
| C24 | C19 | C18 | H20 | 43.3° | 31.4° |
| C19 | C24 | O25 | H22 | 178.7° | 180.0° |
| C20 | C19 | C24 | O25 | 47.4° | 174.1° |
| C19 | C20 | C4 | C6 | 92.2° | 109.6° |
| C19 | C20 | C4 | C21 | 176.3° | 179.9° |
| C19 | C20 | C4 | C3 | 140.1° | 130.5° |
| C19 | C20 | C21 | O22 | 96.2° | 97.5° |
| C19 | C20 | C21 | O23 | 81.9° | 82.5° |
| C19 | C20 | C4 | H6 | 24.1° | 10.3° |
| C20 | C19 | C18 | H19 | 13.5° | 28.5° |
| C20 | C19 | C18 | H20 | 132.7° | 148.7° |
| O8 | C6 | C4 | H16 | 122.6° | 121.0° |
| O8 | C6 | C4 | C20 | 173.3° | 163.4° |
| O8 | C6 | C4 | C3 | 59.5° | 76.7° |
| O8 | C6 | C4 | H6 | 57.0° | 43.4° |
| C6 | C4 | C20 | C3 | 127.7° | 119.9° |
| C6 | C4 | C20 | H6 | 116.3° | 119.9° |
| C6 | C4 | C20 | C21 | 84.1° | 70.5° |
| C6 | C4 | C3 | H6 | 116.6° | 120.1° |
| C6 | C4 | C3 | C2 | 157.0° | 175.1° |
| C4 | C6 | O8 | H7 | 60.4° | 178.1° |
| C6 | C4 | C3 | H14 | 82.7° | 55.2° |
| C6 | C4 | C3 | H15 | 36.7° | 64.8° |
| C20 | C4 | C3 | H6 | 116.1° | 120.2° |
| C4 | C20 | C21 | O22 | 80.3° | 82.5° |
| C4 | C20 | C21 | O23 | 101.7° | 97.6° |
| C20 | C4 | C3 | C2 | 75.7° | 65.2° |
| C20 | C4 | C3 | H14 | 44.7° | 174.8° |
| C20 | C4 | C3 | H15 | 164.0° | 54.8° |
| C20 | C4 | C6 | H16 | 64.1° | 75.6° |
| C21 | C20 | C4 | C3 | 43.6° | 49.4° |
| C20 | C21 | O22 | O23 | 178.1° | 180.0° |
| C21 | C20 | C4 | H6 | 159.6° | 169.6° |
| C20 | C21 | O23 | H21 | 178.0° | 179.9° |
| C4 | C3 | C2 | C1 | 58.2° | 180.0° |
| C4 | C3 | C2 | H14 | 120.3° | 120.0° |
| C4 | C3 | C2 | H15 | 120.3° | 120.1° |
| C4 | C3 | C2 | H4 | 178.9° | 60.0° |
| C4 | C3 | C2 | H5 | 62.4° | 59.9° |
| C4 | C3 | H14 | H15 | 119.1° | 120.0° |
| C3 | C4 | C6 | H16 | 63.2° | 44.3° |
| C1 | C2 | C3 | H4 | 120.6° | 120.0° |
| C1 | C2 | C3 | H5 | 120.6° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H4 | H5 | 118.1° | 120.0° |
| C1 | C2 | C3 | H14 | 178.6° | 60.0° |
| C1 | C2 | C3 | H15 | 62.0° | 60.0° |
| O22 | C21 | O23 | H21 | 0.0° | 0.1° |
| C3 | C2 | C1 | H1 | 180.0° | 59.9° |
| C3 | C2 | C1 | H2 | 60.0° | 60.0° |
| C3 | C2 | C1 | H3 | 60.0° | 180.0° |
| C3 | C2 | H4 | H5 | 118.1° | 120.0° |
| C2 | C3 | C4 | H6 | 40.4° | 55.0° |
| C2 | C3 | H14 | H15 | 119.1° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 59.4° | 60.0° |
| H1 | C1 | C2 | H5 | 59.4° | 180.0° |
| H2 | C1 | C2 | H4 | 60.6° | NaN° |
| H2 | C1 | C2 | H5 | 179.4° | 60.0° |
| H3 | C1 | C2 | H4 | 179.4° | 60.0° |
| H3 | C1 | C2 | H5 | 60.6° | 60.0° |
| H4 | C2 | C3 | H14 | 60.8° | NaN° |
| H4 | C2 | C3 | H15 | 58.6° | 60.0° |
| H5 | C2 | C3 | H14 | 58.0° | 60.0° |
| H5 | C2 | C3 | H15 | 177.4° | 180.0° |
| H6 | C4 | C3 | H14 | 160.7° | 65.0° |
| H6 | C4 | C3 | H15 | 79.9° | 175.0° |
| H6 | C4 | C6 | H16 | 179.6° | 164.4° |
| H7 | O8 | C6 | H16 | 61.4° | 60.9° |
| H8 | C11 | C12 | H17 | 54.2° | 57.8° |
| H9 | C11 | C12 | H17 | 172.3° | 60.3° |
| H10 | C16 | C17 | H11 | 0.0° | 0.0° |
| H10 | C16 | C17 | H12 | 120.0° | 120.0° |
| H10 | C16 | C17 | H13 | 120.0° | 120.0° |
| H11 | C17 | H12 | H13 | 120.0° | 119.9° |
| H17 | C12 | O14 | H18 | 57.6° | 61.0° |
