3UM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C12 | C5 | sing | 1.53Å | 1.56Å | |
| C12 | C9 | sing | 1.54Å | 1.56Å | |
| C5 | C2 | sing | 1.53Å | 1.58Å | |
| C9 | C3 | sing | 1.53Å | 1.58Å | |
| O4 | C6 | doub | 1.21Å | 1.26Å | |
| C6 | C2 | sing | 1.51Å | 1.53Å | |
| C6 | O3 | sing | 1.34Å | 1.26Å | |
| C2 | C7 | sing | 1.53Å | 1.57Å | |
| C2 | C1 | sing | 1.53Å | 1.60Å | |
| C10 | C3 | sing | 1.53Å | 1.58Å | |
| C3 | C1 | sing | 1.53Å | 1.60Å | |
| C3 | C8 | sing | 1.53Å | 1.58Å | |
| C14 | C8 | sing | 1.53Å | 1.57Å | |
| C14 | C16 | sing | 1.50Å | 1.51Å | |
| C1 | O1 | sing | 1.43Å | 1.46Å | |
| C1 | C4 | sing | 1.53Å | 1.58Å | |
| C8 | C13 | sing | 1.53Å | 1.56Å | |
| C16 | C17 | doub | 1.31Å | 1.34Å | |
| C4 | O2 | sing | 1.43Å | 1.43Å | |
| C4 | C11 | sing | 1.53Å | 1.56Å | |
| C13 | C11 | sing | 1.53Å | 1.55Å | |
| C13 | C15 | sing | 1.53Å | 1.56Å | |
| C17 | C15 | sing | 1.50Å | 1.52Å | |
| C17 | C19 | sing | 1.47Å | 1.48Å | |
| C15 | C18 | sing | 1.53Å | 1.56Å | |
| C19 | C20 | doub | 1.33Å | 1.33Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| O3 | H3 | sing | 0.97Å | 0.95Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å | |
| C4 | H19 | sing | 1.09Å | 1.10Å | |
| C5 | H20 | sing | 1.09Å | 1.10Å | |
| C5 | H21 | sing | 1.09Å | 1.10Å | |
| C7 | H22 | sing | 1.09Å | 1.10Å | |
| C7 | H23 | sing | 1.09Å | 1.10Å | |
| C7 | H24 | sing | 1.09Å | 1.10Å | |
| C8 | H25 | sing | 1.09Å | 1.10Å | |
| C9 | H26 | sing | 1.09Å | 1.10Å | |
| C9 | H27 | sing | 1.09Å | 1.10Å | |
| C10 | H28 | sing | 1.09Å | 1.10Å | |
| C10 | H29 | sing | 1.09Å | 1.10Å | |
| C10 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C12 | C9 | 113.4° | 109.3° |
| C12 | C5 | C2 | 115.4° | 109.4° |
| C5 | C12 | H6 | 108.5° | 109.4° |
| C5 | C12 | H7 | 108.5° | 109.5° |
| C12 | C5 | H20 | 108.0° | 109.5° |
| C12 | C5 | H21 | 108.0° | 109.4° |
| C12 | C9 | C3 | 115.5° | 109.4° |
| C9 | C12 | H6 | 108.5° | 109.4° |
| C9 | C12 | H7 | 108.5° | 109.6° |
| C12 | C9 | H26 | 107.9° | 109.5° |
| C12 | C9 | H27 | 108.0° | 109.5° |
| C5 | C2 | C6 | 107.7° | 109.5° |
| C5 | C2 | C7 | 107.7° | 109.4° |
| C5 | C2 | C1 | 109.4° | 109.5° |
| C2 | C5 | H20 | 108.0° | 109.6° |
| C2 | C5 | H21 | 108.0° | 109.4° |
| C9 | C3 | C10 | 109.6° | 109.1° |
| C9 | C3 | C1 | 108.1° | 109.6° |
| C9 | C3 | C8 | 106.6° | 109.3° |
| C3 | C9 | H26 | 108.0° | 109.4° |
| C3 | C9 | H27 | 107.9° | 109.6° |
| O4 | C6 | C2 | 120.1° | 120.0° |
| O4 | C6 | O3 | 119.7° | 120.0° |
| C2 | C6 | O3 | 120.2° | 120.0° |
| C6 | C2 | C7 | 103.4° | 109.4° |
| C6 | C2 | C1 | 115.3° | 109.5° |
| C6 | O3 | H3 | 109.5° | 117.0° |
| C7 | C2 | C1 | 112.9° | 109.5° |
| C2 | C7 | H22 | 109.5° | 109.4° |
| C2 | C7 | H23 | 109.5° | 109.5° |
| C2 | C7 | H24 | 109.5° | 109.5° |
| C2 | C1 | C3 | 114.5° | 109.8° |
| C2 | C1 | O1 | 104.7° | 109.6° |
| C2 | C1 | C4 | 116.6° | 109.3° |
| C10 | C3 | C1 | 115.8° | 109.4° |
| C10 | C3 | C8 | 107.5° | 109.4° |
| C3 | C10 | H28 | 109.5° | 109.5° |
| C3 | C10 | H29 | 109.5° | 109.5° |
| C3 | C10 | H30 | 109.5° | 109.5° |
| C1 | C3 | C8 | 109.0° | 110.1° |
| C3 | C1 | O1 | 109.0° | 109.6° |
| C3 | C1 | C4 | 111.2° | 109.0° |
| C3 | C8 | C14 | 114.3° | 108.0° |
| C3 | C8 | C13 | 113.7° | 109.9° |
| C3 | C8 | H25 | 105.2° | 109.9° |
| C8 | C14 | C16 | 116.5° | 110.6° |
| C14 | C8 | C13 | 111.8° | 108.6° |
| C8 | C14 | H9 | 107.7° | 109.2° |
| C8 | C14 | H10 | 107.7° | 109.2° |
| C14 | C8 | H25 | 105.4° | 110.0° |
| C14 | C16 | C17 | 124.4° | 123.7° |
| C16 | C14 | H9 | 107.7° | 109.2° |
| C16 | C14 | H10 | 107.7° | 109.2° |
| C14 | C16 | H12 | 117.8° | 118.1° |
| O1 | C1 | C4 | 99.3° | 109.6° |
| C1 | O1 | H1 | 109.5° | 114.0° |
| C1 | C4 | O2 | 118.9° | 109.6° |
| C1 | C4 | C11 | 113.1° | 109.0° |
| C1 | C4 | H19 | 105.5° | 109.6° |
| C8 | C13 | C11 | 112.8° | 109.8° |
| C8 | C13 | C15 | 111.9° | 108.6° |
| C8 | C13 | H8 | 106.8° | 110.4° |
| C13 | C8 | H25 | 105.5° | 110.4° |
| C16 | C17 | C15 | 121.4° | 123.8° |
| C16 | C17 | C19 | 118.9° | 118.1° |
| C17 | C16 | H12 | 117.8° | 118.2° |
| O2 | C4 | C11 | 105.6° | 109.5° |
| C4 | O2 | H2 | 109.5° | 114.0° |
| O2 | C4 | H19 | 107.2° | 109.6° |
| C4 | C11 | C13 | 113.1° | 110.1° |
| C4 | C11 | H4 | 108.6° | 109.3° |
| C4 | C11 | H5 | 108.6° | 109.3° |
| C11 | C4 | H19 | 105.7° | 109.6° |
| C11 | C13 | C15 | 111.4° | 108.0° |
| C13 | C11 | H4 | 108.6° | 109.3° |
| C13 | C11 | H5 | 108.5° | 109.4° |
| C11 | C13 | H8 | 106.9° | 110.0° |
| C13 | C15 | C17 | 110.6° | 110.7° |
| C13 | C15 | C18 | 117.5° | 109.2° |
| C15 | C13 | H8 | 106.7° | 109.9° |
| C13 | C15 | H11 | 107.4° | 109.3° |
| C15 | C17 | C19 | 119.7° | 118.1° |
| C17 | C15 | C18 | 105.8° | 109.2° |
| C17 | C15 | H11 | 107.9° | 109.2° |
| C17 | C19 | C20 | 126.5° | 120.0° |
| C17 | C19 | H16 | 116.8° | 120.0° |
| C18 | C15 | H11 | 107.3° | 109.2° |
| C15 | C18 | H13 | 109.5° | 109.5° |
| C15 | C18 | H14 | 109.5° | 109.5° |
| C15 | C18 | H15 | 109.5° | 109.4° |
| C20 | C19 | H16 | 116.8° | 120.0° |
| C19 | C20 | H17 | 120.0° | 120.0° |
| C19 | C20 | H18 | 120.0° | 120.0° |
| H4 | C11 | H5 | 109.5° | 109.4° |
| H6 | C12 | H7 | 109.5° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.3° |
| H13 | C18 | H14 | 109.4° | 109.5° |
| H13 | C18 | H15 | 109.4° | 109.5° |
| H14 | C18 | H15 | 109.5° | 109.4° |
| H17 | C20 | H18 | 120.0° | 120.0° |
| H20 | C5 | H21 | 109.5° | 109.5° |
| H22 | C7 | H23 | 109.4° | 109.5° |
| H22 | C7 | H24 | 109.5° | 109.4° |
| H23 | C7 | H24 | 109.5° | 109.5° |
| H26 | C9 | H27 | 109.5° | 109.4° |
| H28 | C10 | H29 | 109.4° | 109.5° |
| H28 | C10 | H30 | 109.5° | 109.4° |
| H29 | C10 | H30 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C12 | C9 | H6 | 120.6° | 119.8° |
| C5 | C12 | C9 | H7 | 120.6° | 120.1° |
| C12 | C5 | C2 | H20 | 120.8° | 120.1° |
| C12 | C5 | C2 | H21 | 120.9° | 119.9° |
| C5 | C12 | C9 | C3 | 49.0° | 60.1° |
| C12 | C5 | C2 | C6 | 77.2° | 60.0° |
| C12 | C5 | C2 | C7 | 171.9° | 179.9° |
| C12 | C5 | C2 | C1 | 48.8° | 60.1° |
| C5 | C12 | H6 | H7 | 118.2° | 120.1° |
| C12 | C5 | H20 | H21 | 117.3° | 120.0° |
| C5 | C12 | C9 | H26 | 71.9° | 179.9° |
| C5 | C12 | C9 | H27 | 169.8° | 60.0° |
| C9 | C12 | C5 | C2 | 47.1° | 60.3° |
| C12 | C9 | C3 | H26 | 120.9° | 119.9° |
| C12 | C9 | C3 | H27 | 120.9° | 120.0° |
| C12 | C9 | C3 | C10 | 75.3° | 60.2° |
| C12 | C9 | C3 | C1 | 51.7° | 59.6° |
| C12 | C9 | C3 | C8 | 168.7° | 179.7° |
| C9 | C12 | H6 | H7 | 118.3° | 120.2° |
| C9 | C12 | C5 | H20 | 167.9° | 59.9° |
| C9 | C12 | C5 | H21 | 73.8° | 179.9° |
| C12 | C9 | H26 | H27 | 117.3° | 120.0° |
| C5 | C2 | C6 | O4 | 25.1° | 172.2° |
| C5 | C2 | C6 | C7 | 113.9° | 119.9° |
| C5 | C2 | C6 | C1 | 122.5° | 120.1° |
| C5 | C2 | C6 | O3 | 155.7° | 7.8° |
| C5 | C2 | C7 | C1 | 120.9° | 120.0° |
| C5 | C2 | C1 | C3 | 54.0° | 59.7° |
| C5 | C2 | C1 | O1 | 65.3° | 60.7° |
| C5 | C2 | C1 | C4 | 173.8° | 179.2° |
| C2 | C5 | C12 | H6 | 167.6° | 179.9° |
| C2 | C5 | C12 | H7 | 73.6° | 59.8° |
| C2 | C5 | H20 | H21 | 117.3° | 120.0° |
| C5 | C2 | C7 | H22 | 180.0° | 180.0° |
| C5 | C2 | C7 | H23 | 60.0° | 59.9° |
| C5 | C2 | C7 | H24 | 60.0° | 60.1° |
| C9 | C3 | C1 | C2 | 55.1° | 59.5° |
| C9 | C3 | C10 | C1 | 122.5° | 119.9° |
| C9 | C3 | C10 | C8 | 115.4° | 119.4° |
| C9 | C3 | C1 | C8 | 115.4° | 120.2° |
| C9 | C3 | C8 | C14 | 58.4° | 62.6° |
| C9 | C3 | C1 | O1 | 61.8° | 60.9° |
| C9 | C3 | C1 | C4 | 170.2° | 179.2° |
| C9 | C3 | C8 | C13 | 171.6° | 179.1° |
| C3 | C9 | C12 | H6 | 169.5° | 179.9° |
| C3 | C9 | C12 | H7 | 71.6° | 59.9° |
| C9 | C3 | C8 | H25 | 56.7° | 57.4° |
| C3 | C9 | H26 | H27 | 117.3° | 120.1° |
| C9 | C3 | C10 | H28 | 180.0° | 173.5° |
| C9 | C3 | C10 | H29 | 60.0° | 66.5° |
| C9 | C3 | C10 | H30 | 60.0° | 53.6° |
| O4 | C6 | C2 | O3 | 179.3° | 180.0° |
| O4 | C6 | C2 | C7 | 138.9° | 52.3° |
| O4 | C6 | C2 | C1 | 97.4° | 67.7° |
| O4 | C6 | O3 | H3 | 0.0° | 0.0° |
| C6 | C2 | C7 | C1 | 125.3° | 120.0° |
| C6 | C2 | C1 | C3 | 67.6° | 60.4° |
| C6 | C2 | C1 | O1 | 173.1° | 179.2° |
| C6 | C2 | C1 | C4 | 64.6° | 59.1° |
| C2 | C6 | O3 | H3 | 179.3° | 180.0° |
| C6 | C2 | C5 | H20 | 43.6° | 179.9° |
| C6 | C2 | C5 | H21 | 161.9° | 59.9° |
| C6 | C2 | C7 | H22 | 66.1° | 60.0° |
| C6 | C2 | C7 | H23 | 53.8° | 60.0° |
| C6 | C2 | C7 | H24 | 173.9° | 180.0° |
| O3 | C6 | C2 | C7 | 41.8° | 127.7° |
| O3 | C6 | C2 | C1 | 81.8° | 112.3° |
| C7 | C2 | C1 | C3 | 173.9° | 179.7° |
| C7 | C2 | C1 | O1 | 54.6° | 59.3° |
| C7 | C2 | C1 | C4 | 53.9° | 60.8° |
| C7 | C2 | C5 | H20 | 67.3° | 60.0° |
| C7 | C2 | C5 | H21 | 51.0° | 60.1° |
| C2 | C7 | H22 | H23 | 120.0° | 120.0° |
| C2 | C7 | H22 | H24 | 120.0° | 120.0° |
| C2 | C7 | H23 | H24 | 120.0° | 120.0° |
| C2 | C1 | C3 | C10 | 68.2° | 60.1° |
| C2 | C1 | C3 | O1 | 116.9° | 120.4° |
| C2 | C1 | C3 | C4 | 134.7° | 119.7° |
| C2 | C1 | C3 | C8 | 170.5° | 179.7° |
| C2 | C1 | O1 | C4 | 120.7° | 119.9° |
| C2 | C1 | C4 | O2 | 62.5° | 61.4° |
| C2 | C1 | C4 | C11 | 172.8° | 178.8° |
| C2 | C1 | O1 | H1 | 180.0° | 59.9° |
| C2 | C1 | C4 | H19 | 57.8° | 58.8° |
| C1 | C2 | C5 | H20 | 169.7° | 60.0° |
| C1 | C2 | C5 | H21 | 72.0° | 179.9° |
| C1 | C2 | C7 | H22 | 59.2° | 60.0° |
| C1 | C2 | C7 | H23 | 179.1° | 180.0° |
| C1 | C2 | C7 | H24 | 60.9° | 60.0° |
| C10 | C3 | C1 | C8 | 121.3° | 120.2° |
| C10 | C3 | C8 | C14 | 59.0° | 56.7° |
| C10 | C3 | C1 | O1 | 175.0° | 179.5° |
| C10 | C3 | C1 | C4 | 66.5° | 59.6° |
| C10 | C3 | C8 | C13 | 71.0° | 61.6° |
| C10 | C3 | C8 | H25 | 174.1° | 176.7° |
| C10 | C3 | C9 | H26 | 163.9° | 59.8° |
| C10 | C3 | C9 | H27 | 45.6° | 179.8° |
| C3 | C10 | H28 | H29 | 120.0° | 120.0° |
| C3 | C10 | H28 | H30 | 120.0° | 120.0° |
| C3 | C10 | H29 | H30 | 120.0° | 120.0° |
| C1 | C3 | C8 | C14 | 174.8° | 177.0° |
| C3 | C1 | O1 | C4 | 116.4° | 119.5° |
| C1 | C3 | C8 | C13 | 55.2° | 58.7° |
| C3 | C1 | C4 | O2 | 71.2° | 58.6° |
| C3 | C1 | C4 | C11 | 53.6° | 61.2° |
| C3 | C1 | O1 | H1 | 57.1° | 179.5° |
| C3 | C1 | C4 | H19 | 168.6° | 178.9° |
| C1 | C3 | C8 | H25 | 59.7° | 63.0° |
| C1 | C3 | C9 | H26 | 69.2° | 179.6° |
| C1 | C3 | C9 | H27 | 172.6° | 60.4° |
| C1 | C3 | C10 | H28 | 57.5° | 53.6° |
| C1 | C3 | C10 | H29 | 177.5° | 173.6° |
| C1 | C3 | C10 | H30 | 62.5° | 66.3° |
| C3 | C8 | C14 | C13 | 130.9° | 119.1° |
| C3 | C8 | C14 | H25 | 115.0° | 120.0° |
| C3 | C8 | C14 | C16 | 151.2° | 168.4° |
| C8 | C3 | C1 | O1 | 53.7° | 59.3° |
| C8 | C3 | C1 | C4 | 54.8° | 60.6° |
| C3 | C8 | C13 | H25 | 114.8° | 121.4° |
| C3 | C8 | C13 | C11 | 52.9° | 57.3° |
| C3 | C8 | C13 | C15 | 179.4° | 175.2° |
| C3 | C8 | C13 | H8 | 64.2° | 64.2° |
| C3 | C8 | C14 | H9 | 87.8° | 48.2° |
| C3 | C8 | C14 | H10 | 30.2° | 71.4° |
| C8 | C3 | C9 | H26 | 47.8° | 59.7° |
| C8 | C3 | C9 | H27 | 70.4° | 60.3° |
| C8 | C3 | C10 | H28 | 64.6° | 67.0° |
| C8 | C3 | C10 | H29 | 55.4° | 53.0° |
| C8 | C3 | C10 | H30 | 175.4° | 173.0° |
| C8 | C14 | C16 | H9 | 121.0° | 120.3° |
| C8 | C14 | C16 | H10 | 121.0° | 120.2° |
| C14 | C8 | C13 | H25 | 114.0° | 120.6° |
| C8 | C14 | C16 | C17 | 4.7° | 17.2° |
| C14 | C8 | C13 | C11 | 175.9° | 175.3° |
| C14 | C8 | C13 | C15 | 49.4° | 66.8° |
| C14 | C8 | C13 | H8 | 67.0° | 53.8° |
| C8 | C14 | H9 | H10 | 116.8° | 119.5° |
| C8 | C14 | C16 | H12 | 175.3° | 162.8° |
| C16 | C14 | C8 | C13 | 20.3° | 49.3° |
| C14 | C16 | C17 | H12 | 180.0° | 180.0° |
| C14 | C16 | C17 | C15 | 0.9° | 0.6° |
| C14 | C16 | C17 | C19 | 179.0° | 179.3° |
| C16 | C14 | H9 | H10 | 116.8° | 119.4° |
| C16 | C14 | C8 | H25 | 93.8° | 71.6° |
| O1 | C1 | C4 | O2 | 174.1° | 178.5° |
| O1 | C1 | C4 | C11 | 61.1° | 58.7° |
| O1 | C1 | C4 | H19 | 53.9° | 61.2° |
| C1 | C4 | O2 | C11 | 128.3° | 119.5° |
| C1 | C4 | O2 | H19 | 119.4° | 120.2° |
| C1 | C4 | C11 | H19 | 114.9° | 119.9° |
| C1 | C4 | C11 | C13 | 50.3° | 60.7° |
| C4 | C1 | O1 | H1 | 59.2° | 60.0° |
| C1 | C4 | O2 | H2 | 180.0° | 180.0° |
| C1 | C4 | C11 | H4 | 170.9° | 59.5° |
| C1 | C4 | C11 | H5 | 70.2° | 179.2° |
| C8 | C13 | C11 | C4 | 49.1° | 58.7° |
| C8 | C13 | C11 | C15 | 126.8° | 118.3° |
| C8 | C13 | C11 | H8 | 117.0° | 121.8° |
| C8 | C13 | C15 | H8 | 116.4° | 120.9° |
| C8 | C13 | C15 | C17 | 54.5° | 49.2° |
| C8 | C13 | C15 | C18 | 67.1° | 71.1° |
| C8 | C13 | C11 | H4 | 169.6° | 61.4° |
| C8 | C13 | C11 | H5 | 71.5° | 178.8° |
| C13 | C8 | C14 | H9 | 141.3° | 71.0° |
| C13 | C8 | C14 | H10 | 100.8° | 169.5° |
| C8 | C13 | C15 | H11 | 171.9° | 169.5° |
| C16 | C17 | C15 | C13 | 30.5° | 17.0° |
| C16 | C17 | C15 | C19 | 179.9° | 179.9° |
| C16 | C17 | C15 | C18 | 97.7° | 103.2° |
| C16 | C17 | C19 | C20 | 173.8° | 180.0° |
| C17 | C16 | C14 | H9 | 116.4° | 103.1° |
| C17 | C16 | C14 | H10 | 125.7° | 137.4° |
| C16 | C17 | C15 | H11 | 147.6° | 137.4° |
| C16 | C17 | C19 | H16 | 6.2° | 0.0° |
| O2 | C4 | C11 | H19 | 113.4° | 120.3° |
| O2 | C4 | C11 | C13 | 81.4° | 59.2° |
| O2 | C4 | C11 | H4 | 39.2° | 179.3° |
| O2 | C4 | C11 | H5 | 158.1° | 61.0° |
| C4 | C11 | C13 | H4 | 120.6° | 120.1° |
| C4 | C11 | C13 | H5 | 120.5° | 120.1° |
| C4 | C11 | C13 | C15 | 175.9° | 177.0° |
| C11 | C4 | O2 | H2 | 51.7° | 60.6° |
| C4 | C11 | H4 | H5 | 118.4° | 119.6° |
| C4 | C11 | C13 | H8 | 67.9° | 63.0° |
| C11 | C13 | C15 | H8 | 116.3° | 120.0° |
| C11 | C13 | C15 | C17 | 178.2° | 168.2° |
| C11 | C13 | C15 | C18 | 60.2° | 48.0° |
| C13 | C11 | H4 | H5 | 118.3° | 119.8° |
| C11 | C13 | C15 | H11 | 60.8° | 71.5° |
| C13 | C11 | C4 | H19 | 165.2° | 179.4° |
| C11 | C13 | C8 | H25 | 61.9° | 64.1° |
| C13 | C15 | C17 | C18 | 128.2° | 120.2° |
| C13 | C15 | C17 | H11 | 117.1° | 120.3° |
| C13 | C15 | C17 | C19 | 149.4° | 162.9° |
| C13 | C15 | C18 | H11 | 121.0° | 119.5° |
| C15 | C13 | C11 | H4 | 63.6° | 56.8° |
| C15 | C13 | C11 | H5 | 55.3° | 62.9° |
| C13 | C15 | C18 | H13 | 180.0° | 60.0° |
| C13 | C15 | C18 | H14 | 60.0° | 180.0° |
| C13 | C15 | C18 | H15 | 60.0° | 60.0° |
| C15 | C13 | C8 | H25 | 64.6° | 53.8° |
| C17 | C15 | C18 | H11 | 115.0° | 119.4° |
| C15 | C17 | C19 | C20 | 6.4° | 0.1° |
| C17 | C15 | C13 | H8 | 61.9° | 71.8° |
| C15 | C17 | C16 | H12 | 179.1° | 179.4° |
| C17 | C15 | C18 | H13 | 56.0° | 61.2° |
| C17 | C15 | C18 | H14 | 176.0° | 58.9° |
| C17 | C15 | C18 | H15 | 64.0° | 178.8° |
| C15 | C17 | C19 | H16 | 173.7° | 179.9° |
| C19 | C17 | C15 | C18 | 82.4° | 76.9° |
| C17 | C19 | C20 | H16 | 180.0° | 180.0° |
| C19 | C17 | C15 | H11 | 32.3° | 42.5° |
| C19 | C17 | C16 | H12 | 1.0° | 0.7° |
| C17 | C19 | C20 | H17 | 180.0° | 180.0° |
| C17 | C19 | C20 | H18 | 0.0° | 0.0° |
| C18 | C15 | C13 | H8 | 176.5° | 168.0° |
| C15 | C18 | H13 | H14 | 120.0° | 120.1° |
| C15 | C18 | H13 | H15 | 120.0° | 120.0° |
| C15 | C18 | H14 | H15 | 120.0° | 120.0° |
| C19 | C20 | H17 | H18 | 180.0° | 179.9° |
| H2 | O2 | C4 | H19 | 60.6° | 59.7° |
| H4 | C11 | C13 | H8 | 52.6° | 176.8° |
| H4 | C11 | C4 | H19 | 74.3° | 60.4° |
| H5 | C11 | C13 | H8 | 171.5° | 57.1° |
| H5 | C11 | C4 | H19 | 44.7° | 59.3° |
| H6 | C12 | C5 | H20 | 71.5° | 59.9° |
| H6 | C12 | C5 | H21 | 46.8° | 60.1° |
| H6 | C12 | C9 | H26 | 48.6° | 60.1° |
| H6 | C12 | C9 | H27 | 69.6° | 59.8° |
| H7 | C12 | C5 | H20 | 47.3° | 180.0° |
| H7 | C12 | C5 | H21 | 165.6° | 60.0° |
| H7 | C12 | C9 | H26 | 167.5° | 60.0° |
| H7 | C12 | C9 | H27 | 49.2° | 179.9° |
| H8 | C13 | C15 | H11 | 55.5° | 48.6° |
| H8 | C13 | C8 | H25 | 179.0° | 174.4° |
| H9 | C14 | C16 | H12 | 63.6° | 76.9° |
| H9 | C14 | C8 | H25 | 27.2° | 168.2° |
| H10 | C14 | C16 | H12 | 54.3° | 42.6° |
| H10 | C14 | C8 | H25 | 145.2° | 48.6° |
| H11 | C15 | C18 | H13 | 59.0° | 179.4° |
| H11 | C15 | C18 | H14 | 61.0° | 60.5° |
| H11 | C15 | C18 | H15 | 179.0° | 59.4° |
| H13 | C18 | H14 | H15 | 120.0° | 120.0° |
| H16 | C19 | C20 | H17 | 0.0° | 0.0° |
| H16 | C19 | C20 | H18 | 180.0° | 179.9° |
| H22 | C7 | H23 | H24 | 120.0° | 120.0° |
| H28 | C10 | H29 | H30 | 120.0° | 120.0° |
