XXT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C16 | sing | 1.51Å | 1.50Å | |
| O5 | C16 | doub | 1.21Å | 1.22Å | |
| C16 | O4 | sing | 1.34Å | 1.47Å | |
| O4 | C1 | sing | 1.45Å | 1.44Å | |
| C13 | C10 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.55Å | 1.52Å | |
| C1 | C5 | sing | 1.52Å | 1.54Å | |
| C10 | C5 | sing | 1.50Å | 1.54Å | |
| C10 | C9 | sing | 1.55Å | 1.53Å | |
| C2 | C3 | sing | 1.55Å | 1.52Å | |
| C5 | C4 | sing | 1.56Å | 1.55Å | |
| O7 | C18 | doub | 1.21Å | 1.23Å | |
| C9 | C8 | sing | 1.51Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | O2 | sing | 1.43Å | 1.43Å | |
| C18 | C19 | sing | 1.51Å | 1.50Å | |
| C18 | O6 | sing | 1.34Å | 1.48Å | |
| C4 | C15 | sing | 1.53Å | 1.54Å | |
| C4 | C6 | sing | 1.50Å | 1.56Å | |
| C8 | O1 | sing | 1.45Å | 1.43Å | |
| C8 | C7 | sing | 1.55Å | 1.54Å | |
| O1 | C12 | sing | 1.35Å | 1.45Å | |
| C7 | C6 | sing | 1.53Å | 1.55Å | |
| C7 | C11 | sing | 1.51Å | 1.54Å | |
| O6 | C6 | sing | 1.45Å | 1.46Å | |
| C12 | C11 | sing | 1.48Å | 1.50Å | |
| C12 | O3 | doub | 1.21Å | 1.23Å | |
| C11 | C14 | doub | 1.33Å | 1.53Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| O2 | H13 | sing | 0.97Å | 0.95Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C14 | H17 | sing | 1.08Å | 1.08Å | |
| C8 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.09Å | 1.10Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C10 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C16 | O5 | 121.0° | 120.0° |
| C17 | C16 | O4 | 119.6° | 120.0° |
| C16 | C17 | H26 | 109.5° | 109.5° |
| C16 | C17 | H27 | 109.5° | 109.5° |
| C16 | C17 | H28 | 109.5° | 109.5° |
| O5 | C16 | O4 | 119.4° | 120.0° |
| C16 | O4 | C1 | 117.2° | 117.0° |
| O4 | C1 | C2 | 111.6° | 110.3° |
| O4 | C1 | C5 | 109.5° | 110.3° |
| O4 | C1 | H3 | 110.4° | 110.3° |
| C13 | C10 | C5 | 114.2° | 109.7° |
| C13 | C10 | C9 | 109.2° | 109.7° |
| C13 | C10 | H22 | 108.1° | 109.7° |
| C10 | C13 | H23 | 109.5° | 109.5° |
| C10 | C13 | H24 | 109.5° | 109.5° |
| C10 | C13 | H25 | 109.5° | 109.4° |
| C2 | C1 | C5 | 107.1° | 105.3° |
| C1 | C2 | C3 | 105.8° | 106.5° |
| C1 | C2 | H1 | 110.4° | 110.0° |
| C1 | C2 | H2 | 110.4° | 110.0° |
| C2 | C1 | H3 | 109.1° | 110.3° |
| C1 | C5 | C10 | 113.7° | 119.1° |
| C1 | C5 | C4 | 106.9° | 103.8° |
| C5 | C1 | H3 | 109.0° | 110.3° |
| C1 | C5 | H5 | 106.2° | 106.5° |
| C5 | C10 | C9 | 109.0° | 108.2° |
| C10 | C5 | C4 | 117.1° | 114.1° |
| C10 | C5 | H5 | 106.2° | 106.2° |
| C5 | C10 | H22 | 108.0° | 109.7° |
| C10 | C9 | C8 | 111.8° | 111.3° |
| C10 | C9 | H20 | 108.9° | 109.1° |
| C10 | C9 | H21 | 108.8° | 109.1° |
| C9 | C10 | H22 | 108.2° | 109.7° |
| C2 | C3 | C4 | 107.0° | 103.3° |
| C2 | C3 | O2 | 109.8° | 110.6° |
| C3 | C2 | H1 | 110.4° | 110.1° |
| C3 | C2 | H2 | 110.4° | 110.1° |
| C2 | C3 | H6 | 108.0° | 110.7° |
| C5 | C4 | C3 | 101.8° | 101.2° |
| C5 | C4 | C15 | 110.6° | 109.9° |
| C5 | C4 | C6 | 116.7° | 108.1° |
| C4 | C5 | H5 | 106.1° | 106.3° |
| O7 | C18 | C19 | 120.0° | 120.0° |
| O7 | C18 | O6 | 122.1° | 120.1° |
| C9 | C8 | O1 | 108.6° | 114.3° |
| C9 | C8 | C7 | 115.0° | 109.9° |
| C9 | C8 | H19 | 108.5° | 109.2° |
| C8 | C9 | H20 | 108.9° | 109.1° |
| C8 | C9 | H21 | 108.9° | 109.1° |
| C4 | C3 | O2 | 114.9° | 110.6° |
| C3 | C4 | C15 | 106.6° | 109.9° |
| C3 | C4 | C6 | 112.1° | 116.9° |
| C4 | C3 | H6 | 107.7° | 110.7° |
| O2 | C3 | H6 | 109.1° | 110.7° |
| C3 | O2 | H13 | 109.5° | 114.0° |
| C19 | C18 | O6 | 117.9° | 120.0° |
| C18 | C19 | H7 | 109.5° | 109.5° |
| C18 | C19 | H8 | 109.5° | 109.5° |
| C18 | C19 | H9 | 109.5° | 109.5° |
| C18 | O6 | C6 | 123.3° | 117.0° |
| C15 | C4 | C6 | 108.5° | 110.3° |
| C4 | C15 | H10 | 109.5° | 109.5° |
| C4 | C15 | H11 | 109.5° | 109.5° |
| C4 | C15 | H12 | 109.5° | 109.5° |
| C4 | C6 | C7 | 118.8° | 108.5° |
| C4 | C6 | O6 | 110.6° | 109.6° |
| C4 | C6 | H4 | 105.2° | 109.6° |
| O1 | C8 | C7 | 106.4° | 104.0° |
| C8 | O1 | C12 | 106.5° | 108.1° |
| O1 | C8 | H19 | 109.8° | 109.7° |
| C8 | C7 | C6 | 117.8° | 104.3° |
| C8 | C7 | C11 | 103.0° | 102.2° |
| C8 | C7 | H14 | 107.3° | 113.1° |
| C7 | C8 | H19 | 108.4° | 109.6° |
| O1 | C12 | C11 | 111.5° | 110.0° |
| O1 | C12 | O3 | 122.0° | 125.0° |
| C6 | C7 | C11 | 113.7° | 112.1° |
| C7 | C6 | O6 | 109.6° | 109.8° |
| C7 | C6 | H4 | 105.4° | 109.6° |
| C6 | C7 | H14 | 107.2° | 112.2° |
| C7 | C11 | C12 | 99.9° | 105.8° |
| C7 | C11 | C14 | 117.2° | 127.1° |
| C11 | C7 | H14 | 107.3° | 112.2° |
| O6 | C6 | H4 | 106.4° | 109.6° |
| C11 | C12 | O3 | 126.5° | 125.0° |
| C12 | C11 | C14 | 112.2° | 127.1° |
| C11 | C14 | H16 | 120.0° | 120.0° |
| C11 | C14 | H17 | 120.0° | 120.0° |
| H1 | C2 | H2 | 109.5° | 110.1° |
| H7 | C19 | H8 | 109.5° | 109.5° |
| H7 | C19 | H9 | 109.5° | 109.4° |
| H8 | C19 | H9 | 109.4° | 109.5° |
| H10 | C15 | H11 | 109.5° | 109.4° |
| H10 | C15 | H12 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.5° | 109.4° |
| H16 | C14 | H17 | 120.0° | 120.0° |
| H20 | C9 | H21 | 109.5° | 109.1° |
| H23 | C13 | H24 | 109.5° | 109.5° |
| H23 | C13 | H25 | 109.5° | 109.4° |
| H24 | C13 | H25 | 109.4° | 109.5° |
| H26 | C17 | H27 | 109.5° | 109.5° |
| H26 | C17 | H28 | 109.5° | 109.5° |
| H27 | C17 | H28 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C16 | O5 | O4 | 179.5° | 180.0° |
| C17 | C16 | O4 | C1 | 137.3° | 180.0° |
| C16 | C17 | H26 | H27 | 120.0° | 120.0° |
| C16 | C17 | H26 | H28 | 120.0° | 120.0° |
| C16 | C17 | H27 | H28 | 120.0° | 120.0° |
| O5 | C16 | O4 | C1 | 43.2° | 0.0° |
| O5 | C16 | C17 | H26 | 0.0° | 180.0° |
| O5 | C16 | C17 | H27 | 120.0° | 60.0° |
| O5 | C16 | C17 | H28 | 120.0° | 60.0° |
| C16 | O4 | C1 | C2 | 66.9° | 91.4° |
| C16 | O4 | C1 | C5 | 174.6° | 152.6° |
| C16 | O4 | C1 | H3 | 54.6° | 30.6° |
| O4 | C16 | C17 | H26 | 179.5° | 0.0° |
| O4 | C16 | C17 | H27 | 59.5° | 120.0° |
| O4 | C16 | C17 | H28 | 60.5° | 120.0° |
| O4 | C1 | C2 | C5 | 119.9° | 119.0° |
| O4 | C1 | C2 | H3 | 122.3° | 122.0° |
| O4 | C1 | C5 | H3 | 120.8° | 122.1° |
| O4 | C1 | C5 | C10 | 93.9° | 84.2° |
| O4 | C1 | C2 | C3 | 112.6° | 122.0° |
| O4 | C1 | C5 | C4 | 135.3° | 147.6° |
| O4 | C1 | C2 | H1 | 128.0° | 118.7° |
| O4 | C1 | C2 | H2 | 6.8° | 2.7° |
| O4 | C1 | C5 | H5 | 22.4° | 35.7° |
| C13 | C10 | C5 | C1 | 32.0° | 18.0° |
| C13 | C10 | C5 | C9 | 122.4° | 119.7° |
| C13 | C10 | C5 | H22 | 120.3° | 120.6° |
| C13 | C10 | C9 | H22 | 117.4° | 120.6° |
| C13 | C10 | C5 | C4 | 157.5° | 141.2° |
| C13 | C10 | C9 | C8 | 165.2° | 175.7° |
| C13 | C10 | C5 | H5 | 84.4° | 102.0° |
| C13 | C10 | C9 | H20 | 74.4° | 55.2° |
| C13 | C10 | C9 | H21 | 44.9° | 63.9° |
| C10 | C13 | H23 | H24 | 120.0° | 120.1° |
| C10 | C13 | H23 | H25 | 120.0° | 119.9° |
| C10 | C13 | H24 | H25 | 120.0° | 120.0° |
| C2 | C1 | C5 | H3 | 118.0° | 119.0° |
| C2 | C1 | C5 | C10 | 144.9° | 156.8° |
| C1 | C2 | C3 | H1 | 119.4° | 119.2° |
| C1 | C2 | C3 | H2 | 119.4° | 119.3° |
| C2 | C1 | C5 | C4 | 14.1° | 28.6° |
| C1 | C2 | C3 | C4 | 26.2° | 24.3° |
| C1 | C2 | C3 | O2 | 151.6° | 142.7° |
| C1 | C2 | H1 | H2 | 121.7° | 121.4° |
| C2 | C1 | C5 | H5 | 98.8° | 83.3° |
| C1 | C2 | C3 | H6 | 89.5° | 94.2° |
| C1 | C5 | C10 | C4 | 125.5° | 123.2° |
| C1 | C5 | C10 | H5 | 116.4° | 120.1° |
| C1 | C5 | C10 | C9 | 154.4° | 137.8° |
| C5 | C1 | C2 | C3 | 7.3° | 3.0° |
| C1 | C5 | C4 | H5 | 113.0° | 112.1° |
| C1 | C5 | C4 | C3 | 29.1° | 43.8° |
| C1 | C5 | C4 | C15 | 83.9° | 72.5° |
| C1 | C5 | C4 | C6 | 151.4° | 167.1° |
| C5 | C1 | C2 | H1 | 112.2° | 122.3° |
| C5 | C1 | C2 | H2 | 126.7° | 116.3° |
| C1 | C5 | C10 | H22 | 88.3° | 102.5° |
| C5 | C10 | C9 | H22 | 117.2° | 119.7° |
| C10 | C5 | C4 | H5 | 118.2° | 116.7° |
| C5 | C10 | C9 | C8 | 69.4° | 64.6° |
| C10 | C5 | C4 | C3 | 157.9° | 174.9° |
| C10 | C5 | C4 | C15 | 45.0° | 58.7° |
| C10 | C5 | C4 | C6 | 79.8° | 61.7° |
| C10 | C5 | C1 | H3 | 26.9° | 37.8° |
| C5 | C10 | C9 | H20 | 51.0° | 174.9° |
| C5 | C10 | C9 | H21 | 170.2° | 55.8° |
| C5 | C10 | C13 | H23 | 180.0° | 59.9° |
| C5 | C10 | C13 | H24 | 60.0° | 180.0° |
| C5 | C10 | C13 | H25 | 60.0° | 60.0° |
| C9 | C10 | C5 | C4 | 80.1° | 99.0° |
| C10 | C9 | C8 | H20 | 120.4° | 120.5° |
| C10 | C9 | C8 | H21 | 120.3° | 120.4° |
| C10 | C9 | C8 | O1 | 158.7° | 174.7° |
| C10 | C9 | C8 | C7 | 82.2° | 58.3° |
| C9 | C10 | C5 | H5 | 38.0° | 17.7° |
| C10 | C9 | C8 | H19 | 39.4° | 62.0° |
| C10 | C9 | H20 | H21 | 118.9° | 119.1° |
| C9 | C10 | C13 | H23 | 57.7° | 178.7° |
| C9 | C10 | C13 | H24 | 62.3° | 61.2° |
| C9 | C10 | C13 | H25 | 177.7° | 58.8° |
| C2 | C3 | C4 | C5 | 34.1° | 41.1° |
| C2 | C3 | C4 | O2 | 122.2° | 118.4° |
| C2 | C3 | C4 | H6 | 116.0° | 118.5° |
| C2 | C3 | O2 | H6 | 118.2° | 123.1° |
| C2 | C3 | C4 | C15 | 81.9° | 75.1° |
| C2 | C3 | C4 | C6 | 159.5° | 158.2° |
| C3 | C2 | H1 | H2 | 121.7° | 121.5° |
| C3 | C2 | C1 | H3 | 125.1° | 116.0° |
| C2 | C3 | O2 | H13 | 180.0° | 61.4° |
| C5 | C4 | C3 | C15 | 115.9° | 116.2° |
| C5 | C4 | C3 | C6 | 125.4° | 117.1° |
| C5 | C4 | C3 | O2 | 156.3° | 159.6° |
| C5 | C4 | C15 | C6 | 129.2° | 119.1° |
| C5 | C4 | C6 | C7 | 31.8° | 28.2° |
| C5 | C4 | C6 | O6 | 96.2° | 148.1° |
| C4 | C5 | C1 | H3 | 103.8° | 90.3° |
| C5 | C4 | C6 | H4 | 149.3° | 91.5° |
| C5 | C4 | C3 | H6 | 81.9° | 77.4° |
| C5 | C4 | C15 | H10 | 180.0° | 60.0° |
| C5 | C4 | C15 | H11 | 60.0° | 180.0° |
| C5 | C4 | C15 | H12 | 60.0° | 60.0° |
| C4 | C5 | C10 | H22 | 37.2° | 20.7° |
| O7 | C18 | C19 | O6 | 179.2° | 180.0° |
| O7 | C18 | O6 | C6 | 34.1° | 0.0° |
| O7 | C18 | C19 | H7 | 0.0° | 0.1° |
| O7 | C18 | C19 | H8 | 120.0° | 120.0° |
| O7 | C18 | C19 | H9 | 120.0° | 120.0° |
| C9 | C8 | O1 | C7 | 124.4° | 119.8° |
| C9 | C8 | O1 | H19 | 118.5° | 123.1° |
| C9 | C8 | C7 | H19 | 121.7° | 120.0° |
| C9 | C8 | O1 | C12 | 143.3° | 152.2° |
| C9 | C8 | C7 | C6 | 79.9° | 93.7° |
| C9 | C8 | C7 | C11 | 154.1° | 149.3° |
| C9 | C8 | C7 | H14 | 41.1° | 28.5° |
| C8 | C9 | H20 | H21 | 118.9° | 119.1° |
| C8 | C9 | C10 | H22 | 47.8° | 55.1° |
| C4 | C3 | O2 | H6 | 121.1° | 123.1° |
| C3 | C4 | C15 | C6 | 120.9° | 130.3° |
| C3 | C4 | C6 | C7 | 148.6° | 85.0° |
| C3 | C4 | C6 | O6 | 20.6° | 34.9° |
| C4 | C3 | C2 | H1 | 93.2° | 95.0° |
| C4 | C3 | C2 | H2 | 145.6° | 143.5° |
| C3 | C4 | C6 | H4 | 93.9° | 155.3° |
| C3 | C4 | C5 | H5 | 83.8° | 68.3° |
| C3 | C4 | C15 | H10 | 70.2° | 50.6° |
| C3 | C4 | C15 | H11 | 169.8° | 69.4° |
| C3 | C4 | C15 | H12 | 49.8° | 170.6° |
| C4 | C3 | O2 | H13 | 59.4° | 175.3° |
| O2 | C3 | C4 | C15 | 40.3° | 43.4° |
| O2 | C3 | C4 | C6 | 78.3° | 83.4° |
| O2 | C3 | C2 | H1 | 32.1° | 23.5° |
| O2 | C3 | C2 | H2 | 89.0° | 98.0° |
| C19 | C18 | O6 | C6 | 146.8° | 180.0° |
| C18 | C19 | H7 | H8 | 120.0° | 120.0° |
| C18 | C19 | H7 | H9 | 120.0° | 120.0° |
| C18 | C19 | H8 | H9 | 120.0° | 120.0° |
| C18 | O6 | C6 | C4 | 86.2° | 150.4° |
| C18 | O6 | C6 | C7 | 46.6° | 90.5° |
| C18 | O6 | C6 | H4 | 160.0° | 30.0° |
| O6 | C18 | C19 | H7 | 179.2° | 180.0° |
| O6 | C18 | C19 | H8 | 60.8° | 60.0° |
| O6 | C18 | C19 | H9 | 59.2° | 60.0° |
| C15 | C4 | C6 | C7 | 94.0° | 148.4° |
| C15 | C4 | C6 | O6 | 138.1° | 91.7° |
| C15 | C4 | C6 | H4 | 23.6° | 28.7° |
| C15 | C4 | C5 | H5 | 163.2° | 175.5° |
| C15 | C4 | C3 | H6 | 162.2° | 166.4° |
| C4 | C15 | H10 | H11 | 120.0° | 120.0° |
| C4 | C15 | H10 | H12 | 120.0° | 120.0° |
| C4 | C15 | H11 | H12 | 120.0° | 120.0° |
| C4 | C6 | C7 | C8 | 31.9° | 100.1° |
| C4 | C6 | C7 | O6 | 128.5° | 119.8° |
| C4 | C6 | C7 | H4 | 117.5° | 119.7° |
| C4 | C6 | C7 | C11 | 152.5° | 150.0° |
| C4 | C6 | O6 | H4 | 113.7° | 120.4° |
| C6 | C4 | C5 | H5 | 38.5° | 55.0° |
| C6 | C4 | C3 | H6 | 43.6° | 39.7° |
| C6 | C4 | C15 | H10 | 50.8° | 179.1° |
| C6 | C4 | C15 | H11 | 69.3° | 60.9° |
| C6 | C4 | C15 | H12 | 170.8° | 59.1° |
| C4 | C6 | C7 | H14 | 89.1° | 22.7° |
| O1 | C8 | C7 | H19 | 118.1° | 117.2° |
| O1 | C8 | C7 | C6 | 159.9° | 143.5° |
| O1 | C8 | C7 | C11 | 33.9° | 26.6° |
| C8 | O1 | C12 | C11 | 3.7° | 25.0° |
| C8 | O1 | C12 | O3 | 174.8° | 155.0° |
| O1 | C8 | C7 | H14 | 79.2° | 94.2° |
| O1 | C8 | C9 | H20 | 80.9° | 64.8° |
| O1 | C8 | C9 | H21 | 38.4° | 54.3° |
| C7 | C8 | O1 | C12 | 18.9° | 32.4° |
| C8 | C7 | C6 | C11 | 120.7° | 109.8° |
| C8 | C7 | C6 | H14 | 121.0° | 122.8° |
| C8 | C7 | C11 | H14 | 113.0° | 121.5° |
| C8 | C7 | C6 | O6 | 160.3° | 140.0° |
| C8 | C7 | C11 | C12 | 33.5° | 12.7° |
| C8 | C7 | C11 | C14 | 154.9° | 167.3° |
| C8 | C7 | C6 | H4 | 85.6° | 19.6° |
| C7 | C8 | C9 | H20 | 38.2° | 178.8° |
| C7 | C8 | C9 | H21 | 157.5° | 62.1° |
| O1 | C12 | C11 | C7 | 24.0° | 6.6° |
| O1 | C12 | C11 | O3 | 178.3° | 180.0° |
| O1 | C12 | C11 | C14 | 148.9° | 173.4° |
| C12 | O1 | C8 | H19 | 98.2° | 84.7° |
| C6 | C7 | C11 | H14 | 118.3° | 127.4° |
| C7 | C6 | O6 | H4 | 113.4° | 120.5° |
| C6 | C7 | C11 | C12 | 162.2° | 123.9° |
| C6 | C7 | C11 | C14 | 76.4° | 56.1° |
| C6 | C7 | C8 | H19 | 41.8° | 26.3° |
| C11 | C7 | C6 | O6 | 79.0° | 30.2° |
| C7 | C11 | C12 | C14 | 124.9° | 180.0° |
| C7 | C11 | C12 | O3 | 154.3° | 173.4° |
| C11 | C7 | C6 | H4 | 35.0° | 90.3° |
| C7 | C11 | C14 | H16 | 114.7° | 0.1° |
| C7 | C11 | C14 | H17 | 65.3° | 180.0° |
| C11 | C7 | C8 | H19 | 84.2° | 90.6° |
| O6 | C6 | C7 | H14 | 39.3° | 97.2° |
| C12 | C11 | C7 | H14 | 79.5° | 108.7° |
| C12 | C11 | C14 | H16 | 0.0° | 179.9° |
| C12 | C11 | C14 | H17 | 180.0° | 0.0° |
| O3 | C12 | C11 | C14 | 29.4° | 6.6° |
| C14 | C11 | C7 | H14 | 41.9° | 71.2° |
| C11 | C14 | H16 | H17 | 180.0° | 179.9° |
| H1 | C2 | C1 | H3 | 5.7° | 3.3° |
| H1 | C2 | C3 | H6 | 151.1° | 146.5° |
| H2 | C2 | C1 | H3 | 115.5° | 124.7° |
| H2 | C2 | C3 | H6 | 29.9° | 25.0° |
| H3 | C1 | C5 | H5 | 143.3° | 157.8° |
| H4 | C6 | C7 | H14 | 153.4° | 142.4° |
| H5 | C5 | C10 | H22 | 155.3° | 137.4° |
| H6 | C3 | O2 | H13 | 61.7° | 61.6° |
| H7 | C19 | H8 | H9 | 120.0° | 119.9° |
| H10 | C15 | H11 | H12 | 120.0° | 120.0° |
| H14 | C7 | C8 | H19 | 162.8° | 148.5° |
| H19 | C8 | C9 | H20 | 159.8° | 58.5° |
| H19 | C8 | C9 | H21 | 80.9° | 177.6° |
| H20 | C9 | C10 | H22 | 168.2° | 65.4° |
| H21 | C9 | C10 | H22 | 72.6° | 175.5° |
| H22 | C10 | C13 | H23 | 59.7° | 60.7° |
| H22 | C10 | C13 | H24 | 179.8° | 59.4° |
| H22 | C10 | C13 | H25 | 60.3° | 179.4° |
| H23 | C13 | H24 | H25 | 120.0° | 120.0° |
| H26 | C17 | H27 | H28 | 120.0° | 120.0° |
