XBI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C17 | doub | 1.21Å | 1.23Å | |
| C17 | N | sing | 1.34Å | 1.37Å | |
| C17 | C16 | sing | 1.51Å | 1.51Å | |
| N | C18 | sing | 1.34Å | 1.37Å | |
| C18 | O1 | doub | 1.21Å | 1.23Å | |
| C18 | C15 | sing | 1.51Å | 1.52Å | |
| C16 | C15 | sing | 1.54Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.54Å | |
| O3 | C14 | sing | 1.43Å | 1.43Å | |
| C14 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C6 | sing | 1.53Å | 1.54Å | |
| C20 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C6 | C5 | sing | 1.54Å | 1.56Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C5 | C19 | sing | 1.53Å | 1.54Å | |
| C5 | C10 | sing | 1.52Å | 1.59Å | |
| C12 | C7 | doub | 1.31Å | 1.32Å | |
| C7 | C8 | sing | 1.51Å | 1.51Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C10 | C1 | sing | 1.52Å | 1.52Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | C9 | sing | 1.54Å | 1.52Å | |
| C8 | O | sing | 1.43Å | 1.43Å | |
| C1 | C21 | sing | 1.55Å | 1.53Å | |
| C1 | C | sing | 1.53Å | 1.51Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| N | H25 | sing | 0.97Å | 1.00Å | |
| C | H26 | sing | 1.09Å | 1.10Å | |
| C | H27 | sing | 1.09Å | 1.10Å | |
| C | H28 | sing | 1.09Å | 1.10Å | |
| O | H29 | sing | 0.97Å | 0.95Å | |
| C10 | H30 | sing | 1.12Å | 1.10Å | |
| C14 | H31 | sing | 1.09Å | 1.10Å | |
| C15 | H32 | sing | 1.09Å | 1.10Å | |
| O3 | H33 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C17 | N | 125.1° | 125.4° |
| O2 | C17 | C16 | 126.7° | 125.4° |
| N | C17 | C16 | 108.2° | 109.2° |
| C17 | N | C18 | 114.1° | 114.5° |
| C17 | N | H25 | 123.0° | 122.8° |
| C17 | C16 | C15 | 104.7° | 103.6° |
| C17 | C16 | H14 | 110.7° | 110.6° |
| C17 | C16 | H15 | 110.7° | 110.7° |
| N | C18 | O1 | 125.0° | 125.3° |
| N | C18 | C15 | 108.0° | 109.2° |
| C18 | N | H25 | 123.0° | 122.8° |
| O1 | C18 | C15 | 127.0° | 125.4° |
| C18 | C15 | C16 | 104.3° | 103.5° |
| C18 | C15 | C14 | 112.2° | 110.6° |
| C18 | C15 | H32 | 107.9° | 110.7° |
| C16 | C15 | C14 | 116.7° | 110.6° |
| C15 | C16 | H14 | 110.6° | 110.6° |
| C15 | C16 | H15 | 110.6° | 110.6° |
| C16 | C15 | H32 | 107.7° | 110.6° |
| C15 | C14 | O3 | 110.0° | 109.5° |
| C15 | C14 | C13 | 113.5° | 109.5° |
| C15 | C14 | H31 | 107.6° | 109.5° |
| C14 | C15 | H32 | 107.6° | 110.7° |
| O3 | C14 | C13 | 108.8° | 109.5° |
| O3 | C14 | H31 | 109.0° | 109.5° |
| C14 | O3 | H33 | 109.5° | 114.0° |
| C14 | C13 | C6 | 114.6° | 109.5° |
| C14 | C13 | H12 | 108.2° | 109.5° |
| C14 | C13 | H13 | 108.2° | 109.4° |
| C13 | C14 | H31 | 107.8° | 109.4° |
| C13 | C6 | C5 | 114.0° | 109.6° |
| C13 | C6 | C7 | 112.0° | 109.1° |
| C13 | C6 | H6 | 106.0° | 110.0° |
| C6 | C13 | H12 | 108.2° | 109.5° |
| C6 | C13 | H13 | 108.2° | 109.5° |
| C20 | C3 | C4 | 111.3° | 108.9° |
| C20 | C3 | C2 | 110.8° | 109.2° |
| C20 | C3 | H3 | 108.2° | 108.6° |
| C3 | C20 | H19 | 109.5° | 109.5° |
| C3 | C20 | H20 | 109.5° | 109.5° |
| C3 | C20 | H21 | 109.5° | 109.5° |
| C3 | C4 | C5 | 112.9° | 110.2° |
| C4 | C3 | C2 | 110.0° | 109.2° |
| C4 | C3 | H3 | 108.2° | 110.4° |
| C3 | C4 | H4 | 108.6° | 109.3° |
| C3 | C4 | H5 | 108.6° | 108.7° |
| C4 | C5 | C6 | 111.6° | 108.0° |
| C4 | C5 | C19 | 108.4° | 109.6° |
| C4 | C5 | C10 | 107.7° | 110.7° |
| C5 | C4 | H4 | 108.6° | 109.4° |
| C5 | C4 | H5 | 108.6° | 110.1° |
| C5 | C6 | C7 | 112.1° | 108.7° |
| C6 | C5 | C19 | 108.9° | 107.9° |
| C6 | C5 | C10 | 108.4° | 107.9° |
| C5 | C6 | H6 | 105.9° | 109.3° |
| C6 | C7 | C12 | 123.1° | 120.4° |
| C6 | C7 | C8 | 115.7° | 119.1° |
| C7 | C6 | H6 | 106.3° | 110.0° |
| C3 | C2 | C1 | 109.4° | 111.2° |
| C3 | C2 | H1 | 109.5° | 109.4° |
| C3 | C2 | H2 | 109.5° | 109.4° |
| C2 | C3 | H3 | 108.2° | 110.5° |
| C19 | C5 | C10 | 111.9° | 112.7° |
| C5 | C19 | H16 | 109.5° | 109.5° |
| C5 | C19 | H17 | 109.5° | 109.5° |
| C5 | C19 | H18 | 109.5° | 109.5° |
| C5 | C10 | C1 | 109.1° | 115.6° |
| C5 | C10 | C9 | 108.8° | 110.8° |
| C5 | C10 | H30 | 108.5° | 106.0° |
| C12 | C7 | C8 | 121.2° | 120.5° |
| C7 | C12 | H10 | 120.0° | 120.0° |
| C7 | C12 | H11 | 120.0° | 120.0° |
| C7 | C8 | C9 | 113.2° | 108.8° |
| C7 | C8 | O | 113.6° | 109.8° |
| C7 | C8 | H7 | 106.6° | 109.9° |
| C2 | C1 | C10 | 112.7° | 112.0° |
| C2 | C1 | C21 | 101.6° | 106.5° |
| C2 | C1 | C | 115.3° | 109.8° |
| C1 | C2 | H1 | 109.5° | 109.1° |
| C1 | C2 | H2 | 109.5° | 109.1° |
| C1 | C10 | C9 | 111.8° | 111.6° |
| C10 | C1 | C21 | 102.3° | 108.4° |
| C10 | C1 | C | 119.2° | 112.4° |
| C1 | C10 | H30 | 109.4° | 106.4° |
| C10 | C9 | C8 | 112.2° | 108.9° |
| C10 | C9 | H8 | 108.8° | 110.2° |
| C10 | C9 | H9 | 108.8° | 111.9° |
| C9 | C10 | H30 | 109.1° | 105.7° |
| C9 | C8 | O | 109.0° | 109.4° |
| C9 | C8 | H7 | 106.5° | 109.4° |
| C8 | C9 | H8 | 108.8° | 107.9° |
| C8 | C9 | H9 | 108.8° | 109.3° |
| O | C8 | H7 | 107.6° | 109.6° |
| C8 | O | H29 | 109.5° | 114.0° |
| C21 | C1 | C | 102.3° | 107.4° |
| C1 | C21 | H22 | 109.5° | 109.4° |
| C1 | C21 | H23 | 109.5° | 109.4° |
| C1 | C21 | H24 | 109.4° | 109.5° |
| C1 | C | H26 | 109.5° | 109.5° |
| C1 | C | H27 | 109.4° | 109.5° |
| C1 | C | H28 | 109.5° | 109.5° |
| H1 | C2 | H2 | 109.5° | 108.6° |
| H4 | C4 | H5 | 109.5° | 109.2° |
| H8 | C9 | H9 | 109.5° | 108.6° |
| H10 | C12 | H11 | 120.0° | 120.0° |
| H12 | C13 | H13 | 109.4° | 109.5° |
| H14 | C16 | H15 | 109.5° | 110.5° |
| H16 | C19 | H17 | 109.5° | 109.5° |
| H16 | C19 | H18 | 109.5° | 109.5° |
| H17 | C19 | H18 | 109.5° | 109.5° |
| H19 | C20 | H20 | 109.4° | 109.4° |
| H19 | C20 | H21 | 109.5° | 109.6° |
| H20 | C20 | H21 | 109.4° | 109.5° |
| H22 | C21 | H23 | 109.5° | 109.5° |
| H22 | C21 | H24 | 109.5° | 109.5° |
| H23 | C21 | H24 | 109.5° | 109.5° |
| H26 | C | H27 | 109.4° | 109.5° |
| H26 | C | H28 | 109.5° | 109.4° |
| H27 | C | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C17 | N | C16 | 179.2° | 179.9° |
| O2 | C17 | N | C18 | 176.4° | 180.0° |
| O2 | C17 | C16 | C15 | 172.3° | 179.9° |
| O2 | C17 | C16 | H14 | 68.5° | 61.5° |
| O2 | C17 | C16 | H15 | 53.0° | 61.4° |
| O2 | C17 | N | H25 | 3.6° | 0.1° |
| C17 | N | C18 | H25 | 180.0° | 179.9° |
| C17 | N | C18 | O1 | 177.1° | 179.9° |
| C17 | N | C18 | C15 | 2.8° | 0.1° |
| N | C17 | C16 | C15 | 6.9° | 0.0° |
| N | C17 | C16 | H14 | 112.3° | 118.6° |
| N | C17 | C16 | H15 | 126.1° | 118.6° |
| C16 | C17 | N | C18 | 2.7° | 0.1° |
| C17 | C16 | C15 | C18 | 8.1° | 0.0° |
| C17 | C16 | C15 | H14 | 119.2° | 118.6° |
| C17 | C16 | C15 | H15 | 119.3° | 118.6° |
| C17 | C16 | C15 | C14 | 132.5° | 118.5° |
| C17 | C16 | H14 | H15 | 122.2° | 123.0° |
| C16 | C17 | N | H25 | 177.3° | 179.9° |
| C17 | C16 | C15 | H32 | 106.4° | 118.5° |
| N | C18 | O1 | C15 | 179.8° | 179.8° |
| N | C18 | C15 | C16 | 6.9° | 0.1° |
| N | C18 | C15 | C14 | 134.1° | 118.5° |
| N | C18 | C15 | H32 | 107.5° | 118.4° |
| O1 | C18 | C15 | C16 | 173.0° | 179.9° |
| O1 | C18 | C15 | C14 | 45.7° | 61.6° |
| O1 | C18 | N | H25 | 2.9° | 0.2° |
| O1 | C18 | C15 | H32 | 72.7° | 61.4° |
| C18 | C15 | C16 | C14 | 124.4° | 118.5° |
| C18 | C15 | C16 | H32 | 114.5° | 118.5° |
| C18 | C15 | C14 | H32 | 118.6° | 123.0° |
| C18 | C15 | C14 | O3 | 66.1° | 174.1° |
| C18 | C15 | C14 | C13 | 171.7° | 65.9° |
| C18 | C15 | C16 | H14 | 111.1° | 118.5° |
| C18 | C15 | C16 | H15 | 127.4° | 118.7° |
| C15 | C18 | N | H25 | 177.2° | 180.0° |
| C18 | C15 | C14 | H31 | 52.6° | 54.1° |
| C16 | C15 | C14 | H32 | 121.1° | 122.9° |
| C16 | C15 | C14 | O3 | 54.2° | 60.0° |
| C16 | C15 | C14 | C13 | 68.0° | 180.0° |
| C15 | C16 | H14 | H15 | 122.2° | 122.8° |
| C16 | C15 | C14 | H31 | 172.9° | 60.0° |
| C15 | C14 | O3 | C13 | 124.9° | 120.0° |
| C15 | C14 | O3 | H31 | 117.8° | 120.0° |
| C15 | C14 | C13 | H31 | 119.1° | 120.0° |
| C15 | C14 | C13 | C6 | 80.5° | 157.5° |
| C15 | C14 | C13 | H12 | 158.8° | 82.5° |
| C15 | C14 | C13 | H13 | 40.3° | 37.5° |
| C14 | C15 | C16 | H14 | 13.3° | 0.0° |
| C14 | C15 | C16 | H15 | 108.2° | 122.8° |
| C15 | C14 | O3 | H33 | 180.0° | 63.7° |
| O3 | C14 | C13 | H31 | 118.1° | 120.0° |
| O3 | C14 | C13 | C6 | 156.6° | 37.5° |
| O3 | C14 | C13 | H12 | 35.9° | 157.5° |
| O3 | C14 | C13 | H13 | 82.6° | 82.5° |
| O3 | C14 | C15 | H32 | 175.4° | 62.9° |
| C14 | C13 | C6 | H12 | 120.8° | 120.0° |
| C14 | C13 | C6 | H13 | 120.8° | 120.0° |
| C14 | C13 | C6 | C5 | 158.0° | 85.0° |
| C14 | C13 | C6 | C7 | 73.5° | 156.1° |
| C14 | C13 | C6 | H6 | 42.0° | 35.3° |
| C14 | C13 | H12 | H13 | 117.7° | 120.0° |
| C13 | C14 | C15 | H32 | 53.2° | 57.1° |
| C13 | C14 | O3 | H33 | 55.1° | 56.3° |
| C13 | C6 | C5 | C4 | 57.6° | 66.4° |
| C13 | C6 | C5 | C7 | 128.5° | 119.2° |
| C13 | C6 | C5 | H6 | 116.1° | 120.7° |
| C13 | C6 | C7 | H6 | 115.3° | 120.8° |
| C13 | C6 | C5 | C19 | 62.0° | 52.0° |
| C13 | C6 | C5 | C10 | 176.1° | 174.0° |
| C13 | C6 | C7 | C12 | 2.8° | 10.2° |
| C13 | C6 | C7 | C8 | 178.4° | 170.2° |
| C6 | C13 | H12 | H13 | 117.7° | 120.0° |
| C6 | C13 | C14 | H31 | 38.6° | 82.5° |
| C20 | C3 | C4 | C2 | 123.2° | 119.2° |
| C20 | C3 | C4 | H3 | 118.8° | 119.2° |
| C20 | C3 | C4 | C5 | 178.1° | 178.6° |
| C20 | C3 | C2 | H3 | 118.5° | 119.4° |
| C20 | C3 | C2 | C1 | 179.9° | 178.9° |
| C20 | C3 | C2 | H1 | 60.1° | 58.4° |
| C20 | C3 | C2 | H2 | 59.9° | 60.4° |
| C20 | C3 | C4 | H4 | 61.3° | 61.2° |
| C20 | C3 | C4 | H5 | 57.7° | 57.8° |
| C3 | C20 | H19 | H20 | 120.0° | 120.0° |
| C3 | C20 | H19 | H21 | 120.0° | 120.0° |
| C3 | C20 | H20 | H21 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4 | 120.5° | 120.2° |
| C3 | C4 | C5 | H5 | 120.5° | 119.9° |
| C3 | C4 | C5 | C6 | 176.4° | 173.6° |
| C4 | C3 | C2 | H3 | 118.0° | 121.6° |
| C3 | C4 | C5 | C19 | 63.7° | 69.1° |
| C3 | C4 | C5 | C10 | 57.6° | 55.7° |
| C4 | C3 | C2 | C1 | 56.4° | 59.9° |
| C4 | C3 | C2 | H1 | 176.4° | 60.6° |
| C4 | C3 | C2 | H2 | 63.6° | 179.5° |
| C3 | C4 | H4 | H5 | 118.4° | 118.7° |
| C4 | C3 | C20 | H19 | 180.0° | 179.2° |
| C4 | C3 | C20 | H20 | 60.0° | 60.8° |
| C4 | C3 | C20 | H21 | 60.0° | 59.1° |
| C4 | C5 | C6 | C19 | 119.6° | 118.4° |
| C4 | C5 | C6 | C10 | 118.5° | 119.7° |
| C4 | C5 | C6 | C7 | 173.9° | 174.4° |
| C5 | C4 | C3 | C2 | 58.6° | 62.2° |
| C4 | C5 | C19 | C10 | 118.7° | 123.7° |
| C4 | C5 | C10 | C1 | 56.4° | 48.6° |
| C4 | C5 | C10 | C9 | 178.6° | 176.9° |
| C5 | C4 | C3 | H3 | 59.4° | 59.4° |
| C5 | C4 | H4 | H5 | 118.4° | 120.5° |
| C4 | C5 | C6 | H6 | 58.5° | 54.3° |
| C4 | C5 | C19 | H16 | 180.0° | 68.7° |
| C4 | C5 | C19 | H17 | 60.0° | 171.3° |
| C4 | C5 | C19 | H18 | 60.0° | 51.3° |
| C4 | C5 | C10 | H30 | 62.8° | 68.9° |
| C5 | C6 | C7 | H6 | 115.2° | 119.7° |
| C6 | C5 | C19 | C10 | 119.8° | 119.0° |
| C5 | C6 | C7 | C12 | 132.3° | 129.7° |
| C5 | C6 | C7 | C8 | 48.9° | 50.7° |
| C6 | C5 | C10 | C1 | 177.2° | 166.6° |
| C6 | C5 | C10 | C9 | 60.5° | 65.1° |
| C6 | C5 | C4 | H4 | 55.9° | 53.4° |
| C6 | C5 | C4 | H5 | 63.0° | 66.5° |
| C5 | C6 | C13 | H12 | 81.2° | 35.1° |
| C5 | C6 | C13 | H13 | 37.2° | 155.1° |
| C6 | C5 | C19 | H16 | 58.5° | 174.0° |
| C6 | C5 | C19 | H17 | 61.5° | 53.9° |
| C6 | C5 | C19 | H18 | 178.5° | 66.0° |
| C6 | C5 | C10 | H30 | 58.1° | 49.1° |
| C7 | C6 | C5 | C19 | 66.5° | 67.2° |
| C7 | C6 | C5 | C10 | 55.4° | 54.7° |
| C6 | C7 | C12 | C8 | 178.7° | 179.6° |
| C6 | C7 | C8 | C9 | 45.6° | 49.7° |
| C6 | C7 | C8 | O | 170.6° | 169.4° |
| C6 | C7 | C8 | H7 | 71.2° | 70.1° |
| C6 | C7 | C12 | H10 | 178.8° | 5.5° |
| C6 | C7 | C12 | H11 | 1.3° | 174.5° |
| C7 | C6 | C13 | H12 | 47.3° | 83.9° |
| C7 | C6 | C13 | H13 | 165.8° | 36.1° |
| C3 | C2 | C1 | H1 | 120.0° | 120.7° |
| C3 | C2 | C1 | H2 | 120.0° | 120.8° |
| C3 | C2 | C1 | C10 | 59.1° | 51.5° |
| C3 | C2 | C1 | C21 | 167.9° | 169.9° |
| C3 | C2 | C1 | C | 82.3° | 74.1° |
| C3 | C2 | H1 | H2 | 120.0° | 119.4° |
| C2 | C3 | C4 | H4 | 61.9° | 58.0° |
| C2 | C3 | C4 | H5 | 179.1° | 177.0° |
| C2 | C3 | C20 | H19 | 57.3° | 60.0° |
| C2 | C3 | C20 | H20 | 177.3° | 180.0° |
| C2 | C3 | C20 | H21 | 62.7° | 60.1° |
| C19 | C5 | C10 | C1 | 62.7° | 74.4° |
| C19 | C5 | C10 | C9 | 59.6° | 53.9° |
| C19 | C5 | C4 | H4 | 175.8° | 170.7° |
| C19 | C5 | C4 | H5 | 56.8° | 50.7° |
| C19 | C5 | C6 | H6 | 178.0° | 172.6° |
| C5 | C19 | H16 | H17 | 120.0° | 120.0° |
| C5 | C19 | H16 | H18 | 120.0° | 120.0° |
| C5 | C19 | H17 | H18 | 120.0° | 120.0° |
| C19 | C5 | C10 | H30 | 178.2° | 168.0° |
| C5 | C10 | C1 | C2 | 59.2° | 46.6° |
| C5 | C10 | C1 | C9 | 120.5° | 127.9° |
| C5 | C10 | C1 | H30 | 118.6° | 117.3° |
| C5 | C10 | C9 | H30 | 118.2° | 114.3° |
| C5 | C10 | C9 | C8 | 58.8° | 64.6° |
| C5 | C10 | C1 | C21 | 167.5° | 163.8° |
| C5 | C10 | C1 | C | 80.6° | 77.6° |
| C10 | C5 | C4 | H4 | 62.9° | 64.4° |
| C10 | C5 | C4 | H5 | 178.1° | 175.6° |
| C10 | C5 | C6 | H6 | 60.0° | 65.4° |
| C5 | C10 | C9 | H8 | 61.6° | 177.2° |
| C5 | C10 | C9 | H9 | 179.2° | 56.3° |
| C10 | C5 | C19 | H16 | 61.4° | 55.0° |
| C10 | C5 | C19 | H17 | 178.7° | 65.0° |
| C10 | C5 | C19 | H18 | 58.7° | 175.0° |
| C12 | C7 | C8 | C9 | 135.6° | 130.7° |
| C12 | C7 | C8 | O | 10.6° | 11.0° |
| C12 | C7 | C6 | H6 | 112.5° | 110.6° |
| C12 | C7 | C8 | H7 | 107.7° | 109.6° |
| C7 | C12 | H10 | H11 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 50.7° | 53.0° |
| C7 | C8 | C9 | O | 127.5° | 119.9° |
| C7 | C8 | C9 | H7 | 116.8° | 120.0° |
| C7 | C8 | O | H7 | 117.7° | 120.7° |
| C8 | C7 | C6 | H6 | 66.3° | 69.0° |
| C7 | C8 | C9 | H8 | 69.7° | 172.6° |
| C7 | C8 | C9 | H9 | 171.1° | 69.5° |
| C8 | C7 | C12 | H10 | 0.0° | 174.1° |
| C8 | C7 | C12 | H11 | 180.0° | 5.9° |
| C7 | C8 | O | H29 | 180.0° | 60.7° |
| C2 | C1 | C10 | C21 | 108.4° | 117.3° |
| C2 | C1 | C10 | C | 139.8° | 124.2° |
| C2 | C1 | C10 | C9 | 179.6° | 174.5° |
| C2 | C1 | C21 | C | 119.4° | 117.6° |
| C1 | C2 | H1 | H2 | 120.0° | 118.8° |
| C1 | C2 | C3 | H3 | 61.6° | 61.7° |
| C2 | C1 | C21 | H22 | 180.0° | 57.5° |
| C2 | C1 | C21 | H23 | 60.0° | 62.4° |
| C2 | C1 | C21 | H24 | 60.0° | 177.5° |
| C2 | C1 | C | H26 | 180.0° | 176.1° |
| C2 | C1 | C | H27 | 60.0° | 56.1° |
| C2 | C1 | C | H28 | 60.0° | 63.9° |
| C2 | C1 | C10 | H30 | 59.4° | 70.7° |
| C1 | C10 | C9 | H30 | 121.1° | 115.2° |
| C1 | C10 | C9 | C8 | 179.4° | 165.0° |
| C10 | C1 | C21 | C | 124.0° | 121.7° |
| C10 | C1 | C2 | H1 | 179.1° | 69.2° |
| C10 | C1 | C2 | H2 | 60.8° | 172.3° |
| C1 | C10 | C9 | H8 | 59.0° | 46.8° |
| C1 | C10 | C9 | H9 | 60.1° | 74.1° |
| C10 | C1 | C21 | H22 | 63.4° | 178.2° |
| C10 | C1 | C21 | H23 | 176.6° | 58.3° |
| C10 | C1 | C21 | H24 | 56.6° | 61.8° |
| C10 | C1 | C | H26 | 41.2° | 50.7° |
| C10 | C1 | C | H27 | 78.8° | 69.3° |
| C10 | C1 | C | H28 | 161.3° | 170.7° |
| C10 | C9 | C8 | H8 | 120.4° | 119.6° |
| C10 | C9 | C8 | H9 | 120.4° | 122.4° |
| C10 | C9 | C8 | O | 178.2° | 172.9° |
| C9 | C10 | C1 | C21 | 72.0° | 68.3° |
| C9 | C10 | C1 | C | 39.9° | 50.3° |
| C10 | C9 | C8 | H7 | 66.1° | 67.0° |
| C10 | C9 | H8 | H9 | 118.8° | 122.8° |
| C9 | C8 | O | H7 | 115.0° | 119.9° |
| C8 | C9 | H8 | H9 | 118.7° | 118.4° |
| C9 | C8 | O | H29 | 52.7° | 180.0° |
| C8 | C9 | C10 | H30 | 59.4° | 49.7° |
| O | C8 | C9 | H8 | 57.8° | 67.5° |
| O | C8 | C9 | H9 | 61.4° | 50.5° |
| C21 | C1 | C2 | H1 | 72.1° | 49.2° |
| C21 | C1 | C2 | H2 | 48.0° | 69.3° |
| C1 | C21 | H22 | H23 | 120.0° | 119.9° |
| C1 | C21 | H22 | H24 | 120.0° | 120.0° |
| C1 | C21 | H23 | H24 | 120.0° | 120.0° |
| C21 | C1 | C | H26 | 70.7° | 68.4° |
| C21 | C1 | C | H27 | 169.4° | 171.6° |
| C21 | C1 | C | H28 | 49.4° | 51.5° |
| C21 | C1 | C10 | H30 | 49.0° | 46.5° |
| C | C1 | C2 | H1 | 37.7° | 165.2° |
| C | C1 | C2 | H2 | 157.7° | 46.7° |
| C | C1 | C21 | H22 | 60.6° | 60.1° |
| C | C1 | C21 | H23 | 59.4° | 180.0° |
| C | C1 | C21 | H24 | 179.4° | 59.9° |
| C1 | C | H26 | H27 | 120.0° | 120.0° |
| C1 | C | H26 | H28 | 120.0° | 120.0° |
| C1 | C | H27 | H28 | 120.0° | 120.0° |
| C | C1 | C10 | H30 | 160.8° | 165.1° |
| H1 | C2 | C3 | H3 | 58.4° | 177.8° |
| H2 | C2 | C3 | H3 | 178.4° | 58.9° |
| H3 | C3 | C4 | H4 | 179.9° | 179.6° |
| H3 | C3 | C4 | H5 | 61.1° | 61.3° |
| H3 | C3 | C20 | H19 | 61.2° | 60.5° |
| H3 | C3 | C20 | H20 | 58.7° | 59.5° |
| H3 | C3 | C20 | H21 | 178.7° | 179.4° |
| H6 | C6 | C13 | H12 | 162.8° | 155.3° |
| H6 | C6 | C13 | H13 | 78.8° | 84.7° |
| H7 | C8 | C9 | H8 | 173.5° | 52.6° |
| H7 | C8 | C9 | H9 | 54.4° | 170.5° |
| H7 | C8 | O | H29 | 62.3° | 60.0° |
| H8 | C9 | C10 | H30 | 179.8° | 68.4° |
| H9 | C9 | C10 | H30 | 61.0° | 170.6° |
| H12 | C13 | C14 | H31 | 82.2° | 37.5° |
| H13 | C13 | C14 | H31 | 159.3° | 157.5° |
| H14 | C16 | C15 | H32 | 134.4° | 122.9° |
| H15 | C16 | C15 | H32 | 12.9° | 0.1° |
| H16 | C19 | H17 | H18 | 120.0° | 120.0° |
| H19 | C20 | H20 | H21 | 120.0° | 120.1° |
| H22 | C21 | H23 | H24 | 120.0° | 120.0° |
| H26 | C | H27 | H28 | 120.1° | 120.0° |
| H31 | C14 | C15 | H32 | 66.0° | 177.1° |
| H31 | C14 | O3 | H33 | 62.2° | 176.2° |
