A1CLJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O11 | C10 | doub | 1.21Å | 1.20Å | |
| C12 | C10 | sing | 1.50Å | 1.51Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C10 | C09 | sing | 1.50Å | 1.53Å | |
| O23 | C20 | sing | 1.36Å | 1.37Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.38Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | O24 | sing | 1.35Å | 1.38Å | |
| C19 | C18 | doub | 1.39Å | 1.37Å | Aromatic |
| O24 | C09 | sing | 1.46Å | 1.47Å | |
| C09 | C08 | sing | 1.52Å | 1.54Å | |
| C22 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C18 | C08 | sing | 1.51Å | 1.50Å | |
| C17 | C16 | sing | 1.49Å | 1.51Å | |
| C14 | C08 | sing | 1.52Å | 1.54Å | |
| C14 | O25 | sing | 1.43Å | 1.43Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C08 | C07 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.52Å | 1.56Å | |
| C15 | N05 | sing | 1.47Å | 1.48Å | |
| C07 | C06 | sing | 1.53Å | 1.52Å | |
| N05 | C06 | sing | 1.47Å | 1.47Å | |
| N05 | C04 | sing | 1.47Å | 1.47Å | |
| C04 | C03 | sing | 1.53Å | 1.51Å | |
| C02 | C03 | sing | 1.53Å | 1.50Å | |
| C02 | C01 | sing | 1.53Å | 1.49Å | |
| C03 | C01 | sing | 1.53Å | 1.50Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H21 | sing | 1.08Å | 1.08Å | |
| O23 | H23 | sing | 0.97Å | 0.95Å | |
| O25 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O11 | C10 | C12 | 122.2° | 118.5° |
| O11 | C10 | C09 | 121.2° | 118.4° |
| C10 | C12 | C13 | 115.2° | 110.0° |
| C12 | C10 | C09 | 116.6° | 123.1° |
| C10 | C12 | H13 | 108.0° | 109.3° |
| C10 | C12 | H14 | 108.0° | 109.4° |
| C12 | C13 | C14 | 118.1° | 108.8° |
| C13 | C12 | H13 | 108.0° | 109.4° |
| C13 | C12 | H14 | 108.0° | 109.4° |
| C12 | C13 | H15 | 107.3° | 109.6° |
| C12 | C13 | H16 | 107.3° | 109.6° |
| C10 | C09 | O24 | 110.1° | 107.4° |
| C10 | C09 | C08 | 113.2° | 111.9° |
| C10 | C09 | H12 | 109.7° | 111.4° |
| O23 | C20 | C21 | 122.9° | 121.5° |
| O23 | C20 | C19 | 120.3° | 121.5° |
| C20 | O23 | H23 | 109.5° | 114.0° |
| C13 | C14 | C08 | 111.6° | 110.2° |
| C13 | C14 | O25 | 104.8° | 109.6° |
| C13 | C14 | C15 | 113.5° | 110.0° |
| C14 | C13 | H15 | 107.2° | 109.6° |
| C14 | C13 | H16 | 107.3° | 109.6° |
| C21 | C20 | C19 | 116.7° | 117.0° |
| C20 | C21 | C22 | 121.3° | 123.3° |
| C20 | C21 | H20 | 119.3° | 118.3° |
| C20 | C19 | O24 | 127.7° | 132.0° |
| C20 | C19 | C18 | 121.0° | 117.8° |
| C21 | C22 | C17 | 121.0° | 120.2° |
| C22 | C21 | H20 | 119.4° | 118.3° |
| C21 | C22 | H21 | 119.5° | 120.0° |
| O24 | C19 | C18 | 111.2° | 110.2° |
| C19 | O24 | C09 | 102.8° | 108.7° |
| C19 | C18 | C17 | 123.7° | 125.6° |
| C19 | C18 | C08 | 109.1° | 107.7° |
| O24 | C09 | C08 | 103.7° | 101.9° |
| O24 | C09 | H12 | 110.6° | 112.4° |
| C09 | C08 | C18 | 97.2° | 101.0° |
| C09 | C08 | C14 | 119.1° | 117.5° |
| C09 | C08 | C07 | 111.3° | 111.8° |
| C08 | C09 | H12 | 109.5° | 111.4° |
| C22 | C17 | C18 | 116.2° | 115.8° |
| C22 | C17 | C16 | 126.2° | 124.9° |
| C17 | C22 | H21 | 119.5° | 119.9° |
| C17 | C18 | C08 | 127.1° | 126.7° |
| C18 | C17 | C16 | 117.6° | 119.2° |
| C18 | C08 | C14 | 108.0° | 105.7° |
| C18 | C08 | C07 | 112.1° | 109.9° |
| C17 | C16 | C15 | 115.2° | 113.5° |
| C17 | C16 | H18 | 108.0° | 108.7° |
| C17 | C16 | H19 | 108.0° | 108.6° |
| C08 | C14 | O25 | 108.4° | 109.6° |
| C08 | C14 | C15 | 105.3° | 107.5° |
| C14 | C08 | C07 | 108.7° | 110.2° |
| O25 | C14 | C15 | 113.2° | 109.9° |
| C14 | O25 | H24 | 109.5° | 114.0° |
| C14 | C15 | C16 | 111.9° | 114.4° |
| C14 | C15 | N05 | 109.5° | 109.1° |
| C14 | C15 | H17 | 106.8° | 107.9° |
| C08 | C07 | C06 | 111.5° | 108.7° |
| C08 | C07 | H10 | 109.0° | 109.6° |
| C08 | C07 | H11 | 109.0° | 109.8° |
| C16 | C15 | N05 | 113.7° | 110.2° |
| C16 | C15 | H17 | 106.8° | 107.3° |
| C15 | C16 | H18 | 108.0° | 108.6° |
| C15 | C16 | H19 | 108.0° | 108.6° |
| C15 | N05 | C06 | 112.7° | 111.8° |
| C15 | N05 | C04 | 117.4° | 111.1° |
| N05 | C15 | H17 | 107.8° | 107.8° |
| C07 | C06 | N05 | 110.8° | 109.8° |
| C07 | C06 | H8 | 109.2° | 109.4° |
| C07 | C06 | H9 | 109.2° | 109.4° |
| C06 | C07 | H10 | 109.0° | 109.6° |
| C06 | C07 | H11 | 108.9° | 109.6° |
| C06 | N05 | C04 | 111.6° | 111.0° |
| N05 | C06 | H8 | 109.2° | 109.4° |
| N05 | C06 | H9 | 109.2° | 109.4° |
| N05 | C04 | C03 | 114.3° | 109.5° |
| N05 | C04 | H6 | 108.2° | 109.5° |
| N05 | C04 | H7 | 108.3° | 109.5° |
| C04 | C03 | C02 | 119.4° | 117.5° |
| C04 | C03 | C01 | 118.7° | 117.5° |
| C04 | C03 | H5 | 115.8° | 115.6° |
| C03 | C04 | H6 | 108.3° | 109.5° |
| C03 | C04 | H7 | 108.3° | 109.5° |
| C03 | C02 | C01 | 60.2° | 60.0° |
| C02 | C03 | C01 | 59.5° | 60.0° |
| C03 | C02 | H3 | 119.9° | 117.5° |
| C03 | C02 | H4 | 120.0° | 117.5° |
| C02 | C03 | H5 | 115.9° | 117.5° |
| C02 | C01 | C03 | 60.3° | 60.1° |
| C02 | C01 | H1 | 120.0° | 117.5° |
| C02 | C01 | H2 | 120.0° | 117.5° |
| C01 | C02 | H3 | 119.9° | 117.5° |
| C01 | C02 | H4 | 120.0° | 117.5° |
| C03 | C01 | H1 | 120.0° | 117.5° |
| C03 | C01 | H2 | 119.9° | 117.5° |
| C01 | C03 | H5 | 115.9° | 117.5° |
| H1 | C01 | H2 | 109.5° | 115.5° |
| H3 | C02 | H4 | 109.5° | 115.5° |
| H6 | C04 | H7 | 109.5° | 109.5° |
| H8 | C06 | H9 | 109.4° | 109.5° |
| H10 | C07 | H11 | 109.5° | 109.5° |
| H13 | C12 | H14 | 109.5° | 109.3° |
| H15 | C13 | H16 | 109.5° | 109.7° |
| H18 | C16 | H19 | 109.5° | 108.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O11 | C10 | C12 | C09 | 179.9° | 179.7° |
| O11 | C10 | C12 | C13 | 134.1° | 139.6° |
| O11 | C10 | C09 | O24 | 78.6° | 43.1° |
| O11 | C10 | C09 | C08 | 165.8° | 154.2° |
| O11 | C10 | C09 | H12 | 43.2° | 80.3° |
| O11 | C10 | C12 | H13 | 13.3° | 100.2° |
| O11 | C10 | C12 | H14 | 105.0° | 19.4° |
| C10 | C12 | C13 | H13 | 120.8° | 120.1° |
| C10 | C12 | C13 | H14 | 120.8° | 120.2° |
| C10 | C12 | C13 | C14 | 31.7° | 56.9° |
| C12 | C10 | C09 | O24 | 101.5° | 137.1° |
| C12 | C10 | C09 | C08 | 14.1° | 26.1° |
| C12 | C10 | C09 | H12 | 136.7° | 99.4° |
| C10 | C12 | H13 | H14 | 117.4° | 119.7° |
| C10 | C12 | C13 | H15 | 89.5° | 176.7° |
| C10 | C12 | C13 | H16 | 152.9° | 62.9° |
| C13 | C12 | C10 | C09 | 45.7° | 40.6° |
| C12 | C13 | C14 | H15 | 121.2° | 119.8° |
| C12 | C13 | C14 | H16 | 121.2° | 119.8° |
| C12 | C13 | C14 | C08 | 12.1° | 62.9° |
| C12 | C13 | C14 | O25 | 105.0° | 57.8° |
| C12 | C13 | C14 | C15 | 130.9° | 178.8° |
| C13 | C12 | H13 | H14 | 117.4° | 119.8° |
| C12 | C13 | H15 | H16 | 116.1° | 120.3° |
| C10 | C09 | O24 | C19 | 82.5° | 86.6° |
| C10 | C09 | O24 | C08 | 121.4° | 117.8° |
| C10 | C09 | O24 | H12 | 121.3° | 122.9° |
| C10 | C09 | C08 | H12 | 122.7° | 125.5° |
| C10 | C09 | C08 | C18 | 82.8° | 84.3° |
| C10 | C09 | C08 | C14 | 32.5° | 30.0° |
| C10 | C09 | C08 | C07 | 160.1° | 158.9° |
| C09 | C10 | C12 | H13 | 166.6° | 79.5° |
| C09 | C10 | C12 | H14 | 75.1° | 160.8° |
| O23 | C20 | C21 | C19 | 178.8° | 180.0° |
| O23 | C20 | C21 | C22 | 179.8° | 178.8° |
| O23 | C20 | C19 | O24 | 0.4° | 1.6° |
| O23 | C20 | C19 | C18 | 178.6° | 177.8° |
| O23 | C20 | C21 | H20 | 0.3° | 1.3° |
| C13 | C14 | C08 | C09 | 45.4° | 50.3° |
| C13 | C14 | C08 | C18 | 64.0° | 61.4° |
| C13 | C14 | C08 | O25 | 114.9° | 120.7° |
| C13 | C14 | C08 | C15 | 123.6° | 119.8° |
| C13 | C14 | O25 | C15 | 124.2° | 121.0° |
| C13 | C14 | C08 | C07 | 174.2° | 179.9° |
| C13 | C14 | C15 | C16 | 58.8° | 56.9° |
| C13 | C14 | C15 | N05 | 174.3° | 179.2° |
| C14 | C13 | C12 | H13 | 152.5° | 63.2° |
| C14 | C13 | C12 | H14 | 89.2° | 177.1° |
| C14 | C13 | H15 | H16 | 116.1° | 120.4° |
| C13 | C14 | C15 | H17 | 57.8° | 62.4° |
| C13 | C14 | O25 | H24 | 180.0° | 60.0° |
| C20 | C21 | C22 | H20 | 180.0° | 179.9° |
| C21 | C20 | C19 | O24 | 179.2° | 178.4° |
| C21 | C20 | C19 | C18 | 2.6° | 2.3° |
| C20 | C21 | C22 | C17 | 0.0° | 1.0° |
| C20 | C21 | C22 | H21 | 180.0° | 179.0° |
| C21 | C20 | O23 | H23 | 180.0° | 90.0° |
| C19 | C20 | C21 | C22 | 0.9° | 1.2° |
| C20 | C19 | O24 | C18 | 178.4° | 179.3° |
| C20 | C19 | O24 | C09 | 156.4° | 161.9° |
| C20 | C19 | C18 | C17 | 3.4° | 6.5° |
| C20 | C19 | C18 | C08 | 179.4° | 177.1° |
| C19 | C20 | C21 | H20 | 179.1° | 178.7° |
| C19 | C20 | O23 | H23 | 1.2° | 90.0° |
| C21 | C22 | C17 | H21 | 180.0° | 180.0° |
| C21 | C22 | C17 | C18 | 0.6° | 2.7° |
| C21 | C22 | C17 | C16 | 178.6° | 176.6° |
| C19 | O24 | C09 | C08 | 38.9° | 31.2° |
| O24 | C19 | C18 | C17 | 178.1° | 174.0° |
| O24 | C19 | C18 | C08 | 0.9° | 2.4° |
| C19 | O24 | C09 | H12 | 156.2° | 150.6° |
| C18 | C19 | O24 | C09 | 25.3° | 18.7° |
| C19 | C18 | C08 | C09 | 22.2° | 20.9° |
| C19 | C18 | C17 | C22 | 2.3° | 6.7° |
| C19 | C18 | C17 | C08 | 176.7° | 175.7° |
| C19 | C18 | C17 | C16 | 176.9° | 172.7° |
| C19 | C18 | C08 | C14 | 146.0° | 143.9° |
| C19 | C18 | C08 | C07 | 94.3° | 97.3° |
| O24 | C09 | C08 | H12 | 118.0° | 120.0° |
| O24 | C09 | C08 | C18 | 36.5° | 30.2° |
| O24 | C09 | C08 | C14 | 151.8° | 144.5° |
| O24 | C09 | C08 | C07 | 80.7° | 86.6° |
| C09 | C08 | C18 | C17 | 154.9° | 155.4° |
| C09 | C08 | C18 | C14 | 123.8° | 122.9° |
| C09 | C08 | C18 | C07 | 116.5° | 118.2° |
| C09 | C08 | C14 | C07 | 128.8° | 129.6° |
| C09 | C08 | C14 | O25 | 69.5° | 70.4° |
| C09 | C08 | C14 | C15 | 169.0° | 170.1° |
| C09 | C08 | C07 | C06 | 167.7° | 168.7° |
| C09 | C08 | C07 | H10 | 47.5° | 71.5° |
| C09 | C08 | C07 | H11 | 72.0° | 48.8° |
| C22 | C17 | C18 | C16 | 179.2° | 179.4° |
| C22 | C17 | C18 | C08 | 179.0° | 177.6° |
| C22 | C17 | C16 | C15 | 179.8° | 178.8° |
| C22 | C17 | C16 | H18 | 59.3° | 57.8° |
| C22 | C17 | C16 | H19 | 59.0° | 60.3° |
| C17 | C22 | C21 | H20 | 180.0° | 179.0° |
| C17 | C18 | C08 | C14 | 31.1° | 32.5° |
| C17 | C18 | C08 | C07 | 88.6° | 86.4° |
| C18 | C17 | C16 | C15 | 1.1° | 1.9° |
| C18 | C17 | C16 | H18 | 119.8° | 122.9° |
| C18 | C17 | C16 | H19 | 121.9° | 119.1° |
| C18 | C17 | C22 | H21 | 179.4° | 177.3° |
| C08 | C18 | C17 | C16 | 0.2° | 3.0° |
| C18 | C08 | C14 | C07 | 121.8° | 118.7° |
| C18 | C08 | C14 | O25 | 178.9° | 177.9° |
| C18 | C08 | C14 | C15 | 59.6° | 58.4° |
| C18 | C08 | C07 | C06 | 60.1° | 57.5° |
| C18 | C08 | C07 | H10 | 60.2° | 177.2° |
| C18 | C08 | C07 | H11 | 179.7° | 62.4° |
| C18 | C08 | C09 | H12 | 154.5° | 150.2° |
| C17 | C16 | C15 | C14 | 33.9° | 32.3° |
| C17 | C16 | C15 | H18 | 120.9° | 121.0° |
| C17 | C16 | C15 | H19 | 120.8° | 120.9° |
| C17 | C16 | C15 | N05 | 90.8° | 91.0° |
| C17 | C16 | C15 | H17 | 150.4° | 151.9° |
| C17 | C16 | H18 | H19 | 117.4° | 118.0° |
| C16 | C17 | C22 | H21 | 1.4° | 3.4° |
| C08 | C14 | O25 | C15 | 116.5° | 118.0° |
| C08 | C14 | C15 | C16 | 63.7° | 63.1° |
| C08 | C14 | C15 | N05 | 63.3° | 60.8° |
| C14 | C08 | C07 | C06 | 59.2° | 58.6° |
| C14 | C08 | C07 | H10 | 179.5° | 61.2° |
| C14 | C08 | C07 | H11 | 61.0° | 178.5° |
| C14 | C08 | C09 | H12 | 90.2° | 95.5° |
| C08 | C14 | C13 | H15 | 133.3° | 177.3° |
| C08 | C14 | C13 | H16 | 109.2° | 56.9° |
| C08 | C14 | C15 | H17 | 179.7° | 177.6° |
| C08 | C14 | O25 | H24 | 60.7° | 178.9° |
| O25 | C14 | C08 | C07 | 59.3° | 59.2° |
| O25 | C14 | C15 | C16 | 178.0° | 177.6° |
| O25 | C14 | C15 | N05 | 55.0° | 58.4° |
| O25 | C14 | C13 | H15 | 16.2° | 62.0° |
| O25 | C14 | C13 | H16 | 133.7° | 177.6° |
| O25 | C14 | C15 | H17 | 61.5° | 58.4° |
| C15 | C14 | C08 | C07 | 62.2° | 60.3° |
| C14 | C15 | C16 | N05 | 124.7° | 123.3° |
| C14 | C15 | C16 | H17 | 116.6° | 119.6° |
| C14 | C15 | N05 | H17 | 115.8° | 116.9° |
| C14 | C15 | N05 | C06 | 61.0° | 62.3° |
| C14 | C15 | N05 | C04 | 70.8° | 62.4° |
| C15 | C14 | C13 | H15 | 107.8° | 59.0° |
| C15 | C14 | C13 | H16 | 9.7° | 61.5° |
| C14 | C15 | C16 | H18 | 87.0° | 153.4° |
| C14 | C15 | C16 | H19 | 154.7° | 88.6° |
| C15 | C14 | O25 | H24 | 55.8° | 61.0° |
| C08 | C07 | C06 | H10 | 120.3° | 119.8° |
| C08 | C07 | C06 | H11 | 120.3° | 120.0° |
| C08 | C07 | C06 | N05 | 53.7° | 57.1° |
| C08 | C07 | C06 | H8 | 66.5° | 63.0° |
| C08 | C07 | C06 | H9 | 173.9° | 177.1° |
| C08 | C07 | H10 | H11 | 119.1° | 120.5° |
| C07 | C08 | C09 | H12 | 37.4° | 33.4° |
| C16 | C15 | N05 | H17 | 118.2° | 116.8° |
| C16 | C15 | N05 | C06 | 65.0° | 64.1° |
| C16 | C15 | N05 | C04 | 163.2° | 171.3° |
| C15 | C16 | H18 | H19 | 117.3° | 118.0° |
| C15 | N05 | C06 | C07 | 54.9° | 60.3° |
| C15 | N05 | C06 | C04 | 134.6° | 124.7° |
| C15 | N05 | C04 | C03 | 91.6° | 162.9° |
| C15 | N05 | C04 | H6 | 147.7° | 42.9° |
| C15 | N05 | C04 | H7 | 29.1° | 77.1° |
| C15 | N05 | C06 | H8 | 65.3° | 59.8° |
| C15 | N05 | C06 | H9 | 175.2° | 179.7° |
| N05 | C15 | C16 | H18 | 148.3° | 30.0° |
| N05 | C15 | C16 | H19 | 30.0° | 148.1° |
| C07 | C06 | N05 | H8 | 120.2° | 120.0° |
| C07 | C06 | N05 | H9 | 120.2° | 120.1° |
| C07 | C06 | N05 | C04 | 79.7° | 64.4° |
| C07 | C06 | H8 | H9 | 119.4° | 119.8° |
| C06 | C07 | H10 | H11 | 119.1° | 120.3° |
| C06 | N05 | C04 | C03 | 136.1° | 72.0° |
| C06 | N05 | C04 | H6 | 15.4° | 168.0° |
| C06 | N05 | C04 | H7 | 103.2° | 48.0° |
| N05 | C06 | H8 | H9 | 119.4° | 119.9° |
| N05 | C06 | C07 | H10 | 174.0° | 62.7° |
| N05 | C06 | C07 | H11 | 66.6° | 177.0° |
| C06 | N05 | C15 | H17 | 176.8° | 179.1° |
| N05 | C04 | C03 | H6 | 120.7° | 120.0° |
| N05 | C04 | C03 | H7 | 120.7° | 120.0° |
| N05 | C04 | C03 | C02 | 1.8° | 175.0° |
| N05 | C04 | C03 | C01 | 67.4° | 116.4° |
| N05 | C04 | C03 | H5 | 147.8° | 29.4° |
| N05 | C04 | H6 | H7 | 117.8° | 120.0° |
| C04 | N05 | C06 | H8 | 160.1° | 175.6° |
| C04 | N05 | C06 | H9 | 40.5° | 55.7° |
| C04 | N05 | C15 | H17 | 45.0° | 54.5° |
| C04 | C03 | C02 | C01 | 107.9° | 107.5° |
| C04 | C03 | C02 | H5 | 145.9° | 145.0° |
| C04 | C03 | C01 | H5 | 144.8° | 145.1° |
| C04 | C03 | C01 | H1 | 141.3° | 145.0° |
| C04 | C03 | C01 | H2 | 0.5° | 0.1° |
| C04 | C03 | C02 | H3 | 142.6° | 0.0° |
| C04 | C03 | C02 | H4 | 1.7° | 145.0° |
| C03 | C04 | H6 | H7 | 117.8° | 120.0° |
| C03 | C02 | C01 | H3 | 109.5° | 107.5° |
| C03 | C02 | C01 | H4 | 109.5° | 107.5° |
| C02 | C03 | C01 | H5 | 106.1° | 107.4° |
| C03 | C02 | C01 | H1 | 109.5° | 107.5° |
| C03 | C02 | C01 | H2 | 109.5° | 107.5° |
| C03 | C02 | H3 | H4 | 144.6° | 145.7° |
| C02 | C03 | C04 | H6 | 122.5° | 65.0° |
| C02 | C03 | C04 | H7 | 119.0° | 55.0° |
| C02 | C01 | H1 | H2 | 144.6° | 145.7° |
| C01 | C02 | H3 | H4 | 144.6° | 145.7° |
| C03 | C01 | H1 | H2 | 144.6° | 145.6° |
| C01 | C03 | C04 | H6 | 53.3° | 3.6° |
| C01 | C03 | C04 | H7 | 171.9° | 123.6° |
| H1 | C01 | C02 | H3 | 0.0° | 145.0° |
| H1 | C01 | C02 | H4 | 140.9° | 0.0° |
| H1 | C01 | C03 | H5 | 3.4° | 0.1° |
| H2 | C01 | C02 | H3 | 141.0° | 0.1° |
| H2 | C01 | C02 | H4 | 0.0° | 145.0° |
| H2 | C01 | C03 | H5 | 144.3° | 145.1° |
| H3 | C02 | C03 | H5 | 3.4° | 144.9° |
| H4 | C02 | C03 | H5 | 144.3° | 0.0° |
| H5 | C03 | C04 | H6 | 91.5° | 149.4° |
| H5 | C03 | C04 | H7 | 27.0° | 90.6° |
| H8 | C06 | C07 | H10 | 53.8° | 177.2° |
| H8 | C06 | C07 | H11 | 173.2° | 57.0° |
| H9 | C06 | C07 | H10 | 65.8° | 57.3° |
| H9 | C06 | C07 | H11 | 53.6° | 62.9° |
| H13 | C12 | C13 | H15 | 31.3° | 56.6° |
| H13 | C12 | C13 | H16 | 86.3° | 177.0° |
| H14 | C12 | C13 | H15 | 149.6° | 63.1° |
| H14 | C12 | C13 | H16 | 32.1° | 57.3° |
| H17 | C15 | C16 | H18 | 29.6° | 87.1° |
| H17 | C15 | C16 | H19 | 88.7° | 31.0° |
| H20 | C21 | C22 | H21 | 0.0° | 1.0° |
