T3K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | O02 | sing | 1.43Å | 1.40Å | |
| C04 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.38Å | Aromatic |
| C05 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C17 | O18 | sing | 1.43Å | 1.42Å | |
| O02 | C03 | sing | 1.36Å | 1.37Å | |
| C16 | N15 | sing | 1.47Å | 1.44Å | |
| C03 | C22 | doub | 1.39Å | 1.38Å | Aromatic |
| O18 | C19 | sing | 1.43Å | 1.42Å | |
| C06 | C07 | sing | 1.48Å | 1.48Å | |
| C06 | C21 | doub | 1.40Å | 1.36Å | Aromatic |
| C08 | C07 | sing | 1.51Å | 1.51Å | |
| C07 | N09 | doub | 1.29Å | 1.23Å | |
| C22 | C21 | sing | 1.38Å | 1.35Å | Aromatic |
| C22 | O23 | sing | 1.36Å | 1.39Å | |
| N15 | C20 | sing | 1.47Å | 1.43Å | |
| N15 | C13 | sing | 1.35Å | 1.45Å | |
| C12 | C11 | sing | 1.53Å | 1.51Å | |
| C12 | C13 | sing | 1.51Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| N09 | O10 | sing | 1.42Å | 1.38Å | |
| C11 | O10 | sing | 1.43Å | 1.39Å | |
| C13 | O14 | doub | 1.21Å | 1.19Å | |
| O23 | C24 | sing | 1.43Å | 1.40Å | |
| C24 | C25 | sing | 1.54Å | 1.60Å | |
| C24 | C28 | sing | 1.55Å | 1.58Å | |
| C25 | C26 | sing | 1.54Å | 1.36Å | |
| C28 | C27 | sing | 1.55Å | 1.36Å | |
| C27 | C26 | sing | 1.54Å | 1.67Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C28 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.08Å | 1.08Å | |
| C05 | H15 | sing | 1.08Å | 1.08Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C08 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | O02 | C03 | 116.2° | 117.0° |
| O02 | C01 | H11 | 109.5° | 109.5° |
| O02 | C01 | H12 | 109.5° | 109.5° |
| O02 | C01 | H13 | 109.5° | 109.4° |
| C05 | C04 | C03 | 118.5° | 120.1° |
| C04 | C05 | C06 | 117.7° | 120.0° |
| C05 | C04 | H14 | 120.7° | 119.9° |
| C04 | C05 | H15 | 121.1° | 120.0° |
| C04 | C03 | O02 | 121.5° | 119.9° |
| C04 | C03 | C22 | 121.7° | 120.2° |
| C03 | C04 | H14 | 120.7° | 119.9° |
| C05 | C06 | C07 | 125.4° | 120.1° |
| C05 | C06 | C21 | 123.7° | 119.9° |
| C06 | C05 | H15 | 121.1° | 120.0° |
| C16 | C17 | O18 | 112.9° | 109.2° |
| C17 | C16 | N15 | 111.6° | 108.4° |
| C16 | C17 | H1 | 108.6° | 109.5° |
| C16 | C17 | H2 | 108.6° | 109.5° |
| C17 | C16 | H23 | 109.0° | 109.7° |
| C17 | C16 | H24 | 109.0° | 109.7° |
| C17 | O18 | C19 | 114.4° | 114.2° |
| O18 | C17 | H1 | 108.6° | 109.5° |
| O18 | C17 | H2 | 108.6° | 109.5° |
| O02 | C03 | C22 | 116.8° | 120.0° |
| C16 | N15 | C20 | 110.8° | 118.1° |
| C16 | N15 | C13 | 125.6° | 121.0° |
| N15 | C16 | H23 | 108.9° | 109.6° |
| N15 | C16 | H24 | 108.9° | 109.7° |
| C03 | C22 | C21 | 120.2° | 120.0° |
| C03 | C22 | O23 | 119.7° | 120.0° |
| O18 | C19 | C20 | 111.0° | 109.2° |
| O18 | C19 | H25 | 109.1° | 109.5° |
| O18 | C19 | H26 | 109.1° | 109.6° |
| C07 | C06 | C21 | 110.9° | 120.1° |
| C06 | C07 | C08 | 121.0° | 120.0° |
| C06 | C07 | N09 | 115.4° | 120.0° |
| C06 | C21 | C22 | 118.2° | 119.8° |
| C06 | C21 | H5 | 120.9° | 120.1° |
| C08 | C07 | N09 | 123.5° | 120.0° |
| C07 | C08 | H16 | 109.5° | 109.5° |
| C07 | C08 | H17 | 109.5° | 109.5° |
| C07 | C08 | H18 | 109.5° | 109.4° |
| C07 | N09 | O10 | 121.3° | 120.0° |
| C21 | C22 | O23 | 120.1° | 120.0° |
| C22 | C21 | H5 | 120.9° | 120.1° |
| C22 | O23 | C24 | 109.9° | 117.0° |
| C20 | N15 | C13 | 123.5° | 121.0° |
| N15 | C20 | C19 | 108.8° | 108.4° |
| N15 | C20 | H3 | 109.6° | 109.7° |
| N15 | C20 | H4 | 109.6° | 109.7° |
| N15 | C13 | C12 | 118.2° | 120.0° |
| N15 | C13 | O14 | 121.6° | 120.0° |
| C11 | C12 | C13 | 106.6° | 109.5° |
| C12 | C11 | O10 | 101.9° | 109.5° |
| C12 | C11 | H19 | 111.3° | 109.5° |
| C12 | C11 | H20 | 111.3° | 109.5° |
| C11 | C12 | H21 | 110.2° | 109.5° |
| C11 | C12 | H22 | 110.2° | 109.4° |
| C12 | C13 | O14 | 120.2° | 120.0° |
| C13 | C12 | H21 | 110.2° | 109.5° |
| C13 | C12 | H22 | 110.2° | 109.5° |
| C19 | C20 | H3 | 109.6° | 109.7° |
| C19 | C20 | H4 | 109.6° | 109.7° |
| C20 | C19 | H25 | 109.0° | 109.5° |
| C20 | C19 | H26 | 109.1° | 109.5° |
| N09 | O10 | C11 | 104.3° | 114.0° |
| O10 | C11 | H19 | 111.3° | 109.5° |
| O10 | C11 | H20 | 111.4° | 109.5° |
| O23 | C24 | C25 | 110.1° | 110.5° |
| O23 | C24 | C28 | 105.4° | 110.5° |
| O23 | C24 | H6 | 113.9° | 110.5° |
| C25 | C24 | C28 | 105.4° | 104.2° |
| C24 | C25 | C26 | 106.0° | 106.6° |
| C25 | C24 | H6 | 110.7° | 110.5° |
| C24 | C25 | H27 | 110.3° | 110.0° |
| C24 | C25 | H28 | 110.3° | 110.1° |
| C24 | C28 | C27 | 102.7° | 102.7° |
| C28 | C24 | H6 | 110.9° | 110.5° |
| C24 | C28 | H9 | 111.1° | 110.8° |
| C24 | C28 | H10 | 111.1° | 110.7° |
| C25 | C26 | C27 | 105.2° | 106.6° |
| C25 | C26 | H7 | 110.5° | 110.0° |
| C25 | C26 | H8 | 110.5° | 110.0° |
| C26 | C25 | H27 | 110.3° | 110.0° |
| C26 | C25 | H28 | 110.3° | 110.0° |
| C28 | C27 | C26 | 104.6° | 104.2° |
| C27 | C28 | H9 | 111.1° | 110.8° |
| C27 | C28 | H10 | 111.1° | 110.7° |
| C28 | C27 | H29 | 110.7° | 110.5° |
| C28 | C27 | H30 | 110.7° | 110.5° |
| C27 | C26 | H7 | 110.5° | 110.0° |
| C27 | C26 | H8 | 110.5° | 110.1° |
| C26 | C27 | H29 | 110.7° | 110.5° |
| C26 | C27 | H30 | 110.7° | 110.4° |
| H1 | C17 | H2 | 109.5° | 109.6° |
| H3 | C20 | H4 | 109.5° | 109.7° |
| H7 | C26 | H8 | 109.5° | 110.0° |
| H9 | C28 | H10 | 109.5° | 110.8° |
| H11 | C01 | H12 | 109.5° | 109.5° |
| H11 | C01 | H13 | 109.5° | 109.4° |
| H12 | C01 | H13 | 109.5° | 109.5° |
| H16 | C08 | H17 | 109.5° | 109.5° |
| H16 | C08 | H18 | 109.5° | 109.5° |
| H17 | C08 | H18 | 109.5° | 109.5° |
| H19 | C11 | H20 | 109.5° | 109.5° |
| H21 | C12 | H22 | 109.4° | 109.4° |
| H23 | C16 | H24 | 109.5° | 109.7° |
| H25 | C19 | H26 | 109.5° | 109.5° |
| H27 | C25 | H28 | 109.5° | 110.0° |
| H29 | C27 | H30 | 109.4° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | O02 | C03 | C04 | 1.0° | 0.0° |
| C01 | O02 | C03 | C22 | 178.5° | 180.0° |
| O02 | C01 | H11 | H12 | 120.0° | 120.1° |
| O02 | C01 | H11 | H13 | 120.0° | 119.9° |
| O02 | C01 | H12 | H13 | 120.0° | 120.0° |
| C05 | C04 | C03 | H14 | 180.0° | 179.8° |
| C04 | C05 | C06 | H15 | 180.0° | 179.8° |
| C05 | C04 | C03 | O02 | 179.9° | 180.0° |
| C05 | C04 | C03 | C22 | 0.5° | 0.0° |
| C04 | C05 | C06 | C07 | 180.0° | 179.9° |
| C04 | C05 | C06 | C21 | 0.9° | 0.5° |
| C03 | C04 | C05 | C06 | 0.9° | 0.2° |
| C04 | C03 | O02 | C22 | 179.5° | 180.0° |
| C04 | C03 | C22 | C21 | 0.1° | 0.0° |
| C04 | C03 | C22 | O23 | 179.9° | 180.0° |
| C03 | C04 | C05 | H15 | 179.1° | 180.0° |
| C05 | C06 | C07 | C21 | 179.2° | 179.4° |
| C05 | C06 | C07 | C08 | 75.1° | 0.0° |
| C05 | C06 | C07 | N09 | 109.3° | 180.0° |
| C05 | C06 | C21 | C22 | 0.4° | 0.5° |
| C05 | C06 | C21 | H5 | 179.6° | 179.7° |
| C06 | C05 | C04 | H14 | 179.1° | 180.0° |
| C16 | C17 | O18 | H1 | 120.5° | 119.9° |
| C16 | C17 | O18 | H2 | 120.5° | 119.9° |
| C17 | C16 | N15 | H23 | 120.3° | 119.7° |
| C17 | C16 | N15 | H24 | 120.3° | 119.8° |
| C16 | C17 | O18 | C19 | 47.6° | 62.6° |
| C17 | C16 | N15 | C20 | 56.7° | 50.5° |
| C17 | C16 | N15 | C13 | 121.1° | 129.5° |
| C16 | C17 | H1 | H2 | 118.4° | 120.2° |
| C17 | C16 | H23 | H24 | 119.1° | 120.5° |
| O18 | C17 | C16 | N15 | 48.9° | 52.3° |
| C17 | O18 | C19 | C20 | 52.1° | 62.6° |
| O18 | C17 | H1 | H2 | 118.4° | 120.1° |
| O18 | C17 | C16 | H23 | 169.2° | 67.4° |
| O18 | C17 | C16 | H24 | 71.4° | 172.1° |
| C17 | O18 | C19 | H25 | 172.3° | 177.5° |
| C17 | O18 | C19 | H26 | 68.2° | 57.4° |
| O02 | C03 | C22 | C21 | 179.4° | 180.0° |
| O02 | C03 | C22 | O23 | 0.6° | 0.0° |
| C03 | O02 | C01 | H11 | 180.0° | 180.0° |
| C03 | O02 | C01 | H12 | 60.0° | 60.0° |
| C03 | O02 | C01 | H13 | 60.0° | 60.1° |
| O02 | C03 | C04 | H14 | 0.1° | 0.2° |
| C16 | N15 | C20 | C13 | 177.8° | 180.0° |
| C16 | N15 | C13 | C12 | 1.1° | 179.7° |
| C16 | N15 | C20 | C19 | 60.6° | 50.5° |
| C16 | N15 | C13 | O14 | 178.6° | 0.1° |
| N15 | C16 | C17 | H1 | 169.4° | 67.6° |
| N15 | C16 | C17 | H2 | 71.6° | 172.2° |
| C16 | N15 | C20 | H3 | 179.5° | 170.2° |
| C16 | N15 | C20 | H4 | 59.3° | 69.2° |
| N15 | C16 | H23 | H24 | 119.0° | 120.5° |
| C03 | C22 | C21 | C06 | 0.1° | 0.3° |
| C03 | C22 | C21 | O23 | 180.0° | 180.0° |
| C03 | C22 | O23 | C24 | 156.5° | 174.5° |
| C03 | C22 | C21 | H5 | 179.9° | 180.0° |
| C22 | C03 | C04 | H14 | 179.5° | 179.8° |
| O18 | C19 | C20 | N15 | 57.9° | 52.3° |
| O18 | C19 | C20 | H25 | 120.2° | 119.9° |
| O18 | C19 | C20 | H26 | 120.3° | 120.0° |
| C19 | O18 | C17 | H1 | 168.2° | 57.3° |
| C19 | O18 | C17 | H2 | 72.8° | 177.5° |
| O18 | C19 | C20 | H3 | 177.8° | 172.1° |
| O18 | C19 | C20 | H4 | 62.0° | 67.4° |
| O18 | C19 | H25 | H26 | 119.3° | 120.1° |
| C06 | C07 | C08 | N09 | 175.2° | 179.9° |
| C07 | C06 | C21 | C22 | 179.6° | 180.0° |
| C06 | C07 | N09 | O10 | 178.9° | 180.0° |
| C07 | C06 | C21 | H5 | 0.4° | 0.3° |
| C07 | C06 | C05 | H15 | 0.0° | 0.3° |
| C06 | C07 | C08 | H16 | 180.0° | 89.9° |
| C06 | C07 | C08 | H17 | 60.0° | 150.0° |
| C06 | C07 | C08 | H18 | 60.0° | 30.0° |
| C21 | C06 | C07 | C08 | 105.6° | 179.5° |
| C21 | C06 | C07 | N09 | 69.9° | 0.6° |
| C06 | C21 | C22 | H5 | 180.0° | 179.7° |
| C06 | C21 | C22 | O23 | 179.9° | 179.7° |
| C21 | C06 | C05 | H15 | 179.1° | 179.7° |
| C08 | C07 | N09 | O10 | 3.5° | 0.0° |
| C07 | C08 | H16 | H17 | 120.0° | 120.0° |
| C07 | C08 | H16 | H18 | 120.0° | 120.0° |
| C07 | C08 | H17 | H18 | 120.0° | 120.0° |
| C07 | N09 | O10 | C11 | 144.3° | 180.0° |
| N09 | C07 | C08 | H16 | 4.8° | 90.0° |
| N09 | C07 | C08 | H17 | 124.8° | 30.0° |
| N09 | C07 | C08 | H18 | 115.3° | 150.0° |
| C21 | C22 | O23 | C24 | 23.5° | 5.5° |
| C22 | O23 | C24 | C25 | 124.8° | 156.1° |
| C22 | O23 | C24 | C28 | 122.0° | 89.0° |
| O23 | C22 | C21 | H5 | 0.1° | 0.0° |
| C22 | O23 | C24 | H6 | 0.2° | 33.5° |
| C20 | N15 | C13 | C12 | 178.5° | 0.3° |
| N15 | C20 | C19 | H3 | 119.9° | 119.8° |
| N15 | C20 | C19 | H4 | 119.9° | 119.7° |
| C20 | N15 | C13 | O14 | 1.1° | 180.0° |
| N15 | C20 | H3 | H4 | 120.3° | 120.5° |
| C20 | N15 | C16 | H23 | 177.0° | 69.2° |
| C20 | N15 | C16 | H24 | 63.6° | 170.3° |
| N15 | C20 | C19 | H25 | 178.2° | 172.2° |
| N15 | C20 | C19 | H26 | 62.3° | 67.7° |
| N15 | C13 | C12 | C11 | 128.0° | 179.7° |
| N15 | C13 | C12 | O14 | 179.6° | 179.6° |
| C13 | N15 | C20 | C19 | 117.2° | 129.5° |
| C13 | N15 | C20 | H3 | 2.7° | 9.8° |
| C13 | N15 | C20 | H4 | 122.9° | 110.8° |
| N15 | C13 | C12 | H21 | 112.5° | 59.7° |
| N15 | C13 | C12 | H22 | 8.4° | 60.3° |
| C13 | N15 | C16 | H23 | 0.7° | 110.8° |
| C13 | N15 | C16 | H24 | 118.6° | 9.7° |
| C11 | C12 | C13 | H21 | 119.6° | 120.0° |
| C11 | C12 | C13 | H22 | 119.5° | 119.9° |
| C12 | C11 | O10 | N09 | 125.6° | 180.0° |
| C12 | C11 | O10 | H19 | 118.7° | 120.0° |
| C12 | C11 | O10 | H20 | 118.8° | 120.0° |
| C11 | C12 | C13 | O14 | 51.7° | 0.1° |
| C12 | C11 | H19 | H20 | 123.5° | 120.0° |
| C11 | C12 | H21 | H22 | 121.3° | 119.9° |
| C13 | C12 | C11 | O10 | 41.5° | 180.0° |
| C13 | C12 | C11 | H19 | 160.2° | 59.9° |
| C13 | C12 | C11 | H20 | 77.3° | 60.0° |
| C13 | C12 | H21 | H22 | 121.3° | 120.1° |
| C19 | C20 | H3 | H4 | 120.3° | 120.5° |
| C20 | C19 | H25 | H26 | 119.2° | 120.1° |
| N09 | O10 | C11 | H19 | 6.9° | 60.0° |
| N09 | O10 | C11 | H20 | 115.6° | 60.0° |
| O10 | C11 | H19 | H20 | 123.6° | 120.0° |
| O10 | C11 | C12 | H21 | 161.1° | 60.0° |
| O10 | C11 | C12 | H22 | 78.1° | 60.0° |
| O14 | C13 | C12 | H21 | 67.9° | 119.9° |
| O14 | C13 | C12 | H22 | 171.2° | 120.0° |
| O23 | C24 | C25 | C28 | 113.2° | 118.7° |
| O23 | C24 | C25 | H6 | 126.8° | 122.6° |
| O23 | C24 | C28 | H6 | 123.7° | 122.6° |
| O23 | C24 | C25 | C26 | 112.0° | 142.3° |
| O23 | C24 | C28 | C27 | 89.6° | 156.6° |
| O23 | C24 | C28 | H9 | 151.5° | 85.0° |
| O23 | C24 | C28 | H10 | 29.3° | 38.4° |
| O23 | C24 | C25 | H27 | 7.4° | 23.1° |
| O23 | C24 | C25 | H28 | 128.5° | 98.4° |
| C25 | C24 | C28 | H6 | 119.9° | 118.7° |
| C24 | C25 | C26 | H27 | 119.5° | 119.3° |
| C24 | C25 | C26 | H28 | 119.5° | 119.3° |
| C25 | C24 | C28 | C27 | 26.8° | 37.9° |
| C24 | C25 | C26 | C27 | 20.2° | 0.0° |
| C24 | C25 | C26 | H7 | 139.6° | 119.3° |
| C24 | C25 | C26 | H8 | 99.1° | 119.3° |
| C25 | C24 | C28 | H9 | 92.1° | 156.3° |
| C25 | C24 | C28 | H10 | 145.7° | 80.4° |
| C24 | C25 | H27 | H28 | 121.6° | 121.5° |
| C28 | C24 | C25 | C26 | 1.2° | 23.6° |
| C24 | C28 | C27 | H9 | 118.9° | 118.3° |
| C24 | C28 | C27 | H10 | 118.9° | 118.3° |
| C24 | C28 | C27 | C26 | 37.9° | 37.9° |
| C24 | C28 | H9 | H10 | 123.1° | 123.3° |
| C28 | C24 | C25 | H27 | 120.7° | 95.7° |
| C28 | C24 | C25 | H28 | 118.3° | 142.9° |
| C24 | C28 | C27 | H29 | 157.2° | 156.6° |
| C24 | C28 | C27 | H30 | 81.3° | 80.8° |
| C25 | C26 | C27 | C28 | 39.9° | 23.6° |
| C25 | C26 | C27 | H7 | 119.3° | 119.2° |
| C25 | C26 | C27 | H8 | 119.3° | 119.3° |
| C26 | C25 | C24 | H6 | 121.2° | 95.0° |
| C25 | C26 | H7 | H8 | 122.0° | 121.4° |
| C26 | C25 | H27 | H28 | 121.6° | 121.4° |
| C25 | C26 | C27 | H29 | 159.1° | 142.3° |
| C25 | C26 | C27 | H30 | 79.4° | 95.1° |
| C28 | C27 | C26 | H29 | 119.2° | 118.7° |
| C28 | C27 | C26 | H30 | 119.3° | 118.6° |
| C27 | C28 | C24 | H6 | 146.7° | 80.8° |
| C28 | C27 | C26 | H7 | 159.2° | 95.7° |
| C28 | C27 | C26 | H8 | 79.4° | 142.9° |
| C27 | C28 | H9 | H10 | 123.1° | 123.4° |
| C28 | C27 | H29 | H30 | 122.2° | 122.6° |
| C27 | C26 | H7 | H8 | 122.0° | 121.5° |
| C26 | C27 | C28 | H9 | 81.0° | 156.2° |
| C26 | C27 | C28 | H10 | 156.8° | 80.4° |
| C27 | C26 | C25 | H27 | 99.2° | 119.3° |
| C27 | C26 | C25 | H28 | 139.7° | 119.4° |
| C26 | C27 | H29 | H30 | 122.3° | 122.6° |
| H1 | C17 | C16 | H23 | 70.3° | 172.7° |
| H1 | C17 | C16 | H24 | 49.1° | 52.2° |
| H2 | C17 | C16 | H23 | 48.7° | 52.5° |
| H2 | C17 | C16 | H24 | 168.1° | 68.0° |
| H3 | C20 | C19 | H25 | 61.9° | 68.0° |
| H3 | C20 | C19 | H26 | 57.6° | 52.1° |
| H4 | C20 | C19 | H25 | 58.3° | 52.5° |
| H4 | C20 | C19 | H26 | 177.8° | 172.6° |
| H6 | C24 | C28 | H9 | 27.8° | 37.6° |
| H6 | C24 | C28 | H10 | 94.4° | 161.0° |
| H6 | C24 | C25 | H27 | 119.3° | 145.7° |
| H6 | C24 | C25 | H28 | 1.7° | 24.2° |
| H7 | C26 | C25 | H27 | 20.1° | 0.0° |
| H7 | C26 | C25 | H28 | 101.0° | 121.4° |
| H7 | C26 | C27 | H29 | 81.5° | 23.0° |
| H7 | C26 | C27 | H30 | 40.0° | 145.7° |
| H8 | C26 | C25 | H27 | 141.5° | 121.4° |
| H8 | C26 | C25 | H28 | 20.4° | 0.0° |
| H8 | C26 | C27 | H29 | 39.8° | 98.4° |
| H8 | C26 | C27 | H30 | 161.3° | 24.2° |
| H9 | C28 | C27 | H29 | 38.3° | 85.1° |
| H9 | C28 | C27 | H30 | 159.8° | 37.6° |
| H10 | C28 | C27 | H29 | 83.9° | 38.3° |
| H10 | C28 | C27 | H30 | 37.6° | 161.0° |
| H11 | C01 | H12 | H13 | 120.0° | 120.0° |
| H14 | C04 | C05 | H15 | 0.9° | 0.2° |
| H16 | C08 | H17 | H18 | 120.0° | 120.0° |
| H19 | C11 | C12 | H21 | 80.2° | 180.0° |
| H19 | C11 | C12 | H22 | 40.7° | 60.1° |
| H20 | C11 | C12 | H21 | 42.3° | 60.0° |
| H20 | C11 | C12 | H22 | 163.1° | 179.9° |
