OB5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O02 | C14 | sing | 1.36Å | 1.36Å | |
| C14 | C13 | doub | 1.39Å | 1.34Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.35Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.34Å | Aromatic |
| C12 | C10 | doub | 1.40Å | 1.35Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.35Å | Aromatic |
| C16 | C10 | sing | 1.40Å | 1.35Å | Aromatic |
| C10 | C08 | sing | 1.47Å | 1.36Å | |
| O01 | C02 | sing | 1.36Å | 1.36Å | |
| C01 | C02 | doub | 1.39Å | 1.34Å | Aromatic |
| C01 | C06 | sing | 1.38Å | 1.34Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.34Å | Aromatic |
| C08 | C07 | doub | 1.36Å | 1.36Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C06 | C05 | doub | 1.40Å | 1.35Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.34Å | Aromatic |
| C05 | C04 | sing | 1.40Å | 1.35Å | Aromatic |
| C05 | C07 | sing | 1.47Å | 1.35Å | |
| C07 | C11 | sing | 1.53Å | 1.52Å | |
| C09 | O03 | sing | 1.47Å | 1.40Å | |
| C09 | C18 | sing | 1.56Å | 1.54Å | |
| O03 | C11 | sing | 1.46Å | 1.41Å | |
| C11 | C17 | sing | 1.56Å | 1.53Å | |
| C20 | C26 | sing | 1.53Å | 1.54Å | |
| C20 | N01 | sing | 1.46Å | 1.50Å | |
| C18 | C17 | sing | 1.56Å | 1.54Å | |
| C18 | S01 | sing | 1.81Å | 1.86Å | |
| O05 | S01 | doub | 1.42Å | 1.46Å | |
| N01 | S01 | sing | 1.66Å | 1.69Å | |
| N01 | C19 | sing | 1.40Å | 1.28Å | |
| S01 | O04 | doub | 1.42Å | 1.46Å | |
| C21 | C19 | doub | 1.39Å | 1.35Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.34Å | Aromatic |
| C19 | C25 | sing | 1.39Å | 1.35Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.35Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.34Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.34Å | Aromatic |
| C23 | O06 | sing | 1.36Å | 1.37Å | |
| O06 | C27 | sing | 1.43Å | 1.41Å | |
| C01 | H1 | sing | 1.08Å | 1.08Å | |
| C03 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.08Å | 1.08Å | |
| O01 | H5 | sing | 0.97Å | 0.95Å | |
| C09 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| O02 | H12 | sing | 0.97Å | 0.95Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H19 | sing | 1.08Å | 1.08Å | |
| C24 | H20 | sing | 1.08Å | 1.08Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| C26 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O02 | C14 | C13 | 121.4° | 119.9° |
| O02 | C14 | C15 | 121.6° | 119.9° |
| C14 | O02 | H12 | 109.5° | 114.0° |
| C13 | C14 | C15 | 117.0° | 120.2° |
| C14 | C13 | C12 | 121.3° | 120.1° |
| C14 | C13 | H9 | 119.4° | 119.9° |
| C14 | C15 | C16 | 121.3° | 120.1° |
| C14 | C15 | H10 | 119.3° | 120.0° |
| C13 | C12 | C10 | 122.7° | 119.9° |
| C13 | C12 | H8 | 118.6° | 120.1° |
| C12 | C13 | H9 | 119.4° | 119.9° |
| C12 | C10 | C16 | 115.5° | 119.8° |
| C12 | C10 | C08 | 122.4° | 120.1° |
| C10 | C12 | H8 | 118.7° | 120.1° |
| C15 | C16 | C10 | 122.2° | 119.9° |
| C16 | C15 | H10 | 119.4° | 119.9° |
| C15 | C16 | H11 | 118.9° | 120.1° |
| C16 | C10 | C08 | 122.1° | 120.1° |
| C10 | C16 | H11 | 118.9° | 120.0° |
| C10 | C08 | C07 | 134.0° | 127.0° |
| C10 | C08 | C09 | 122.4° | 127.1° |
| O01 | C02 | C01 | 122.1° | 119.9° |
| O01 | C02 | C03 | 121.0° | 119.9° |
| C02 | O01 | H5 | 109.5° | 114.0° |
| C02 | C01 | C06 | 121.4° | 120.1° |
| C01 | C02 | C03 | 116.9° | 120.1° |
| C02 | C01 | H1 | 119.3° | 119.9° |
| C01 | C06 | C05 | 122.2° | 119.9° |
| C06 | C01 | H1 | 119.3° | 120.0° |
| C01 | C06 | H4 | 118.9° | 120.1° |
| C02 | C03 | C04 | 121.6° | 120.2° |
| C02 | C03 | H2 | 119.2° | 119.9° |
| C07 | C08 | C09 | 103.6° | 105.9° |
| C08 | C07 | C05 | 136.1° | 127.0° |
| C08 | C07 | C11 | 104.1° | 106.0° |
| C08 | C09 | O03 | 103.1° | 100.7° |
| C08 | C09 | C18 | 109.0° | 105.1° |
| C08 | C09 | H6 | 113.7° | 115.6° |
| C06 | C05 | C04 | 115.8° | 119.8° |
| C06 | C05 | C07 | 123.4° | 120.1° |
| C05 | C06 | H4 | 118.9° | 120.0° |
| C03 | C04 | C05 | 122.1° | 119.9° |
| C04 | C03 | H2 | 119.2° | 119.9° |
| C03 | C04 | H3 | 118.9° | 120.1° |
| C04 | C05 | C07 | 120.7° | 120.1° |
| C05 | C04 | H3 | 119.0° | 120.1° |
| C05 | C07 | C11 | 119.7° | 127.0° |
| C07 | C11 | O03 | 102.8° | 100.8° |
| C07 | C11 | C17 | 103.4° | 105.1° |
| C07 | C11 | H7 | 114.1° | 115.6° |
| O03 | C09 | C18 | 99.8° | 101.1° |
| C09 | O03 | C11 | 96.0° | 97.2° |
| O03 | C09 | H6 | 116.1° | 116.0° |
| C09 | C18 | C17 | 100.6° | 101.7° |
| C09 | C18 | S01 | 114.9° | 110.9° |
| C18 | C09 | H6 | 113.7° | 116.1° |
| C09 | C18 | H15 | 110.4° | 110.9° |
| O03 | C11 | C17 | 104.8° | 100.9° |
| O03 | C11 | H7 | 116.2° | 116.6° |
| C11 | C17 | C18 | 99.3° | 101.9° |
| C17 | C11 | H7 | 114.0° | 115.6° |
| C11 | C17 | H13 | 112.0° | 110.9° |
| C11 | C17 | H14 | 112.0° | 111.0° |
| C26 | C20 | N01 | 113.9° | 109.5° |
| C26 | C20 | H16 | 108.4° | 109.5° |
| C26 | C20 | H17 | 108.4° | 109.5° |
| C20 | C26 | H22 | 109.5° | 109.5° |
| C20 | C26 | H23 | 109.5° | 109.5° |
| C20 | C26 | H24 | 109.5° | 109.5° |
| C20 | N01 | S01 | 117.6° | 120.0° |
| C20 | N01 | C19 | 119.3° | 120.0° |
| N01 | C20 | H16 | 108.3° | 109.5° |
| N01 | C20 | H17 | 108.3° | 109.5° |
| C17 | C18 | S01 | 113.9° | 110.8° |
| C18 | C17 | H13 | 112.0° | 111.1° |
| C18 | C17 | H14 | 112.0° | 110.8° |
| C17 | C18 | H15 | 110.3° | 111.3° |
| C18 | S01 | O05 | 93.1° | 110.6° |
| C18 | S01 | N01 | 107.5° | 104.4° |
| C18 | S01 | O04 | 92.5° | 110.5° |
| S01 | C18 | H15 | 106.7° | 110.9° |
| O05 | S01 | N01 | 116.7° | 104.3° |
| O05 | S01 | O04 | 120.5° | 121.0° |
| S01 | N01 | C19 | 123.1° | 120.0° |
| N01 | S01 | O04 | 117.6° | 104.3° |
| N01 | C19 | C21 | 126.2° | 120.0° |
| N01 | C19 | C25 | 119.8° | 120.0° |
| C19 | C21 | C22 | 122.7° | 119.9° |
| C21 | C19 | C25 | 114.0° | 120.0° |
| C19 | C21 | H18 | 118.7° | 120.0° |
| C21 | C22 | C23 | 122.9° | 120.1° |
| C22 | C21 | H18 | 118.7° | 120.1° |
| C21 | C22 | H19 | 118.6° | 120.0° |
| C19 | C25 | C24 | 123.5° | 120.0° |
| C19 | C25 | H21 | 118.3° | 120.1° |
| C22 | C23 | C24 | 114.9° | 120.0° |
| C22 | C23 | O06 | 119.4° | 120.0° |
| C23 | C22 | H19 | 118.5° | 119.9° |
| C25 | C24 | C23 | 122.1° | 120.0° |
| C25 | C24 | H20 | 119.0° | 120.0° |
| C24 | C25 | H21 | 118.2° | 120.0° |
| C24 | C23 | O06 | 125.7° | 120.0° |
| C23 | C24 | H20 | 119.0° | 119.9° |
| C23 | O06 | C27 | 118.3° | 117.0° |
| O06 | C27 | H25 | 109.5° | 109.5° |
| O06 | C27 | H26 | 109.5° | 109.4° |
| O06 | C27 | H27 | 109.5° | 109.4° |
| H13 | C17 | H14 | 109.4° | 110.8° |
| H16 | C20 | H17 | 109.5° | 109.4° |
| H22 | C26 | H23 | 109.5° | 109.5° |
| H22 | C26 | H24 | 109.4° | 109.4° |
| H23 | C26 | H24 | 109.5° | 109.5° |
| H25 | C27 | H26 | 109.4° | 109.5° |
| H25 | C27 | H27 | 109.5° | 109.5° |
| H26 | C27 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O02 | C14 | C13 | C15 | 179.9° | 180.0° |
| O02 | C14 | C13 | C12 | 180.0° | 180.0° |
| O02 | C14 | C15 | C16 | 180.0° | 179.7° |
| O02 | C14 | C13 | H9 | 0.0° | 0.0° |
| O02 | C14 | C15 | H10 | 0.1° | 0.0° |
| C14 | C13 | C12 | H9 | 180.0° | 180.0° |
| C14 | C13 | C12 | C10 | 0.3° | 0.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.3° |
| C14 | C13 | C12 | H8 | 179.6° | 180.0° |
| C13 | C14 | C15 | H10 | 179.9° | 180.0° |
| C13 | C14 | O02 | H12 | 180.0° | 90.0° |
| C15 | C14 | C13 | C12 | 0.1° | 0.0° |
| C14 | C15 | C16 | H10 | 180.0° | 179.7° |
| C14 | C15 | C16 | C10 | 0.4° | 0.6° |
| C15 | C14 | C13 | H9 | 180.0° | 180.0° |
| C14 | C15 | C16 | H11 | 179.6° | 180.0° |
| C15 | C14 | O02 | H12 | 0.1° | 90.0° |
| C13 | C12 | C10 | H8 | 180.0° | 179.9° |
| C13 | C12 | C10 | C16 | 0.6° | 0.3° |
| C13 | C12 | C10 | C08 | 179.3° | 180.0° |
| C12 | C10 | C16 | C15 | 0.6° | 0.6° |
| C12 | C10 | C16 | C08 | 178.8° | 179.6° |
| C12 | C10 | C08 | C07 | 31.9° | 65.1° |
| C12 | C10 | C08 | C09 | 145.7° | 115.0° |
| C10 | C12 | C13 | H9 | 179.7° | 180.0° |
| C12 | C10 | C16 | H11 | 179.4° | 180.0° |
| C15 | C16 | C10 | H11 | 180.0° | 179.4° |
| C15 | C16 | C10 | C08 | 179.4° | 179.7° |
| C16 | C10 | C08 | C07 | 149.4° | 115.3° |
| C16 | C10 | C08 | C09 | 32.9° | 64.6° |
| C16 | C10 | C12 | H8 | 179.4° | 179.7° |
| C10 | C16 | C15 | H10 | 179.6° | 179.7° |
| C10 | C08 | C07 | C09 | 177.9° | 179.9° |
| C10 | C08 | C07 | C05 | 4.4° | 0.1° |
| C10 | C08 | C07 | C11 | 179.0° | 179.8° |
| C10 | C08 | C09 | O03 | 146.4° | 147.9° |
| C10 | C08 | C09 | C18 | 108.2° | 107.4° |
| C10 | C08 | C09 | H6 | 19.8° | 22.1° |
| C08 | C10 | C12 | H8 | 0.6° | 0.1° |
| C08 | C10 | C16 | H11 | 0.6° | 0.4° |
| O01 | C02 | C01 | C03 | 180.0° | 180.0° |
| O01 | C02 | C01 | C06 | 179.7° | 180.0° |
| O01 | C02 | C03 | C04 | 179.9° | 180.0° |
| O01 | C02 | C01 | H1 | 0.3° | 0.3° |
| O01 | C02 | C03 | H2 | 0.2° | 0.0° |
| C02 | C01 | C06 | H1 | 180.0° | 179.7° |
| C02 | C01 | C06 | C05 | 0.6° | 0.0° |
| C01 | C02 | C03 | C04 | 0.1° | 0.0° |
| C01 | C02 | C03 | H2 | 179.9° | 180.0° |
| C02 | C01 | C06 | H4 | 179.4° | 180.0° |
| C01 | C02 | O01 | H5 | 180.0° | 90.0° |
| C06 | C01 | C02 | C03 | 0.2° | 0.0° |
| C01 | C06 | C05 | H4 | 180.0° | 180.0° |
| C01 | C06 | C05 | C04 | 1.4° | 0.0° |
| C01 | C06 | C05 | C07 | 178.2° | 180.0° |
| C02 | C03 | C04 | H2 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.9° | 0.0° |
| C03 | C02 | C01 | H1 | 179.8° | 179.7° |
| C02 | C03 | C04 | H3 | 179.2° | 179.9° |
| C03 | C02 | O01 | H5 | 0.1° | 90.1° |
| C08 | C07 | C05 | C06 | 41.3° | 114.7° |
| C08 | C07 | C05 | C04 | 142.1° | 65.3° |
| C08 | C07 | C05 | C11 | 176.2° | 179.6° |
| C07 | C08 | C09 | O03 | 31.9° | 32.2° |
| C07 | C08 | C09 | C18 | 73.5° | 72.5° |
| C08 | C07 | C11 | O03 | 33.5° | 31.8° |
| C08 | C07 | C11 | C17 | 75.4° | 72.8° |
| C07 | C08 | C09 | H6 | 158.5° | 158.0° |
| C08 | C07 | C11 | H7 | 160.2° | 158.4° |
| C09 | C08 | C07 | C05 | 177.6° | 180.0° |
| C09 | C08 | C07 | C11 | 1.0° | 0.3° |
| C08 | C09 | O03 | C18 | 112.3° | 107.9° |
| C08 | C09 | O03 | H6 | 125.1° | 125.6° |
| C08 | C09 | C18 | H6 | 128.0° | 129.2° |
| C08 | C09 | O03 | C11 | 51.2° | 50.4° |
| C08 | C09 | C18 | C17 | 63.8° | 69.9° |
| C08 | C09 | C18 | S01 | 173.4° | 172.2° |
| C08 | C09 | C18 | H15 | 52.7° | 48.5° |
| C06 | C05 | C04 | C03 | 1.6° | 0.0° |
| C06 | C05 | C04 | C07 | 176.9° | 180.0° |
| C06 | C05 | C07 | C11 | 134.9° | 64.9° |
| C05 | C06 | C01 | H1 | 179.4° | 179.7° |
| C06 | C05 | C04 | H3 | 178.5° | 179.9° |
| C03 | C04 | C05 | H3 | 180.0° | 179.9° |
| C03 | C04 | C05 | C07 | 178.5° | 180.0° |
| C04 | C05 | C07 | C11 | 41.7° | 115.1° |
| C05 | C04 | C03 | H2 | 179.2° | 180.0° |
| C04 | C05 | C06 | H4 | 178.5° | 180.0° |
| C05 | C07 | C11 | O03 | 149.2° | 147.9° |
| C05 | C07 | C11 | C17 | 101.9° | 107.5° |
| C07 | C05 | C04 | H3 | 1.6° | 0.1° |
| C07 | C05 | C06 | H4 | 1.7° | 0.0° |
| C05 | C07 | C11 | H7 | 22.5° | 21.3° |
| C07 | C11 | O03 | C09 | 51.9° | 50.3° |
| C07 | C11 | O03 | C17 | 107.8° | 107.9° |
| C07 | C11 | O03 | H7 | 125.4° | 126.0° |
| C07 | C11 | C17 | H7 | 124.5° | 128.8° |
| C07 | C11 | C17 | C18 | 80.3° | 69.5° |
| C07 | C11 | C17 | H13 | 161.4° | 172.2° |
| C07 | C11 | C17 | H14 | 38.1° | 48.6° |
| O03 | C09 | C18 | H6 | 124.4° | 126.4° |
| C09 | O03 | C11 | C17 | 55.9° | 57.6° |
| O03 | C09 | C18 | C17 | 43.9° | 34.5° |
| O03 | C09 | C18 | S01 | 78.9° | 83.4° |
| C09 | O03 | C11 | H7 | 177.2° | 176.3° |
| O03 | C09 | C18 | H15 | 160.4° | 152.9° |
| C18 | C09 | O03 | C11 | 61.1° | 57.5° |
| C09 | C18 | C17 | C11 | 9.6° | 0.3° |
| C09 | C18 | C17 | S01 | 123.5° | 118.0° |
| C09 | C18 | C17 | H15 | 116.5° | 118.2° |
| C09 | C18 | S01 | H15 | 122.7° | 123.7° |
| C09 | C18 | S01 | O05 | 78.2° | 69.3° |
| C09 | C18 | S01 | N01 | 41.0° | 179.0° |
| C09 | C18 | S01 | O04 | 161.1° | 67.5° |
| C09 | C18 | C17 | H13 | 128.0° | 118.0° |
| C09 | C18 | C17 | H14 | 108.7° | 118.4° |
| O03 | C11 | C17 | H7 | 128.2° | 126.7° |
| O03 | C11 | C17 | C18 | 27.1° | 35.0° |
| C11 | O03 | C09 | H6 | 176.3° | 176.0° |
| O03 | C11 | C17 | H13 | 91.2° | 83.3° |
| O03 | C11 | C17 | H14 | 145.4° | 153.1° |
| C11 | C17 | C18 | H13 | 118.3° | 118.2° |
| C11 | C17 | C18 | H14 | 118.3° | 118.1° |
| C11 | C17 | C18 | S01 | 113.8° | 118.2° |
| C11 | C17 | H13 | H14 | 124.7° | 123.7° |
| C11 | C17 | C18 | H15 | 126.2° | 117.9° |
| C26 | C20 | N01 | H16 | 120.7° | 120.0° |
| C26 | C20 | N01 | H17 | 120.7° | 120.0° |
| C26 | C20 | N01 | S01 | 111.2° | 113.4° |
| C26 | C20 | N01 | C19 | 68.9° | 66.7° |
| C26 | C20 | H16 | H17 | 118.0° | 120.0° |
| C20 | C26 | H22 | H23 | 120.0° | 120.1° |
| C20 | C26 | H22 | H24 | 120.0° | 120.0° |
| C20 | C26 | H23 | H24 | 120.0° | 120.0° |
| C20 | N01 | S01 | C18 | 91.8° | 95.9° |
| C20 | N01 | S01 | O05 | 11.1° | 20.2° |
| C20 | N01 | S01 | C19 | 179.9° | 179.9° |
| C20 | N01 | S01 | O04 | 165.7° | 148.1° |
| C20 | N01 | C19 | C21 | 49.6° | 155.3° |
| C20 | N01 | C19 | C25 | 130.7° | 25.0° |
| N01 | C20 | H16 | H17 | 117.9° | 120.0° |
| N01 | C20 | C26 | H22 | 180.0° | 64.9° |
| N01 | C20 | C26 | H23 | 60.0° | 55.2° |
| N01 | C20 | C26 | H24 | 60.0° | 175.2° |
| C17 | C18 | S01 | H15 | 122.0° | 124.1° |
| C17 | C18 | S01 | O05 | 166.4° | 42.9° |
| C17 | C18 | S01 | N01 | 74.3° | 68.8° |
| C17 | C18 | S01 | O04 | 45.7° | 179.7° |
| C17 | C18 | C09 | H6 | 168.2° | 160.9° |
| C18 | C17 | C11 | H7 | 155.3° | 161.8° |
| C18 | C17 | H13 | H14 | 124.7° | 123.6° |
| C18 | S01 | O05 | N01 | 111.4° | 111.7° |
| C18 | S01 | O05 | O04 | 94.8° | 131.5° |
| C18 | S01 | N01 | O04 | 102.6° | 116.0° |
| C18 | S01 | N01 | C19 | 88.1° | 84.2° |
| S01 | C18 | C09 | H6 | 45.4° | 43.0° |
| S01 | C18 | C17 | H13 | 4.5° | 0.0° |
| S01 | C18 | C17 | H14 | 127.8° | 123.6° |
| O05 | S01 | N01 | O04 | 154.6° | 127.9° |
| O05 | S01 | N01 | C19 | 169.1° | 159.7° |
| O05 | S01 | C18 | H15 | 44.5° | 167.0° |
| S01 | N01 | C19 | C21 | 130.3° | 24.8° |
| S01 | N01 | C19 | C25 | 49.4° | 155.0° |
| N01 | S01 | C18 | H15 | 163.7° | 55.3° |
| S01 | N01 | C20 | H16 | 128.1° | 126.6° |
| S01 | N01 | C20 | H17 | 9.4° | 6.6° |
| C19 | N01 | S01 | O04 | 14.5° | 31.8° |
| N01 | C19 | C21 | C25 | 179.7° | 179.7° |
| N01 | C19 | C21 | C22 | 179.7° | 180.0° |
| N01 | C19 | C25 | C24 | 179.9° | 179.8° |
| C19 | N01 | C20 | H16 | 51.8° | 53.3° |
| C19 | N01 | C20 | H17 | 170.4° | 173.3° |
| N01 | C19 | C21 | H18 | 0.3° | 0.0° |
| N01 | C19 | C25 | H21 | 0.1° | 0.0° |
| O04 | S01 | C18 | H15 | 76.2° | 56.3° |
| C19 | C21 | C22 | H18 | 180.0° | 180.0° |
| C19 | C21 | C22 | C23 | 0.1° | 0.0° |
| C21 | C19 | C25 | C24 | 0.2° | 0.5° |
| C19 | C21 | C22 | H19 | 179.9° | 180.0° |
| C21 | C19 | C25 | H21 | 179.8° | 179.8° |
| C22 | C21 | C19 | C25 | 0.0° | 0.2° |
| C21 | C22 | C23 | H19 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.1° | 0.0° |
| C21 | C22 | C23 | O06 | 180.0° | 180.0° |
| C19 | C25 | C24 | H21 | 180.0° | 179.7° |
| C19 | C25 | C24 | C23 | 0.2° | 0.5° |
| C25 | C19 | C21 | H18 | 180.0° | 179.8° |
| C19 | C25 | C24 | H20 | 179.8° | 179.7° |
| C22 | C23 | C24 | C25 | 0.1° | 0.2° |
| C22 | C23 | C24 | O06 | 179.9° | 180.0° |
| C22 | C23 | O06 | C27 | 77.0° | 180.0° |
| C23 | C22 | C21 | H18 | 179.9° | 180.0° |
| C22 | C23 | C24 | H20 | 179.9° | 179.9° |
| C25 | C24 | C23 | H20 | 180.0° | 179.8° |
| C25 | C24 | C23 | O06 | 179.9° | 179.7° |
| C24 | C23 | O06 | C27 | 103.0° | 0.0° |
| C24 | C23 | C22 | H19 | 179.9° | 180.0° |
| C23 | C24 | C25 | H21 | 179.8° | 179.8° |
| O06 | C23 | C22 | H19 | 0.0° | 0.0° |
| O06 | C23 | C24 | H20 | 0.1° | 0.1° |
| C23 | O06 | C27 | H25 | 180.0° | 180.0° |
| C23 | O06 | C27 | H26 | 60.0° | 60.0° |
| C23 | O06 | C27 | H27 | 60.0° | 60.0° |
| O06 | C27 | H25 | H26 | 120.0° | 120.0° |
| O06 | C27 | H25 | H27 | 120.0° | 120.0° |
| O06 | C27 | H26 | H27 | 120.0° | 119.9° |
| H1 | C01 | C06 | H4 | 0.6° | 0.3° |
| H2 | C03 | C04 | H3 | 0.8° | 0.1° |
| H6 | C09 | C18 | H15 | 75.3° | 80.7° |
| H7 | C11 | C17 | H13 | 37.0° | 43.4° |
| H7 | C11 | C17 | H14 | 86.4° | 80.2° |
| H8 | C12 | C13 | H9 | 0.3° | 0.1° |
| H10 | C15 | C16 | H11 | 0.4° | 0.3° |
| H13 | C17 | C18 | H15 | 115.5° | 123.9° |
| H14 | C17 | C18 | H15 | 7.9° | 0.2° |
| H16 | C20 | C26 | H22 | 59.4° | 175.1° |
| H16 | C20 | C26 | H23 | 60.7° | 64.9° |
| H16 | C20 | C26 | H24 | 179.3° | 55.1° |
| H17 | C20 | C26 | H22 | 59.3° | 55.1° |
| H17 | C20 | C26 | H23 | 179.4° | 175.2° |
| H17 | C20 | C26 | H24 | 60.7° | 64.8° |
| H18 | C21 | C22 | H19 | 0.1° | 0.0° |
| H20 | C24 | C25 | H21 | 0.2° | 0.1° |
| H22 | C26 | H23 | H24 | 120.0° | 120.0° |
| H25 | C27 | H26 | H27 | 120.0° | 120.0° |
