ER5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| O39 | S37 | doub | 1.42Å | 1.45Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| O38 | S37 | doub | 1.42Å | 1.43Å | |
| S37 | N40 | sing | 1.66Å | 1.60Å | |
| S37 | C7 | sing | 1.76Å | 1.62Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C29 | C28 | sing | 1.53Å | 1.52Å | |
| C29 | C18 | sing | 1.53Å | 1.54Å | |
| C7 | C12 | doub | 1.38Å | 1.49Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.50Å | Aromatic |
| N16 | C18 | sing | 1.47Å | 1.47Å | |
| N16 | C8 | sing | 1.40Å | 1.35Å | |
| F13 | C12 | sing | 1.35Å | 1.32Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C12 | C11 | sing | 1.38Å | 1.46Å | Aromatic |
| C8 | C9 | doub | 1.39Å | 1.48Å | Aromatic |
| C11 | F14 | sing | 1.35Å | 1.34Å | |
| C11 | C10 | doub | 1.39Å | 1.46Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.47Å | Aromatic |
| C9 | F15 | sing | 1.35Å | 1.33Å | |
| C10 | S30 | sing | 1.76Å | 1.68Å | |
| C32 | C31 | sing | 1.53Å | 1.55Å | |
| C32 | C33 | sing | 1.51Å | 1.51Å | |
| C31 | S30 | sing | 1.81Å | 1.80Å | |
| C38 | C33 | doub | 1.38Å | 1.41Å | Aromatic |
| C38 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| C37 | C36 | doub | 1.40Å | 1.41Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C36 | C35 | sing | 1.40Å | 1.41Å | Aromatic |
| C36 | C39 | sing | 1.48Å | 1.50Å | |
| C39 | O40 | doub | 1.22Å | 1.23Å | |
| C39 | O41 | sing | 1.35Å | 1.33Å | |
| C31 | H1 | sing | 1.09Å | 1.10Å | |
| C31 | H2 | sing | 1.09Å | 1.10Å | |
| C32 | H3 | sing | 1.09Å | 1.10Å | |
| C32 | H4 | sing | 1.09Å | 1.10Å | |
| C34 | H5 | sing | 1.08Å | 1.08Å | |
| C35 | H6 | sing | 1.08Å | 1.08Å | |
| O41 | H7 | sing | 0.97Å | 0.95Å | |
| C37 | H8 | sing | 1.08Å | 1.08Å | |
| C38 | H9 | sing | 1.08Å | 1.08Å | |
| N40 | H10 | sing | 0.97Å | 1.00Å | |
| N40 | H11 | sing | 0.97Å | 1.00Å | |
| N16 | H12 | sing | 1.01Å | 1.00Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C26 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H29 | sing | 1.09Å | 1.10Å | |
| C27 | H30 | sing | 1.09Å | 1.10Å | |
| C27 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H32 | sing | 1.09Å | 1.10Å | |
| C28 | H33 | sing | 1.09Å | 1.10Å | |
| C29 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C24 | C23 | 113.6° | 109.5° |
| C24 | C25 | C26 | 113.6° | 109.5° |
| C25 | C24 | H24 | 108.4° | 109.4° |
| C25 | C24 | H25 | 108.4° | 109.4° |
| C24 | C25 | H26 | 108.4° | 109.5° |
| C24 | C25 | H27 | 108.4° | 109.4° |
| C24 | C23 | C22 | 110.7° | 109.4° |
| C24 | C23 | H22 | 109.2° | 109.5° |
| C24 | C23 | H23 | 109.2° | 109.5° |
| C23 | C24 | H24 | 108.4° | 109.5° |
| C23 | C24 | H25 | 108.4° | 109.5° |
| C25 | C26 | C27 | 111.7° | 109.5° |
| C26 | C25 | H26 | 108.4° | 109.5° |
| C26 | C25 | H27 | 108.4° | 109.4° |
| C25 | C26 | H28 | 108.9° | 109.5° |
| C25 | C26 | H29 | 108.9° | 109.4° |
| C23 | C22 | C21 | 112.6° | 109.5° |
| C23 | C22 | H20 | 108.7° | 109.5° |
| C23 | C22 | H21 | 108.7° | 109.5° |
| C22 | C23 | H22 | 109.2° | 109.4° |
| C22 | C23 | H23 | 109.1° | 109.4° |
| O39 | S37 | O38 | 108.0° | 123.2° |
| O39 | S37 | N40 | 110.6° | 106.4° |
| O39 | S37 | C7 | 108.0° | 106.4° |
| C26 | C27 | C28 | 110.8° | 109.5° |
| C27 | C26 | H28 | 108.9° | 109.5° |
| C27 | C26 | H29 | 108.9° | 109.5° |
| C26 | C27 | H30 | 109.1° | 109.4° |
| C26 | C27 | H31 | 109.1° | 109.4° |
| O38 | S37 | N40 | 107.9° | 106.4° |
| O38 | S37 | C7 | 114.0° | 106.4° |
| N40 | S37 | C7 | 108.4° | 107.2° |
| S37 | N40 | H10 | 109.5° | 120.0° |
| S37 | N40 | H11 | 109.4° | 119.9° |
| S37 | C7 | C12 | 117.5° | 120.0° |
| S37 | C7 | C8 | 124.5° | 120.0° |
| C27 | C28 | C29 | 111.9° | 109.4° |
| C28 | C27 | H30 | 109.2° | 109.5° |
| C28 | C27 | H31 | 109.2° | 109.5° |
| C27 | C28 | H32 | 108.9° | 109.5° |
| C27 | C28 | H33 | 108.9° | 109.5° |
| C22 | C21 | C20 | 115.2° | 109.5° |
| C22 | C21 | H18 | 108.0° | 109.5° |
| C22 | C21 | H19 | 108.0° | 109.4° |
| C21 | C22 | H20 | 108.7° | 109.5° |
| C21 | C22 | H21 | 108.7° | 109.4° |
| C21 | C20 | C19 | 115.2° | 109.5° |
| C21 | C20 | H16 | 108.0° | 109.5° |
| C21 | C20 | H17 | 108.0° | 109.5° |
| C20 | C21 | H18 | 108.0° | 109.5° |
| C20 | C21 | H19 | 108.0° | 109.5° |
| C20 | C19 | C18 | 123.0° | 109.5° |
| C20 | C19 | H14 | 106.0° | 109.5° |
| C20 | C19 | H15 | 106.0° | 109.5° |
| C19 | C20 | H16 | 108.0° | 109.4° |
| C19 | C20 | H17 | 108.0° | 109.5° |
| C28 | C29 | C18 | 110.9° | 109.4° |
| C29 | C28 | H32 | 108.9° | 109.5° |
| C29 | C28 | H33 | 108.9° | 109.5° |
| C28 | C29 | H34 | 109.1° | 109.5° |
| C28 | C29 | H35 | 109.1° | 109.4° |
| C29 | C18 | N16 | 103.6° | 109.5° |
| C29 | C18 | C19 | 116.7° | 109.4° |
| C29 | C18 | H13 | 107.4° | 109.5° |
| C18 | C29 | H34 | 109.1° | 109.5° |
| C18 | C29 | H35 | 109.1° | 109.5° |
| C12 | C7 | C8 | 118.0° | 120.0° |
| C7 | C12 | F13 | 122.6° | 119.9° |
| C7 | C12 | C11 | 122.2° | 120.1° |
| C7 | C8 | N16 | 119.5° | 120.0° |
| C7 | C8 | C9 | 119.0° | 120.0° |
| C18 | N16 | C8 | 121.8° | 111.0° |
| N16 | C18 | C19 | 113.2° | 109.5° |
| C18 | N16 | H12 | 106.3° | 111.0° |
| N16 | C18 | H13 | 108.2° | 109.5° |
| N16 | C8 | C9 | 121.0° | 120.0° |
| C8 | N16 | H12 | 106.3° | 111.0° |
| F13 | C12 | C11 | 115.2° | 120.0° |
| C19 | C18 | H13 | 107.3° | 109.5° |
| C18 | C19 | H14 | 106.0° | 109.5° |
| C18 | C19 | H15 | 106.0° | 109.5° |
| C12 | C11 | F14 | 120.4° | 120.0° |
| C12 | C11 | C10 | 119.4° | 120.0° |
| C8 | C9 | C10 | 121.2° | 119.9° |
| C8 | C9 | F15 | 121.0° | 120.1° |
| F14 | C11 | C10 | 120.2° | 120.0° |
| C11 | C10 | C9 | 120.1° | 119.9° |
| C11 | C10 | S30 | 117.8° | 120.1° |
| C10 | C9 | F15 | 117.8° | 120.1° |
| C9 | C10 | S30 | 122.0° | 120.0° |
| C10 | S30 | C31 | 103.0° | 103.0° |
| C31 | C32 | C33 | 110.0° | 109.4° |
| C32 | C31 | S30 | 119.2° | 109.4° |
| C32 | C31 | H1 | 107.0° | 109.5° |
| C32 | C31 | H2 | 107.0° | 109.5° |
| C31 | C32 | H3 | 109.3° | 109.5° |
| C31 | C32 | H4 | 109.3° | 109.5° |
| C32 | C33 | C38 | 120.2° | 119.9° |
| C32 | C33 | C34 | 119.6° | 119.9° |
| C33 | C32 | H3 | 109.4° | 109.5° |
| C33 | C32 | H4 | 109.3° | 109.5° |
| S30 | C31 | H1 | 107.0° | 109.5° |
| S30 | C31 | H2 | 107.0° | 109.5° |
| C33 | C38 | C37 | 120.4° | 120.2° |
| C38 | C33 | C34 | 120.2° | 120.3° |
| C33 | C38 | H9 | 119.8° | 119.9° |
| C38 | C37 | C36 | 119.5° | 119.8° |
| C38 | C37 | H8 | 120.2° | 120.1° |
| C37 | C38 | H9 | 119.8° | 119.9° |
| C33 | C34 | C35 | 119.6° | 120.2° |
| C33 | C34 | H5 | 120.2° | 119.9° |
| C37 | C36 | C35 | 119.9° | 119.7° |
| C37 | C36 | C39 | 120.5° | 120.1° |
| C36 | C37 | H8 | 120.2° | 120.1° |
| C34 | C35 | C36 | 120.4° | 119.8° |
| C35 | C34 | H5 | 120.2° | 119.9° |
| C34 | C35 | H6 | 119.8° | 120.1° |
| C35 | C36 | C39 | 119.6° | 120.2° |
| C36 | C35 | H6 | 119.8° | 120.1° |
| C36 | C39 | O40 | 121.6° | 120.0° |
| C36 | C39 | O41 | 118.7° | 120.0° |
| O40 | C39 | O41 | 119.5° | 120.0° |
| C39 | O41 | H7 | 109.5° | 117.0° |
| H1 | C31 | H2 | 109.5° | 109.5° |
| H3 | C32 | H4 | 109.5° | 109.5° |
| H10 | N40 | H11 | 109.4° | 120.1° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H16 | C20 | H17 | 109.5° | 109.5° |
| H18 | C21 | H19 | 109.5° | 109.4° |
| H20 | C22 | H21 | 109.5° | 109.5° |
| H22 | C23 | H23 | 109.5° | 109.5° |
| H24 | C24 | H25 | 109.5° | 109.4° |
| H26 | C25 | H27 | 109.4° | 109.4° |
| H28 | C26 | H29 | 109.4° | 109.4° |
| H30 | C27 | H31 | 109.5° | 109.5° |
| H32 | C28 | H33 | 109.5° | 109.5° |
| H34 | C29 | H35 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C24 | C23 | H24 | 120.6° | 120.0° |
| C25 | C24 | C23 | H25 | 120.6° | 120.0° |
| C24 | C25 | C26 | H26 | 120.6° | 120.1° |
| C24 | C25 | C26 | H27 | 120.6° | 120.0° |
| C25 | C24 | C23 | C22 | 92.0° | 126.8° |
| C24 | C25 | C26 | C27 | 139.8° | 126.7° |
| C25 | C24 | C23 | H22 | 28.1° | 113.3° |
| C25 | C24 | C23 | H23 | 147.8° | 6.8° |
| C25 | C24 | H24 | H25 | 118.1° | 119.9° |
| C24 | C25 | H26 | H27 | 118.1° | 119.9° |
| C24 | C25 | C26 | H28 | 19.5° | 6.6° |
| C24 | C25 | C26 | H29 | 99.8° | 113.3° |
| C23 | C24 | C25 | C26 | 102.5° | 126.7° |
| C24 | C23 | C22 | H22 | 120.2° | 120.0° |
| C24 | C23 | C22 | H23 | 120.2° | 120.0° |
| C24 | C23 | C22 | C21 | 171.8° | 126.8° |
| C24 | C23 | C22 | H20 | 67.7° | 6.7° |
| C24 | C23 | C22 | H21 | 51.4° | 113.3° |
| C24 | C23 | H22 | H23 | 119.5° | 120.1° |
| C23 | C24 | H24 | H25 | 118.1° | 120.1° |
| C23 | C24 | C25 | H26 | 136.9° | 113.2° |
| C23 | C24 | C25 | H27 | 18.1° | 6.7° |
| C25 | C26 | C27 | H28 | 120.3° | 120.0° |
| C25 | C26 | C27 | H29 | 120.4° | 120.0° |
| C25 | C26 | C27 | C28 | 94.2° | 126.8° |
| C26 | C25 | C24 | H24 | 136.9° | 6.6° |
| C26 | C25 | C24 | H25 | 18.1° | 113.3° |
| C26 | C25 | H26 | H27 | 118.1° | 120.0° |
| C25 | C26 | H28 | H29 | 119.0° | 119.9° |
| C25 | C26 | C27 | H30 | 145.5° | 113.2° |
| C25 | C26 | C27 | H31 | 26.0° | 6.7° |
| C23 | C22 | C21 | H20 | 120.5° | 120.0° |
| C23 | C22 | C21 | H21 | 120.5° | 119.9° |
| C23 | C22 | C21 | C20 | 66.6° | 126.7° |
| C23 | C22 | C21 | H18 | 54.3° | 113.2° |
| C23 | C22 | C21 | H19 | 172.6° | 6.7° |
| C23 | C22 | H20 | H21 | 118.6° | 120.0° |
| C22 | C23 | H22 | H23 | 119.4° | 119.9° |
| C22 | C23 | C24 | H24 | 147.4° | 6.8° |
| C22 | C23 | C24 | H25 | 28.6° | 113.3° |
| O39 | S37 | O38 | N40 | 119.5° | 123.0° |
| O39 | S37 | O38 | C7 | 120.0° | 122.9° |
| O39 | S37 | N40 | C7 | 118.2° | 113.5° |
| O39 | S37 | C7 | C12 | 72.3° | 164.1° |
| O39 | S37 | C7 | C8 | 108.0° | 16.1° |
| O39 | S37 | N40 | H10 | 180.0° | 113.5° |
| O39 | S37 | N40 | H11 | 60.0° | 66.6° |
| C26 | C27 | C28 | H30 | 120.2° | 120.0° |
| C26 | C27 | C28 | H31 | 120.2° | 120.0° |
| C26 | C27 | C28 | C29 | 85.4° | 126.7° |
| C27 | C26 | C25 | H26 | 99.6° | 113.3° |
| C27 | C26 | C25 | H27 | 19.2° | 6.7° |
| C27 | C26 | H28 | H29 | 119.0° | 120.0° |
| C26 | C27 | H30 | H31 | 119.3° | 119.9° |
| C26 | C27 | C28 | H32 | 35.0° | 6.8° |
| C26 | C27 | C28 | H33 | 154.3° | 113.3° |
| O38 | S37 | N40 | C7 | 123.9° | 113.6° |
| O38 | S37 | C7 | C12 | 167.7° | 31.2° |
| O38 | S37 | C7 | C8 | 11.9° | 149.0° |
| O38 | S37 | N40 | H10 | 62.2° | 113.5° |
| O38 | S37 | N40 | H11 | 177.9° | 66.4° |
| N40 | S37 | C7 | C12 | 47.6° | 82.4° |
| N40 | S37 | C7 | C8 | 132.1° | 97.4° |
| S37 | N40 | H10 | H11 | 120.0° | 179.9° |
| S37 | C7 | C12 | C8 | 179.7° | 179.8° |
| S37 | C7 | C8 | N16 | 6.4° | 0.2° |
| S37 | C7 | C12 | F13 | 0.3° | 0.0° |
| S37 | C7 | C12 | C11 | 179.1° | 179.9° |
| S37 | C7 | C8 | C9 | 178.4° | 179.7° |
| C7 | S37 | N40 | H10 | 61.7° | 0.1° |
| C7 | S37 | N40 | H11 | 58.2° | 180.0° |
| C27 | C28 | C29 | H32 | 120.3° | 120.0° |
| C27 | C28 | C29 | H33 | 120.3° | 120.0° |
| C27 | C28 | C29 | C18 | 177.0° | 126.8° |
| C28 | C27 | C26 | H28 | 26.1° | 6.7° |
| C28 | C27 | C26 | H29 | 145.4° | 113.2° |
| C28 | C27 | H30 | H31 | 119.4° | 120.1° |
| C27 | C28 | H32 | H33 | 118.9° | 120.0° |
| C27 | C28 | C29 | H34 | 56.8° | 6.7° |
| C27 | C28 | C29 | H35 | 62.7° | 113.3° |
| C22 | C21 | C20 | H18 | 120.8° | 120.0° |
| C22 | C21 | C20 | H19 | 120.8° | 120.0° |
| C22 | C21 | C20 | C19 | 85.6° | 126.7° |
| C22 | C21 | C20 | H16 | 35.2° | 6.7° |
| C22 | C21 | C20 | H17 | 153.6° | 113.3° |
| C22 | C21 | H18 | H19 | 117.4° | 120.0° |
| C21 | C22 | H20 | H21 | 118.5° | 120.0° |
| C21 | C22 | C23 | H22 | 51.7° | 113.3° |
| C21 | C22 | C23 | H23 | 68.0° | 6.7° |
| C21 | C20 | C19 | H16 | 120.8° | 120.0° |
| C21 | C20 | C19 | H17 | 120.8° | 120.0° |
| C21 | C20 | C19 | C18 | 101.5° | 126.7° |
| C21 | C20 | C19 | H14 | 136.7° | 113.2° |
| C21 | C20 | C19 | H15 | 20.4° | 6.7° |
| C21 | C20 | H16 | H17 | 117.4° | 120.0° |
| C20 | C21 | H18 | H19 | 117.4° | 120.0° |
| C20 | C21 | C22 | H20 | 172.9° | 6.7° |
| C20 | C21 | C22 | H21 | 53.9° | 113.3° |
| C20 | C19 | C18 | C29 | 14.9° | 126.7° |
| C20 | C19 | C18 | N16 | 105.3° | 113.3° |
| C20 | C19 | C18 | H14 | 121.8° | 120.0° |
| C20 | C19 | C18 | H15 | 121.9° | 120.0° |
| C20 | C19 | C18 | H13 | 135.4° | 6.8° |
| C20 | C19 | H14 | H15 | 113.9° | 120.0° |
| C19 | C20 | H16 | H17 | 117.4° | 120.0° |
| C19 | C20 | C21 | H18 | 153.6° | 113.3° |
| C19 | C20 | C21 | H19 | 35.2° | 6.7° |
| C28 | C29 | C18 | H34 | 120.2° | 120.0° |
| C28 | C29 | C18 | H35 | 120.2° | 119.9° |
| C28 | C29 | C18 | N16 | 111.9° | 113.2° |
| C28 | C29 | C18 | C19 | 123.0° | 126.8° |
| C28 | C29 | C18 | H13 | 2.5° | 6.8° |
| C29 | C28 | C27 | H30 | 154.4° | 113.3° |
| C29 | C28 | C27 | H31 | 34.8° | 6.7° |
| C29 | C28 | H32 | H33 | 118.9° | 120.0° |
| C28 | C29 | H34 | H35 | 119.4° | 120.0° |
| C29 | C18 | N16 | C19 | 127.4° | 120.0° |
| C29 | C18 | N16 | H13 | 113.8° | 120.0° |
| C29 | C18 | N16 | C8 | 87.1° | 162.6° |
| C29 | C18 | C19 | H13 | 120.5° | 120.0° |
| C29 | C18 | N16 | H12 | 34.6° | 38.7° |
| C29 | C18 | C19 | H14 | 136.7° | 113.3° |
| C29 | C18 | C19 | H15 | 106.9° | 6.8° |
| C18 | C29 | C28 | H32 | 62.6° | 6.8° |
| C18 | C29 | C28 | H33 | 56.7° | 113.3° |
| C18 | C29 | H34 | H35 | 119.3° | 120.0° |
| C12 | C7 | C8 | N16 | 173.9° | 180.0° |
| C7 | C12 | F13 | C11 | 178.9° | 180.0° |
| C12 | C7 | C8 | C9 | 1.9° | 0.5° |
| C7 | C12 | C11 | F14 | 179.5° | 180.0° |
| C7 | C12 | C11 | C10 | 1.0° | 0.0° |
| C7 | C8 | N16 | C18 | 136.0° | 119.3° |
| C7 | C8 | N16 | C9 | 171.8° | 179.5° |
| C8 | C7 | C12 | F13 | 180.0° | 179.7° |
| C8 | C7 | C12 | C11 | 1.2° | 0.3° |
| C7 | C8 | C9 | C10 | 2.5° | 0.5° |
| C7 | C8 | C9 | F15 | 179.7° | 179.7° |
| C7 | C8 | N16 | H12 | 14.3° | 116.7° |
| C18 | N16 | C8 | H12 | 121.7° | 124.0° |
| N16 | C18 | C19 | H13 | 119.3° | 120.0° |
| C18 | N16 | C8 | C9 | 35.8° | 60.2° |
| N16 | C18 | C19 | H14 | 16.5° | 6.7° |
| N16 | C18 | C19 | H15 | 132.8° | 126.8° |
| N16 | C18 | C29 | H34 | 8.3° | 126.8° |
| N16 | C18 | C29 | H35 | 127.9° | 6.7° |
| C8 | N16 | C18 | C19 | 145.4° | 77.4° |
| N16 | C8 | C9 | C10 | 174.4° | 180.0° |
| N16 | C8 | C9 | F15 | 8.4° | 0.2° |
| C8 | N16 | C18 | H13 | 26.7° | 42.6° |
| F13 | C12 | C11 | F14 | 0.6° | 0.0° |
| F13 | C12 | C11 | C10 | 179.9° | 180.0° |
| C19 | C18 | N16 | H12 | 92.8° | 158.6° |
| C18 | C19 | H14 | H15 | 113.9° | 120.0° |
| C18 | C19 | C20 | H16 | 19.4° | 6.7° |
| C18 | C19 | C20 | H17 | 137.7° | 113.3° |
| C19 | C18 | C29 | H34 | 116.8° | 6.8° |
| C19 | C18 | C29 | H35 | 2.7° | 113.3° |
| C12 | C11 | F14 | C10 | 179.5° | 180.0° |
| C12 | C11 | C10 | C9 | 1.5° | 0.0° |
| C12 | C11 | C10 | S30 | 178.5° | 179.9° |
| C8 | C9 | C10 | C11 | 2.3° | 0.2° |
| C8 | C9 | C10 | F15 | 177.3° | 179.8° |
| C8 | C9 | C10 | S30 | 179.1° | 179.7° |
| C9 | C8 | N16 | H12 | 157.5° | 63.8° |
| F14 | C11 | C10 | C9 | 179.1° | 180.0° |
| F14 | C11 | C10 | S30 | 2.1° | 0.1° |
| C11 | C10 | C9 | S30 | 176.9° | 179.9° |
| C11 | C10 | C9 | F15 | 179.6° | 180.0° |
| C11 | C10 | S30 | C31 | 76.5° | 89.9° |
| C9 | C10 | S30 | C31 | 100.4° | 90.0° |
| F15 | C9 | C10 | S30 | 3.6° | 0.1° |
| C10 | S30 | C31 | C32 | 65.0° | 180.0° |
| C10 | S30 | C31 | H1 | 173.6° | 60.0° |
| C10 | S30 | C31 | H2 | 56.4° | 60.0° |
| C31 | C32 | C33 | H3 | 120.1° | 120.0° |
| C31 | C32 | C33 | H4 | 120.1° | 120.0° |
| C32 | C31 | S30 | H1 | 121.4° | 120.0° |
| C32 | C31 | S30 | H2 | 121.4° | 120.0° |
| C31 | C32 | C33 | C38 | 107.6° | 90.3° |
| C31 | C32 | C33 | C34 | 70.5° | 90.0° |
| C32 | C31 | H1 | H2 | 115.6° | 120.0° |
| C31 | C32 | H3 | H4 | 119.8° | 120.0° |
| C33 | C32 | C31 | S30 | 75.9° | 180.0° |
| C32 | C33 | C38 | C34 | 178.1° | 179.8° |
| C32 | C33 | C38 | C37 | 178.2° | 179.7° |
| C32 | C33 | C34 | C35 | 178.0° | 180.0° |
| C33 | C32 | C31 | H1 | 45.4° | 60.0° |
| C33 | C32 | C31 | H2 | 162.7° | 60.0° |
| C33 | C32 | H3 | H4 | 119.8° | 120.0° |
| C32 | C33 | C34 | H5 | 2.0° | 0.0° |
| C32 | C33 | C38 | H9 | 1.8° | 0.0° |
| S30 | C31 | H1 | H2 | 115.6° | 120.0° |
| S30 | C31 | C32 | H3 | 44.2° | 60.0° |
| S30 | C31 | C32 | H4 | 164.0° | 60.0° |
| C33 | C38 | C37 | H9 | 180.0° | 179.7° |
| C33 | C38 | C37 | C36 | 0.4° | 0.5° |
| C38 | C33 | C34 | C35 | 0.1° | 0.2° |
| C38 | C33 | C32 | H3 | 12.5° | 149.8° |
| C38 | C33 | C32 | H4 | 132.4° | 29.7° |
| C38 | C33 | C34 | H5 | 179.9° | 179.7° |
| C33 | C38 | C37 | H8 | 179.6° | 179.7° |
| C37 | C38 | C33 | C34 | 0.1° | 0.5° |
| C38 | C37 | C36 | H8 | 180.0° | 179.8° |
| C38 | C37 | C36 | C35 | 1.2° | 0.3° |
| C38 | C37 | C36 | C39 | 177.9° | 179.7° |
| C33 | C34 | C35 | H5 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.8° | 0.0° |
| C34 | C33 | C32 | H3 | 169.4° | 30.0° |
| C34 | C33 | C32 | H4 | 49.6° | 150.1° |
| C33 | C34 | C35 | H6 | 179.2° | 180.0° |
| C34 | C33 | C38 | H9 | 179.9° | 179.8° |
| C37 | C36 | C35 | C34 | 1.4° | 0.0° |
| C37 | C36 | C35 | C39 | 176.7° | 180.0° |
| C37 | C36 | C39 | O40 | 8.8° | 180.0° |
| C37 | C36 | C39 | O41 | 176.7° | 0.0° |
| C37 | C36 | C35 | H6 | 178.6° | 180.0° |
| C36 | C37 | C38 | H9 | 179.6° | 179.7° |
| C34 | C35 | C36 | H6 | 180.0° | 180.0° |
| C34 | C35 | C36 | C39 | 178.1° | 180.0° |
| C35 | C36 | C39 | O40 | 167.9° | 0.0° |
| C35 | C36 | C39 | O41 | 6.7° | 180.0° |
| C36 | C35 | C34 | H5 | 179.1° | 180.0° |
| C35 | C36 | C37 | H8 | 178.8° | 180.0° |
| C36 | C39 | O40 | O41 | 174.5° | 180.0° |
| C39 | C36 | C35 | H6 | 1.9° | 0.0° |
| C36 | C39 | O41 | H7 | 174.6° | 180.0° |
| C39 | C36 | C37 | H8 | 2.2° | 0.0° |
| O40 | C39 | O41 | H7 | 0.0° | 0.0° |
| H1 | C31 | C32 | H3 | 165.5° | 180.0° |
| H1 | C31 | C32 | H4 | 74.6° | 59.9° |
| H2 | C31 | C32 | H3 | 77.2° | 60.0° |
| H2 | C31 | C32 | H4 | 42.6° | 179.9° |
| H5 | C34 | C35 | H6 | 0.8° | 0.0° |
| H8 | C37 | C38 | H9 | 0.4° | 0.0° |
| H12 | N16 | C18 | H13 | 148.4° | 81.3° |
| H13 | C18 | C19 | H14 | 102.7° | 126.8° |
| H13 | C18 | C19 | H15 | 13.6° | 113.2° |
| H13 | C18 | C29 | H34 | 122.7° | 113.2° |
| H13 | C18 | C29 | H35 | 117.8° | 126.7° |
| H14 | C19 | C20 | H16 | 102.5° | 126.7° |
| H14 | C19 | C20 | H17 | 15.8° | 6.8° |
| H15 | C19 | C20 | H16 | 141.2° | 113.3° |
| H15 | C19 | C20 | H17 | 100.5° | 126.8° |
| H16 | C20 | C21 | H18 | 85.6° | 126.8° |
| H16 | C20 | C21 | H19 | 156.0° | 113.2° |
| H17 | C20 | C21 | H18 | 32.7° | 6.7° |
| H17 | C20 | C21 | H19 | 85.6° | 126.7° |
| H18 | C21 | C22 | H20 | 66.2° | 126.8° |
| H18 | C21 | C22 | H21 | 174.7° | 6.7° |
| H19 | C21 | C22 | H20 | 52.1° | 113.3° |
| H19 | C21 | C22 | H21 | 66.9° | 126.7° |
| H20 | C22 | C23 | H22 | 172.2° | 126.7° |
| H20 | C22 | C23 | H23 | 52.5° | 113.3° |
| H21 | C22 | C23 | H22 | 68.8° | 6.7° |
| H21 | C22 | C23 | H23 | 171.6° | 126.7° |
| H22 | C23 | C24 | H24 | 92.4° | 126.7° |
| H22 | C23 | C24 | H25 | 148.7° | 6.7° |
| H23 | C23 | C24 | H24 | 27.2° | 113.2° |
| H23 | C23 | C24 | H25 | 91.6° | 126.8° |
| H24 | C24 | C25 | H26 | 16.3° | 126.7° |
| H24 | C24 | C25 | H27 | 102.5° | 113.3° |
| H25 | C24 | C25 | H26 | 102.6° | 6.8° |
| H25 | C24 | C25 | H27 | 138.7° | 126.8° |
| H26 | C25 | C26 | H28 | 140.1° | 126.7° |
| H26 | C25 | C26 | H29 | 20.8° | 6.8° |
| H27 | C25 | C26 | H28 | 101.2° | 113.3° |
| H27 | C25 | C26 | H29 | 139.5° | 126.8° |
| H28 | C26 | C27 | H30 | 94.2° | 126.8° |
| H28 | C26 | C27 | H31 | 146.3° | 113.3° |
| H29 | C26 | C27 | H30 | 25.2° | 6.8° |
| H29 | C26 | C27 | H31 | 94.4° | 126.8° |
| H30 | C27 | C28 | H32 | 85.2° | 126.8° |
| H30 | C27 | C28 | H33 | 34.1° | 6.7° |
| H31 | C27 | C28 | H32 | 155.2° | 113.2° |
| H31 | C27 | C28 | H33 | 85.5° | 126.7° |
| H32 | C28 | C29 | H34 | 177.2° | 113.2° |
| H32 | C28 | C29 | H35 | 57.6° | 126.7° |
| H33 | C28 | C29 | H34 | 63.5° | 126.7° |
| H33 | C28 | C29 | H35 | 176.9° | 6.7° |
