S9W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| BR1 | C29 | sing | 1.89Å | 1.90Å | |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C18 | sing | 1.51Å | 1.51Å | |
| C14 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | N19 | sing | 1.47Å | 1.47Å | |
| C20 | N19 | sing | 1.47Å | 1.47Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.39Å | 1.41Å | Aromatic |
| C12 | N11 | sing | 1.40Å | 1.37Å | |
| C30 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| N19 | C24 | sing | 1.47Å | 1.48Å | |
| C21 | N22 | sing | 1.47Å | 1.49Å | |
| C26 | C31 | sing | 1.38Å | 1.41Å | Aromatic |
| C26 | C25 | sing | 1.51Å | 1.51Å | |
| N22 | C25 | sing | 1.47Å | 1.49Å | |
| N22 | C23 | sing | 1.47Å | 1.47Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| N11 | C10 | sing | 1.35Å | 1.32Å | |
| C10 | O33 | doub | 1.21Å | 1.18Å | |
| C10 | C2 | sing | 1.51Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C7 | C2 | sing | 1.53Å | 1.51Å | |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C2 | C8 | sing | 1.51Å | 1.54Å | |
| O5 | C4 | sing | 1.43Å | 1.43Å | |
| O5 | C6 | sing | 1.43Å | 1.41Å | |
| C8 | O9 | doub | 1.21Å | 1.24Å | |
| C15 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C8 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| N11 | H12 | sing | 0.97Å | 1.00Å | |
| C16 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å | |
| C25 | H28 | sing | 1.09Å | 1.10Å | |
| C27 | H29 | sing | 1.08Å | 1.08Å | |
| C28 | H30 | sing | 1.08Å | 1.08Å | |
| C30 | H31 | sing | 1.08Å | 1.08Å | |
| C31 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| BR1 | C29 | C28 | 112.8° | 120.0° |
| BR1 | C29 | C30 | 127.2° | 120.0° |
| C15 | C16 | C17 | 119.0° | 120.1° |
| C16 | C15 | C14 | 121.7° | 120.2° |
| C16 | C15 | H1 | 119.1° | 119.9° |
| C15 | C16 | H13 | 120.5° | 120.0° |
| C16 | C17 | C12 | 120.7° | 119.9° |
| C17 | C16 | H13 | 120.5° | 119.9° |
| C16 | C17 | H14 | 119.7° | 120.1° |
| C15 | C14 | C18 | 117.7° | 120.0° |
| C15 | C14 | C13 | 119.8° | 120.1° |
| C14 | C15 | H1 | 119.1° | 119.9° |
| C29 | C28 | C27 | 122.1° | 120.0° |
| C28 | C29 | C30 | 120.0° | 120.0° |
| C29 | C28 | H30 | 119.0° | 120.0° |
| C28 | C27 | C26 | 119.1° | 120.0° |
| C28 | C27 | H29 | 120.4° | 120.0° |
| C27 | C28 | H30 | 118.9° | 120.0° |
| C29 | C30 | C31 | 117.6° | 120.0° |
| C29 | C30 | H31 | 121.2° | 120.0° |
| C17 | C12 | C13 | 119.9° | 119.9° |
| C17 | C12 | N11 | 113.3° | 120.1° |
| C12 | C17 | H14 | 119.7° | 120.1° |
| C27 | C26 | C31 | 120.4° | 120.0° |
| C27 | C26 | C25 | 114.9° | 119.9° |
| C26 | C27 | H29 | 120.5° | 120.0° |
| C18 | C14 | C13 | 122.5° | 120.0° |
| C14 | C18 | N19 | 114.2° | 109.5° |
| C14 | C18 | H15 | 108.3° | 109.5° |
| C14 | C18 | H16 | 108.3° | 109.5° |
| C14 | C13 | C12 | 119.0° | 119.9° |
| C14 | C13 | H2 | 120.5° | 120.1° |
| C18 | N19 | C20 | 109.3° | 111.0° |
| C18 | N19 | C24 | 106.4° | 111.0° |
| N19 | C18 | H15 | 108.3° | 109.5° |
| N19 | C18 | H16 | 108.3° | 109.5° |
| N19 | C20 | C21 | 112.5° | 109.3° |
| C20 | N19 | C24 | 111.4° | 110.9° |
| N19 | C20 | H18 | 108.7° | 109.5° |
| N19 | C20 | H19 | 108.7° | 109.5° |
| C20 | C21 | N22 | 115.2° | 109.4° |
| C21 | C20 | H18 | 108.7° | 109.5° |
| C21 | C20 | H19 | 108.7° | 109.5° |
| C20 | C21 | H20 | 108.0° | 109.5° |
| C20 | C21 | H21 | 108.0° | 109.5° |
| C13 | C12 | N11 | 126.8° | 120.1° |
| C12 | C13 | H2 | 120.5° | 120.0° |
| C12 | N11 | C10 | 127.2° | 120.0° |
| C12 | N11 | H12 | 116.4° | 120.0° |
| C30 | C31 | C26 | 120.8° | 120.0° |
| C31 | C30 | H31 | 121.2° | 120.0° |
| C30 | C31 | H32 | 119.6° | 120.0° |
| N19 | C24 | C23 | 112.0° | 109.4° |
| N19 | C24 | H25 | 108.8° | 109.5° |
| N19 | C24 | H26 | 108.9° | 109.5° |
| C21 | N22 | C25 | 112.5° | 111.0° |
| C21 | N22 | C23 | 104.6° | 110.9° |
| N22 | C21 | H20 | 108.0° | 109.5° |
| N22 | C21 | H21 | 108.0° | 109.5° |
| C31 | C26 | C25 | 124.6° | 120.0° |
| C26 | C31 | H32 | 119.6° | 120.0° |
| C26 | C25 | N22 | 113.0° | 109.5° |
| C26 | C25 | H27 | 108.6° | 109.5° |
| C26 | C25 | H28 | 108.6° | 109.5° |
| C25 | N22 | C23 | 108.9° | 111.0° |
| N22 | C25 | H27 | 108.6° | 109.4° |
| N22 | C25 | H28 | 108.6° | 109.5° |
| N22 | C23 | C24 | 107.4° | 109.3° |
| N22 | C23 | H23 | 110.0° | 109.5° |
| N22 | C23 | H24 | 110.0° | 109.5° |
| C24 | C23 | H23 | 110.0° | 109.5° |
| C24 | C23 | H24 | 110.0° | 109.5° |
| C23 | C24 | H25 | 108.8° | 109.5° |
| C23 | C24 | H26 | 108.8° | 109.5° |
| N11 | C10 | O33 | 120.6° | 120.0° |
| N11 | C10 | C2 | 121.5° | 120.0° |
| C10 | N11 | H12 | 116.4° | 120.0° |
| O33 | C10 | C2 | 117.8° | 119.9° |
| C10 | C2 | C3 | 113.5° | 109.6° |
| C10 | C2 | C7 | 105.0° | 109.5° |
| C10 | C2 | C8 | 108.6° | 109.5° |
| C2 | C3 | C4 | 109.7° | 109.2° |
| C3 | C2 | C7 | 105.3° | 109.1° |
| C3 | C2 | C8 | 112.9° | 109.6° |
| C2 | C3 | H4 | 109.4° | 109.5° |
| C2 | C3 | H5 | 109.4° | 109.6° |
| C3 | C4 | O5 | 113.0° | 109.4° |
| C4 | C3 | H4 | 109.4° | 109.5° |
| C4 | C3 | H5 | 109.4° | 109.5° |
| C3 | C4 | H6 | 108.6° | 109.5° |
| C3 | C4 | H7 | 108.6° | 109.5° |
| C2 | C7 | C6 | 113.6° | 109.2° |
| C7 | C2 | C8 | 111.2° | 109.5° |
| C2 | C7 | H10 | 108.4° | 109.6° |
| C2 | C7 | H11 | 108.4° | 109.5° |
| C7 | C6 | O5 | 111.1° | 109.4° |
| C7 | C6 | H8 | 109.1° | 109.4° |
| C7 | C6 | H9 | 109.1° | 109.5° |
| C6 | C7 | H10 | 108.4° | 109.5° |
| C6 | C7 | H11 | 108.4° | 109.5° |
| C2 | C8 | O9 | 124.7° | 120.0° |
| C2 | C8 | H3 | 117.7° | 119.9° |
| C4 | O5 | C6 | 116.2° | 114.1° |
| O5 | C4 | H6 | 108.6° | 109.4° |
| O5 | C4 | H7 | 108.6° | 109.5° |
| O5 | C6 | H8 | 109.1° | 109.4° |
| O5 | C6 | H9 | 109.1° | 109.6° |
| O9 | C8 | H3 | 117.6° | 120.0° |
| H4 | C3 | H5 | 109.5° | 109.6° |
| H6 | C4 | H7 | 109.5° | 109.5° |
| H8 | C6 | H9 | 109.5° | 109.5° |
| H10 | C7 | H11 | 109.5° | 109.6° |
| H15 | C18 | H16 | 109.4° | 109.4° |
| H18 | C20 | H19 | 109.5° | 109.5° |
| H20 | C21 | H21 | 109.5° | 109.5° |
| H23 | C23 | H24 | 109.5° | 109.5° |
| H25 | C24 | H26 | 109.4° | 109.5° |
| H27 | C25 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| BR1 | C29 | C28 | C30 | 179.9° | 180.0° |
| BR1 | C29 | C28 | C27 | 179.7° | 180.0° |
| BR1 | C29 | C30 | C31 | 179.3° | 179.9° |
| BR1 | C29 | C28 | H30 | 0.2° | 0.0° |
| BR1 | C29 | C30 | H31 | 0.8° | 0.0° |
| C15 | C16 | C17 | H13 | 180.0° | 179.5° |
| C16 | C15 | C14 | H1 | 180.0° | 179.7° |
| C15 | C16 | C17 | C12 | 0.3° | 0.6° |
| C16 | C15 | C14 | C18 | 178.5° | 179.8° |
| C16 | C15 | C14 | C13 | 0.4° | 0.3° |
| C15 | C16 | C17 | H14 | 179.7° | 180.0° |
| C17 | C16 | C15 | C14 | 0.1° | 0.5° |
| C16 | C17 | C12 | H14 | 180.0° | 179.4° |
| C16 | C17 | C12 | C13 | 0.1° | 0.3° |
| C16 | C17 | C12 | N11 | 178.5° | 179.7° |
| C17 | C16 | C15 | H1 | 179.9° | 179.7° |
| C15 | C14 | C18 | C13 | 178.0° | 180.0° |
| C15 | C14 | C18 | N19 | 106.0° | 90.0° |
| C15 | C14 | C13 | C12 | 0.8° | 0.1° |
| C15 | C14 | C13 | H2 | 179.2° | 180.0° |
| C14 | C15 | C16 | H13 | 179.9° | 180.0° |
| C15 | C14 | C18 | H15 | 133.3° | 150.0° |
| C15 | C14 | C18 | H16 | 14.7° | 30.0° |
| C29 | C28 | C27 | H30 | 180.0° | 180.0° |
| C29 | C28 | C27 | C26 | 1.0° | 0.0° |
| C28 | C29 | C30 | C31 | 0.8° | 0.0° |
| C29 | C28 | C27 | H29 | 179.0° | 180.0° |
| C28 | C29 | C30 | H31 | 179.2° | 180.0° |
| C27 | C28 | C29 | C30 | 0.2° | 0.0° |
| C28 | C27 | C26 | H29 | 180.0° | 180.0° |
| C28 | C27 | C26 | C31 | 0.7° | 0.0° |
| C28 | C27 | C26 | C25 | 178.4° | 179.8° |
| C29 | C30 | C31 | H31 | 180.0° | 179.9° |
| C29 | C30 | C31 | C26 | 1.1° | 0.1° |
| C30 | C29 | C28 | H30 | 179.8° | 180.0° |
| C29 | C30 | C31 | H32 | 178.9° | 179.7° |
| C17 | C12 | C13 | C14 | 0.6° | 0.1° |
| C17 | C12 | C13 | N11 | 178.3° | 179.9° |
| C17 | C12 | N11 | C10 | 176.9° | 144.9° |
| C17 | C12 | C13 | H2 | 179.4° | 180.0° |
| C17 | C12 | N11 | H12 | 3.2° | 35.0° |
| C12 | C17 | C16 | H13 | 179.7° | 180.0° |
| C27 | C26 | C31 | C30 | 0.4° | 0.0° |
| C27 | C26 | C31 | C25 | 178.9° | 179.8° |
| C27 | C26 | C25 | N22 | 34.7° | 89.8° |
| C27 | C26 | C25 | H27 | 85.8° | 150.3° |
| C27 | C26 | C25 | H28 | 155.2° | 30.3° |
| C26 | C27 | C28 | H30 | 179.1° | 180.0° |
| C27 | C26 | C31 | H32 | 179.6° | 179.7° |
| C14 | C18 | N19 | H15 | 120.7° | 120.0° |
| C14 | C18 | N19 | H16 | 120.7° | 120.0° |
| C14 | C18 | N19 | C20 | 69.7° | 66.2° |
| C18 | C14 | C13 | C12 | 178.7° | 180.0° |
| C14 | C18 | N19 | C24 | 170.0° | 170.0° |
| C18 | C14 | C15 | H1 | 1.5° | 0.0° |
| C18 | C14 | C13 | H2 | 1.3° | 0.1° |
| C14 | C18 | H15 | H16 | 117.8° | 120.0° |
| C13 | C14 | C18 | N19 | 76.0° | 90.1° |
| C14 | C13 | C12 | H2 | 180.0° | 179.9° |
| C14 | C13 | C12 | N11 | 177.7° | 180.0° |
| C13 | C14 | C15 | H1 | 179.6° | 180.0° |
| C13 | C14 | C18 | H15 | 44.7° | 30.0° |
| C13 | C14 | C18 | H16 | 163.3° | 150.0° |
| C18 | N19 | C20 | C24 | 117.2° | 123.9° |
| C18 | N19 | C20 | C21 | 159.6° | 176.8° |
| C18 | N19 | C24 | C23 | 172.3° | 176.8° |
| N19 | C18 | H15 | H16 | 117.8° | 120.0° |
| C18 | N19 | C20 | H18 | 39.2° | 63.3° |
| C18 | N19 | C20 | H19 | 80.0° | 56.8° |
| C18 | N19 | C24 | H25 | 67.3° | 56.9° |
| C18 | N19 | C24 | H26 | 51.9° | 63.2° |
| N19 | C20 | C21 | H18 | 120.5° | 119.9° |
| N19 | C20 | C21 | H19 | 120.5° | 119.9° |
| N19 | C20 | C21 | N22 | 47.9° | 58.4° |
| C20 | N19 | C24 | C23 | 53.3° | 59.4° |
| C20 | N19 | C18 | H15 | 169.6° | 173.8° |
| C20 | N19 | C18 | H16 | 51.1° | 53.8° |
| N19 | C20 | H18 | H19 | 118.6° | 120.0° |
| N19 | C20 | C21 | H20 | 168.8° | 178.3° |
| N19 | C20 | C21 | H21 | 73.0° | 61.5° |
| C20 | N19 | C24 | H25 | 173.7° | 179.3° |
| C20 | N19 | C24 | H26 | 67.1° | 60.6° |
| C21 | C20 | N19 | C24 | 42.4° | 59.3° |
| C20 | C21 | N22 | H20 | 120.8° | 119.9° |
| C20 | C21 | N22 | H21 | 120.8° | 120.0° |
| C20 | C21 | N22 | C25 | 177.0° | 176.8° |
| C20 | C21 | N22 | C23 | 59.1° | 59.4° |
| C21 | C20 | H18 | H19 | 118.6° | 120.1° |
| C20 | C21 | H20 | H21 | 117.3° | 120.1° |
| C13 | C12 | N11 | C10 | 1.6° | 35.2° |
| C13 | C12 | N11 | H12 | 178.4° | 144.9° |
| C13 | C12 | C17 | H14 | 180.0° | 179.8° |
| C12 | N11 | C10 | H12 | 180.0° | 179.9° |
| C12 | N11 | C10 | O33 | 8.8° | 4.6° |
| C12 | N11 | C10 | C2 | 167.1° | 175.1° |
| N11 | C12 | C13 | H2 | 2.3° | 0.1° |
| N11 | C12 | C17 | H14 | 1.5° | 0.3° |
| C30 | C31 | C26 | H32 | 180.0° | 179.7° |
| C30 | C31 | C26 | C25 | 179.3° | 179.7° |
| N19 | C24 | C23 | N22 | 67.1° | 58.4° |
| N19 | C24 | C23 | H25 | 120.4° | 119.9° |
| N19 | C24 | C23 | H26 | 120.4° | 120.0° |
| C24 | N19 | C18 | H15 | 49.3° | 50.0° |
| C24 | N19 | C18 | H16 | 69.3° | 70.0° |
| C24 | N19 | C20 | H18 | 78.0° | 60.6° |
| C24 | N19 | C20 | H19 | 162.8° | 179.3° |
| N19 | C24 | C23 | H23 | 173.2° | 178.4° |
| N19 | C24 | C23 | H24 | 52.6° | 61.5° |
| N19 | C24 | H25 | H26 | 118.8° | 120.1° |
| C21 | N22 | C25 | C26 | 62.2° | 170.0° |
| C21 | N22 | C25 | C23 | 115.4° | 123.8° |
| C21 | N22 | C23 | C24 | 66.1° | 59.3° |
| N22 | C21 | C20 | H18 | 72.6° | 61.5° |
| N22 | C21 | C20 | H19 | 168.4° | 178.4° |
| N22 | C21 | H20 | H21 | 117.4° | 120.1° |
| C21 | N22 | C23 | H23 | 174.2° | 179.3° |
| C21 | N22 | C23 | H24 | 53.6° | 60.6° |
| C21 | N22 | C25 | H27 | 177.3° | 50.0° |
| C21 | N22 | C25 | H28 | 58.3° | 69.9° |
| C31 | C26 | C25 | N22 | 144.3° | 90.0° |
| C31 | C26 | C25 | H27 | 95.2° | 29.9° |
| C31 | C26 | C25 | H28 | 23.8° | 150.0° |
| C31 | C26 | C27 | H29 | 179.3° | 180.0° |
| C26 | C31 | C30 | H31 | 178.9° | 180.0° |
| C26 | C25 | N22 | H27 | 120.5° | 120.0° |
| C26 | C25 | N22 | H28 | 120.5° | 120.1° |
| C26 | C25 | N22 | C23 | 177.6° | 66.2° |
| C26 | C25 | H27 | H28 | 118.4° | 120.1° |
| C25 | C26 | C27 | H29 | 1.6° | 0.2° |
| C25 | C26 | C31 | H32 | 0.7° | 0.1° |
| C25 | N22 | C23 | C24 | 173.5° | 176.8° |
| C25 | N22 | C21 | H20 | 62.1° | 56.9° |
| C25 | N22 | C21 | H21 | 56.2° | 63.2° |
| C25 | N22 | C23 | H23 | 53.8° | 56.8° |
| C25 | N22 | C23 | H24 | 66.9° | 63.2° |
| N22 | C25 | H27 | H28 | 118.4° | 120.0° |
| N22 | C23 | C24 | H23 | 119.7° | 119.9° |
| N22 | C23 | C24 | H24 | 119.7° | 120.0° |
| C23 | N22 | C21 | H20 | 179.9° | 179.3° |
| C23 | N22 | C21 | H21 | 61.8° | 60.6° |
| N22 | C23 | H23 | H24 | 121.0° | 120.0° |
| N22 | C23 | C24 | H25 | 172.5° | 178.3° |
| N22 | C23 | C24 | H26 | 53.3° | 61.5° |
| C23 | N22 | C25 | H27 | 61.9° | 173.8° |
| C23 | N22 | C25 | H28 | 57.1° | 53.8° |
| C24 | C23 | H23 | H24 | 121.0° | 120.1° |
| C23 | C24 | H25 | H26 | 118.8° | 120.1° |
| N11 | C10 | O33 | C2 | 176.1° | 179.7° |
| N11 | C10 | C2 | C3 | 17.2° | 179.6° |
| N11 | C10 | C2 | C7 | 97.3° | 59.9° |
| N11 | C10 | C2 | C8 | 143.6° | 60.2° |
| O33 | C10 | C2 | C3 | 166.8° | 0.1° |
| O33 | C10 | C2 | C7 | 78.7° | 119.8° |
| O33 | C10 | C2 | C8 | 40.4° | 120.0° |
| O33 | C10 | N11 | H12 | 171.2° | 175.4° |
| C10 | C2 | C3 | C7 | 114.4° | 119.9° |
| C10 | C2 | C3 | C8 | 124.1° | 120.2° |
| C10 | C2 | C3 | C4 | 172.0° | 62.9° |
| C10 | C2 | C7 | C8 | 117.3° | 120.1° |
| C10 | C2 | C7 | C6 | 178.2° | 62.9° |
| C10 | C2 | C8 | O9 | 98.3° | 0.1° |
| C10 | C2 | C8 | H3 | 81.7° | 180.0° |
| C10 | C2 | C3 | H4 | 67.9° | 177.2° |
| C10 | C2 | C3 | H5 | 52.0° | 57.0° |
| C10 | C2 | C7 | H10 | 57.6° | 57.0° |
| C10 | C2 | C7 | H11 | 61.2° | 177.2° |
| C2 | C10 | N11 | H12 | 12.9° | 4.8° |
| C2 | C3 | C4 | H4 | 120.0° | 119.9° |
| C2 | C3 | C4 | H5 | 120.1° | 119.9° |
| C3 | C2 | C7 | C8 | 122.6° | 119.9° |
| C3 | C2 | C7 | C6 | 58.1° | 57.0° |
| C2 | C3 | C4 | O5 | 55.9° | 57.6° |
| C3 | C2 | C8 | O9 | 134.9° | 120.1° |
| C3 | C2 | C8 | H3 | 45.1° | 59.8° |
| C2 | C3 | H4 | H5 | 119.9° | 120.2° |
| C2 | C3 | C4 | H6 | 64.6° | 177.5° |
| C2 | C3 | C4 | H7 | 176.4° | 62.4° |
| C3 | C2 | C7 | H10 | 62.5° | 176.9° |
| C3 | C2 | C7 | H11 | 178.7° | 62.8° |
| C4 | C3 | C2 | C7 | 57.7° | 57.0° |
| C4 | C3 | C2 | C8 | 63.8° | 177.0° |
| C3 | C4 | O5 | H6 | 120.5° | 120.0° |
| C3 | C4 | O5 | H7 | 120.5° | 120.0° |
| C3 | C4 | O5 | C6 | 51.7° | 61.1° |
| C4 | C3 | H4 | H5 | 119.9° | 120.1° |
| C3 | C4 | H6 | H7 | 118.4° | 120.0° |
| C2 | C7 | C6 | H10 | 120.6° | 119.9° |
| C2 | C7 | C6 | H11 | 120.6° | 119.9° |
| C2 | C7 | C6 | O5 | 53.8° | 57.5° |
| C7 | C2 | C8 | O9 | 16.8° | 120.2° |
| C7 | C2 | C8 | H3 | 163.2° | 59.9° |
| C7 | C2 | C3 | H4 | 177.7° | 62.9° |
| C7 | C2 | C3 | H5 | 62.4° | 176.9° |
| C2 | C7 | C6 | H8 | 174.1° | 62.4° |
| C2 | C7 | C6 | H9 | 66.4° | 177.6° |
| C2 | C7 | H10 | H11 | 118.1° | 120.2° |
| C6 | C7 | C2 | C8 | 64.5° | 177.0° |
| C7 | C6 | O5 | C4 | 48.8° | 61.0° |
| C7 | C6 | O5 | H8 | 120.3° | 119.9° |
| C7 | C6 | O5 | H9 | 120.2° | 120.0° |
| C7 | C6 | H8 | H9 | 119.3° | 120.1° |
| C6 | C7 | H10 | H11 | 118.1° | 120.1° |
| C2 | C8 | O9 | H3 | 180.0° | 180.0° |
| C8 | C2 | C3 | H4 | 56.2° | 57.1° |
| C8 | C2 | C3 | H5 | 176.1° | 63.2° |
| C8 | C2 | C7 | H10 | 174.9° | 63.2° |
| C8 | C2 | C7 | H11 | 56.1° | 57.1° |
| O5 | C4 | C3 | H4 | 176.0° | 62.3° |
| O5 | C4 | C3 | H5 | 64.1° | 177.5° |
| O5 | C4 | H6 | H7 | 118.4° | 120.0° |
| C4 | O5 | C6 | H8 | 169.1° | 58.8° |
| C4 | O5 | C6 | H9 | 71.4° | 178.9° |
| C6 | O5 | C4 | H6 | 68.9° | 178.9° |
| C6 | O5 | C4 | H7 | 172.2° | 58.9° |
| O5 | C6 | H8 | H9 | 119.2° | 120.1° |
| O5 | C6 | C7 | H10 | 66.8° | 177.4° |
| O5 | C6 | C7 | H11 | 174.4° | 62.4° |
| H1 | C15 | C16 | H13 | 0.1° | 0.3° |
| H4 | C3 | C4 | H6 | 55.4° | 57.6° |
| H4 | C3 | C4 | H7 | 63.5° | 177.7° |
| H5 | C3 | C4 | H6 | 175.3° | 62.5° |
| H5 | C3 | C4 | H7 | 56.4° | 57.5° |
| H8 | C6 | C7 | H10 | 53.5° | 57.6° |
| H8 | C6 | C7 | H11 | 65.3° | 177.7° |
| H9 | C6 | C7 | H10 | 173.0° | 62.5° |
| H9 | C6 | C7 | H11 | 54.2° | 57.7° |
| H13 | C16 | C17 | H14 | 0.3° | 0.5° |
| H18 | C20 | C21 | H20 | 48.3° | 58.4° |
| H18 | C20 | C21 | H21 | 166.6° | 178.5° |
| H19 | C20 | C21 | H20 | 70.8° | 61.7° |
| H19 | C20 | C21 | H21 | 47.5° | 58.4° |
| H23 | C23 | C24 | H25 | 52.8° | 61.7° |
| H23 | C23 | C24 | H26 | 66.4° | 58.4° |
| H24 | C23 | C24 | H25 | 67.8° | 58.4° |
| H24 | C23 | C24 | H26 | 173.0° | 178.5° |
| H29 | C27 | C28 | H30 | 0.9° | 0.0° |
| H31 | C30 | C31 | H32 | 1.1° | 0.3° |
