S9Z
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O25 | C24 | doub | 1.21Å | 1.23Å | |
| C24 | C23 | sing | 1.51Å | 1.51Å | |
| C29 | C23 | sing | 1.53Å | 1.55Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| O26 | C22 | doub | 1.21Å | 1.22Å | |
| C23 | C22 | sing | 1.51Å | 1.50Å | |
| C23 | C27 | sing | 1.53Å | 1.53Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C22 | N21 | sing | 1.35Å | 1.33Å | |
| N21 | C19 | sing | 1.40Å | 1.38Å | |
| O3 | C14 | doub | 1.22Å | 1.21Å | |
| C20 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | N8 | sing | 1.47Å | 1.47Å | |
| C19 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | N11 | sing | 1.47Å | 1.48Å | |
| C1 | N8 | sing | 1.47Å | 1.46Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C14 | N11 | sing | 1.35Å | 1.35Å | |
| C14 | C15 | sing | 1.48Å | 1.50Å | |
| N11 | C12 | sing | 1.47Å | 1.46Å | |
| C13 | N8 | sing | 1.47Å | 1.48Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C15 | C16 | doub | 1.40Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | C7 | sing | 1.38Å | 1.36Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.42Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | BR1 | sing | 1.89Å | 1.90Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.08Å | 1.08Å | |
| C16 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H18 | sing | 1.08Å | 1.08Å | |
| N21 | H20 | sing | 0.97Å | 1.00Å | |
| C24 | H21 | sing | 1.08Å | 1.08Å | |
| C27 | H22 | sing | 1.09Å | 1.10Å | |
| C27 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O25 | C24 | C23 | 124.5° | 120.0° |
| O25 | C24 | H21 | 117.7° | 119.9° |
| C24 | C23 | C29 | 105.0° | 109.4° |
| C24 | C23 | C22 | 107.8° | 109.5° |
| C24 | C23 | C27 | 112.3° | 109.5° |
| C23 | C24 | H21 | 117.7° | 120.1° |
| C23 | C29 | C30 | 115.4° | 109.4° |
| C29 | C23 | C22 | 107.0° | 109.5° |
| C29 | C23 | C27 | 114.1° | 109.4° |
| C23 | C29 | H27 | 108.0° | 109.4° |
| C23 | C29 | H28 | 108.0° | 109.5° |
| C30 | C29 | H27 | 107.9° | 109.5° |
| C30 | C29 | H28 | 108.0° | 109.5° |
| C29 | C30 | H29 | 109.5° | 109.5° |
| C29 | C30 | H30 | 109.5° | 109.5° |
| C29 | C30 | H31 | 109.5° | 109.5° |
| O26 | C22 | C23 | 117.4° | 120.0° |
| O26 | C22 | N21 | 123.4° | 120.0° |
| C22 | C23 | C27 | 110.3° | 109.5° |
| C23 | C22 | N21 | 118.7° | 120.0° |
| C23 | C27 | C28 | 111.8° | 109.5° |
| C23 | C27 | H22 | 108.9° | 109.5° |
| C23 | C27 | H23 | 108.9° | 109.5° |
| C28 | C27 | H22 | 108.9° | 109.5° |
| C28 | C27 | H23 | 108.9° | 109.4° |
| C27 | C28 | H24 | 109.5° | 109.5° |
| C27 | C28 | H25 | 109.4° | 109.5° |
| C27 | C28 | H26 | 109.5° | 109.5° |
| C22 | N21 | C19 | 125.2° | 120.0° |
| C22 | N21 | H20 | 117.4° | 120.0° |
| N21 | C19 | C20 | 126.6° | 120.0° |
| N21 | C19 | C18 | 115.1° | 120.0° |
| C19 | N21 | H20 | 117.4° | 120.0° |
| O3 | C14 | N11 | 121.5° | 120.0° |
| O3 | C14 | C15 | 114.1° | 120.0° |
| C19 | C20 | C15 | 120.0° | 119.7° |
| C20 | C19 | C18 | 118.2° | 120.0° |
| C19 | C20 | H18 | 120.0° | 120.1° |
| C20 | C15 | C14 | 120.1° | 120.1° |
| C20 | C15 | C16 | 120.2° | 119.8° |
| C15 | C20 | H18 | 120.0° | 120.1° |
| C10 | C9 | N8 | 112.9° | 109.3° |
| C9 | C10 | N11 | 113.8° | 108.5° |
| C10 | C9 | H7 | 108.6° | 109.5° |
| C10 | C9 | H8 | 108.6° | 109.5° |
| C9 | C10 | H9 | 108.4° | 109.7° |
| C9 | C10 | H10 | 108.4° | 109.6° |
| C9 | N8 | C1 | 108.4° | 111.0° |
| C9 | N8 | C13 | 104.8° | 111.3° |
| N8 | C9 | H7 | 108.6° | 109.5° |
| N8 | C9 | H8 | 108.6° | 109.5° |
| C19 | C18 | C17 | 121.8° | 120.2° |
| C19 | C18 | H17 | 119.1° | 119.9° |
| C10 | N11 | C14 | 120.6° | 120.9° |
| C10 | N11 | C12 | 118.0° | 118.2° |
| N11 | C10 | H9 | 108.4° | 109.7° |
| N11 | C10 | H10 | 108.4° | 109.6° |
| N8 | C1 | C2 | 113.3° | 109.5° |
| C1 | N8 | C13 | 104.9° | 111.0° |
| N8 | C1 | H1 | 108.5° | 109.4° |
| N8 | C1 | H2 | 108.5° | 109.4° |
| C1 | C2 | C3 | 123.0° | 120.0° |
| C1 | C2 | C7 | 115.7° | 120.0° |
| C2 | C1 | H1 | 108.5° | 109.5° |
| C2 | C1 | H2 | 108.5° | 109.5° |
| N11 | C14 | C15 | 124.3° | 120.0° |
| C14 | N11 | C12 | 121.4° | 120.9° |
| C14 | C15 | C16 | 119.7° | 120.1° |
| N11 | C12 | C13 | 110.6° | 108.5° |
| N11 | C12 | H11 | 109.2° | 109.6° |
| N11 | C12 | H12 | 109.2° | 109.8° |
| N8 | C13 | C12 | 110.6° | 109.3° |
| N8 | C13 | H15 | 109.2° | 109.5° |
| N8 | C13 | H16 | 109.2° | 109.5° |
| C13 | C12 | H11 | 109.2° | 109.6° |
| C13 | C12 | H12 | 109.2° | 109.7° |
| C12 | C13 | H15 | 109.2° | 109.5° |
| C12 | C13 | H16 | 109.2° | 109.5° |
| C15 | C16 | C17 | 120.3° | 120.0° |
| C15 | C16 | H14 | 119.9° | 120.0° |
| C2 | C3 | C4 | 120.3° | 120.0° |
| C3 | C2 | C7 | 121.3° | 120.0° |
| C2 | C3 | H3 | 119.9° | 120.0° |
| C3 | C4 | C5 | 117.3° | 120.0° |
| C4 | C3 | H3 | 119.8° | 119.9° |
| C3 | C4 | H4 | 121.4° | 120.0° |
| C2 | C7 | C6 | 119.7° | 120.0° |
| C2 | C7 | H6 | 120.2° | 120.0° |
| C18 | C17 | C16 | 119.5° | 120.2° |
| C18 | C17 | H13 | 120.3° | 119.9° |
| C17 | C18 | H17 | 119.1° | 119.9° |
| C4 | C5 | C6 | 120.9° | 120.0° |
| C4 | C5 | BR1 | 125.9° | 120.0° |
| C5 | C4 | H4 | 121.3° | 120.0° |
| C16 | C17 | H13 | 120.2° | 119.8° |
| C17 | C16 | H14 | 119.8° | 120.0° |
| C7 | C6 | C5 | 120.6° | 120.0° |
| C7 | C6 | H5 | 119.7° | 120.0° |
| C6 | C7 | H6 | 120.2° | 120.0° |
| C6 | C5 | BR1 | 113.2° | 120.0° |
| C5 | C6 | H5 | 119.7° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H7 | C9 | H8 | 109.4° | 109.5° |
| H9 | C10 | H10 | 109.5° | 109.7° |
| H11 | C12 | H12 | 109.5° | 109.6° |
| H15 | C13 | H16 | 109.5° | 109.5° |
| H22 | C27 | H23 | 109.4° | 109.5° |
| H24 | C28 | H25 | 109.5° | 109.4° |
| H24 | C28 | H26 | 109.5° | 109.5° |
| H25 | C28 | H26 | 109.5° | 109.4° |
| H27 | C29 | H28 | 109.5° | 109.5° |
| H29 | C30 | H30 | 109.4° | 109.5° |
| H29 | C30 | H31 | 109.5° | 109.4° |
| H30 | C30 | H31 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O25 | C24 | C23 | H21 | 180.0° | 180.0° |
| O25 | C24 | C23 | C29 | 4.3° | 120.1° |
| O25 | C24 | C23 | C22 | 109.5° | 0.0° |
| O25 | C24 | C23 | C27 | 128.8° | 120.0° |
| C24 | C23 | C29 | C22 | 114.4° | 120.0° |
| C24 | C23 | C29 | C27 | 123.4° | 120.0° |
| C24 | C23 | C29 | C30 | 179.9° | 180.0° |
| C24 | C23 | C22 | O26 | 44.0° | 120.0° |
| C24 | C23 | C22 | C27 | 122.9° | 120.0° |
| C24 | C23 | C27 | C28 | 55.9° | 60.0° |
| C24 | C23 | C22 | N21 | 143.5° | 60.0° |
| C24 | C23 | C27 | H22 | 64.5° | 60.0° |
| C24 | C23 | C27 | H23 | 176.2° | 179.9° |
| C24 | C23 | C29 | H27 | 59.2° | 60.1° |
| C24 | C23 | C29 | H28 | 59.1° | 59.9° |
| C23 | C29 | C30 | H27 | 120.9° | 119.9° |
| C23 | C29 | C30 | H28 | 120.9° | 120.0° |
| C29 | C23 | C22 | O26 | 68.5° | 120.0° |
| C29 | C23 | C22 | C27 | 124.6° | 120.0° |
| C29 | C23 | C27 | C28 | 63.5° | 60.0° |
| C29 | C23 | C22 | N21 | 104.0° | 60.0° |
| C29 | C23 | C24 | H21 | 175.7° | 60.0° |
| C29 | C23 | C27 | H22 | 176.2° | 180.0° |
| C29 | C23 | C27 | H23 | 56.9° | 60.0° |
| C23 | C29 | H27 | H28 | 117.3° | 120.0° |
| C23 | C29 | C30 | H29 | 180.0° | 60.1° |
| C23 | C29 | C30 | H30 | 60.0° | 60.0° |
| C23 | C29 | C30 | H31 | 60.0° | 180.0° |
| C30 | C29 | C23 | C22 | 65.7° | 60.0° |
| C30 | C29 | C23 | C27 | 56.5° | 60.0° |
| C30 | C29 | H27 | H28 | 117.3° | 120.1° |
| C29 | C30 | H29 | H30 | 120.0° | 120.1° |
| C29 | C30 | H29 | H31 | 120.0° | 120.0° |
| C29 | C30 | H30 | H31 | 120.0° | 120.0° |
| O26 | C22 | C23 | N21 | 172.5° | 180.0° |
| O26 | C22 | C23 | C27 | 166.9° | 0.0° |
| O26 | C22 | N21 | C19 | 3.5° | 4.6° |
| O26 | C22 | N21 | H20 | 176.5° | 175.3° |
| C22 | C23 | C27 | C28 | 176.1° | 180.0° |
| C23 | C22 | N21 | C19 | 168.5° | 175.3° |
| C23 | C22 | N21 | H20 | 11.4° | 4.7° |
| C22 | C23 | C24 | H21 | 70.5° | 180.0° |
| C22 | C23 | C27 | H22 | 55.8° | 60.0° |
| C22 | C23 | C27 | H23 | 63.5° | 60.0° |
| C22 | C23 | C29 | H27 | 55.1° | 60.0° |
| C22 | C23 | C29 | H28 | 173.4° | 180.0° |
| C23 | C27 | C28 | H22 | 120.4° | 120.0° |
| C23 | C27 | C28 | H23 | 120.4° | 120.0° |
| C27 | C23 | C22 | N21 | 20.6° | 180.0° |
| C27 | C23 | C24 | H21 | 51.2° | 60.0° |
| C23 | C27 | H22 | H23 | 118.9° | 120.0° |
| C23 | C27 | C28 | H24 | 180.0° | 180.0° |
| C23 | C27 | C28 | H25 | 60.0° | 60.0° |
| C23 | C27 | C28 | H26 | 60.0° | 60.0° |
| C27 | C23 | C29 | H27 | 177.4° | 180.0° |
| C27 | C23 | C29 | H28 | 64.3° | 60.0° |
| C28 | C27 | H22 | H23 | 118.9° | 120.0° |
| C27 | C28 | H24 | H25 | 120.0° | 120.1° |
| C27 | C28 | H24 | H26 | 120.0° | 120.0° |
| C27 | C28 | H25 | H26 | 120.0° | 120.0° |
| C22 | N21 | C19 | H20 | 180.0° | 179.9° |
| C22 | N21 | C19 | C20 | 1.2° | 35.3° |
| C22 | N21 | C19 | C18 | 174.8° | 144.8° |
| N21 | C19 | C20 | C18 | 175.9° | 180.0° |
| N21 | C19 | C20 | C15 | 177.0° | 179.7° |
| N21 | C19 | C18 | C17 | 177.5° | 180.0° |
| N21 | C19 | C18 | H17 | 2.5° | 0.1° |
| N21 | C19 | C20 | H18 | 3.0° | 0.0° |
| O3 | C14 | C15 | C20 | 39.9° | 44.9° |
| O3 | C14 | N11 | C10 | 5.8° | 175.8° |
| O3 | C14 | N11 | C15 | 179.9° | 180.0° |
| O3 | C14 | N11 | C12 | 175.3° | 4.2° |
| O3 | C14 | C15 | C16 | 139.2° | 135.1° |
| C19 | C20 | C15 | H18 | 180.0° | 179.7° |
| C19 | C20 | C15 | C14 | 179.4° | 179.7° |
| C19 | C20 | C15 | C16 | 0.2° | 0.3° |
| C20 | C19 | C18 | C17 | 1.1° | 0.1° |
| C20 | C19 | C18 | H17 | 178.9° | 180.0° |
| C20 | C19 | N21 | H20 | 178.8° | 144.7° |
| C15 | C20 | C19 | C18 | 1.1° | 0.3° |
| C20 | C15 | C14 | N11 | 140.0° | 135.1° |
| C20 | C15 | C14 | C16 | 179.2° | 180.0° |
| C20 | C15 | C16 | C17 | 1.6° | 0.1° |
| C20 | C15 | C16 | H14 | 178.4° | 180.0° |
| C10 | C9 | N8 | H7 | 120.5° | 120.0° |
| C10 | C9 | N8 | H8 | 120.5° | 119.9° |
| C9 | C10 | N11 | H9 | 120.6° | 119.8° |
| C9 | C10 | N11 | H10 | 120.7° | 119.7° |
| C10 | C9 | N8 | C1 | 172.5° | 172.7° |
| C9 | C10 | N11 | C14 | 149.5° | 128.8° |
| C9 | C10 | N11 | C12 | 31.5° | 51.2° |
| C10 | C9 | N8 | C13 | 60.9° | 63.1° |
| C10 | C9 | H7 | H8 | 118.4° | 120.0° |
| C9 | C10 | H9 | H10 | 118.0° | 120.4° |
| N8 | C9 | C10 | N11 | 43.0° | 53.9° |
| C9 | N8 | C1 | C13 | 111.6° | 124.3° |
| C9 | N8 | C1 | C2 | 163.5° | 170.0° |
| C9 | N8 | C13 | C12 | 69.8° | 63.1° |
| C9 | N8 | C1 | H1 | 76.0° | 50.0° |
| C9 | N8 | C1 | H2 | 42.9° | 70.0° |
| N8 | C9 | H7 | H8 | 118.5° | 120.1° |
| N8 | C9 | C10 | H9 | 77.6° | 65.9° |
| N8 | C9 | C10 | H10 | 163.6° | 173.6° |
| C9 | N8 | C13 | H15 | 50.4° | 176.9° |
| C9 | N8 | C13 | H16 | 170.1° | 56.9° |
| C19 | C18 | C17 | H17 | 180.0° | 179.9° |
| C19 | C18 | C17 | C16 | 0.3° | 0.2° |
| C19 | C18 | C17 | H13 | 179.7° | 179.9° |
| C18 | C19 | C20 | H18 | 178.9° | 179.9° |
| C18 | C19 | N21 | H20 | 5.2° | 35.3° |
| C10 | N11 | C14 | C12 | 178.9° | 180.0° |
| C10 | N11 | C14 | C15 | 174.2° | 4.2° |
| C10 | N11 | C12 | C13 | 39.0° | 51.2° |
| N11 | C10 | C9 | H7 | 77.5° | 66.1° |
| N11 | C10 | C9 | H8 | 163.5° | 173.8° |
| N11 | C10 | H9 | H10 | 118.0° | 120.5° |
| C10 | N11 | C12 | H11 | 81.2° | 170.9° |
| C10 | N11 | C12 | H12 | 159.2° | 68.6° |
| N8 | C1 | C2 | H1 | 120.5° | 120.0° |
| N8 | C1 | C2 | H2 | 120.5° | 120.0° |
| C1 | N8 | C13 | C12 | 176.1° | 172.7° |
| N8 | C1 | C2 | C3 | 162.8° | 89.7° |
| N8 | C1 | C2 | C7 | 18.8° | 89.9° |
| N8 | C1 | H1 | H2 | 118.3° | 119.9° |
| C1 | N8 | C9 | H7 | 52.0° | 67.3° |
| C1 | N8 | C9 | H8 | 67.0° | 52.8° |
| C1 | N8 | C13 | H15 | 63.7° | 52.7° |
| C1 | N8 | C13 | H16 | 56.0° | 67.3° |
| C2 | C1 | N8 | C13 | 85.0° | 65.7° |
| C1 | C2 | C3 | C7 | 178.3° | 179.7° |
| C1 | C2 | C3 | C4 | 178.4° | 180.0° |
| C1 | C2 | C7 | C6 | 179.3° | 179.8° |
| C2 | C1 | H1 | H2 | 118.3° | 120.0° |
| C1 | C2 | C3 | H3 | 1.6° | 0.0° |
| C1 | C2 | C7 | H6 | 0.7° | 0.0° |
| C14 | N11 | C12 | C13 | 142.1° | 128.8° |
| N11 | C14 | C15 | C16 | 40.8° | 44.9° |
| C14 | N11 | C10 | H9 | 89.8° | 111.4° |
| C14 | N11 | C10 | H10 | 28.9° | 9.1° |
| C14 | N11 | C12 | H11 | 97.7° | 9.1° |
| C14 | N11 | C12 | H12 | 21.9° | 111.3° |
| C15 | C14 | N11 | C12 | 4.7° | 175.8° |
| C14 | C15 | C16 | C17 | 179.2° | 180.0° |
| C14 | C15 | C16 | H14 | 0.7° | 0.0° |
| C14 | C15 | C20 | H18 | 0.7° | 0.0° |
| N11 | C12 | C13 | N8 | 59.0° | 53.9° |
| N11 | C12 | C13 | H11 | 120.2° | 119.7° |
| N11 | C12 | C13 | H12 | 120.2° | 119.9° |
| C12 | N11 | C10 | H9 | 89.1° | 68.6° |
| C12 | N11 | C10 | H10 | 152.2° | 170.9° |
| N11 | C12 | H11 | H12 | 119.4° | 120.6° |
| N11 | C12 | C13 | H15 | 61.2° | 173.8° |
| N11 | C12 | C13 | H16 | 179.1° | 66.2° |
| N8 | C13 | C12 | H15 | 120.2° | 120.0° |
| N8 | C13 | C12 | H16 | 120.1° | 120.0° |
| C13 | N8 | C1 | H1 | 35.6° | 174.3° |
| C13 | N8 | C1 | H2 | 154.5° | 54.3° |
| C13 | N8 | C9 | H7 | 59.6° | 56.9° |
| C13 | N8 | C9 | H8 | 178.6° | 176.9° |
| N8 | C13 | C12 | H11 | 61.2° | 173.6° |
| N8 | C13 | C12 | H12 | 179.1° | 66.1° |
| N8 | C13 | H15 | H16 | 119.5° | 120.1° |
| C13 | C12 | H11 | H12 | 119.5° | 120.4° |
| C12 | C13 | H15 | H16 | 119.5° | 120.0° |
| C15 | C16 | C17 | C18 | 1.6° | 0.2° |
| C15 | C16 | C17 | H14 | 180.0° | 179.9° |
| C15 | C16 | C17 | H13 | 178.4° | 179.9° |
| C16 | C15 | C20 | H18 | 179.8° | 179.9° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.1° |
| C3 | C2 | C7 | C6 | 0.9° | 0.6° |
| C3 | C2 | C1 | H1 | 42.2° | 30.3° |
| C3 | C2 | C1 | H2 | 76.7° | 150.3° |
| C2 | C3 | C4 | H4 | 179.8° | 180.0° |
| C3 | C2 | C7 | H6 | 179.1° | 179.7° |
| C4 | C3 | C2 | C7 | 0.1° | 0.3° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.4° | 0.0° |
| C3 | C4 | C5 | BR1 | 179.1° | 180.0° |
| C2 | C7 | C6 | H6 | 180.0° | 179.7° |
| C2 | C7 | C6 | C5 | 1.5° | 0.5° |
| C7 | C2 | C1 | H1 | 139.4° | 150.0° |
| C7 | C2 | C1 | H2 | 101.7° | 30.0° |
| C7 | C2 | C3 | H3 | 179.9° | 179.7° |
| C2 | C7 | C6 | H5 | 178.5° | 179.7° |
| C18 | C17 | C16 | H13 | 180.0° | 179.7° |
| C18 | C17 | C16 | H14 | 178.4° | 179.7° |
| C4 | C5 | C6 | C7 | 1.2° | 0.3° |
| C4 | C5 | C6 | BR1 | 179.6° | 179.9° |
| C5 | C4 | C3 | H3 | 179.8° | 180.0° |
| C4 | C5 | C6 | H5 | 178.8° | 180.0° |
| C16 | C17 | C18 | H17 | 179.7° | 179.7° |
| C7 | C6 | C5 | H5 | 180.0° | 179.7° |
| C7 | C6 | C5 | BR1 | 178.3° | 179.8° |
| C6 | C5 | C4 | H4 | 179.6° | 180.0° |
| C5 | C6 | C7 | H6 | 178.5° | 179.7° |
| BR1 | C5 | C4 | H4 | 0.9° | 0.1° |
| BR1 | C5 | C6 | H5 | 1.7° | 0.0° |
| H3 | C3 | C4 | H4 | 0.2° | 0.0° |
| H5 | C6 | C7 | H6 | 1.5° | 0.0° |
| H7 | C9 | C10 | H9 | 161.8° | 174.1° |
| H7 | C9 | C10 | H10 | 43.1° | 53.6° |
| H8 | C9 | C10 | H9 | 42.9° | 54.0° |
| H8 | C9 | C10 | H10 | 75.8° | 66.5° |
| H11 | C12 | C13 | H15 | 178.7° | 66.5° |
| H11 | C12 | C13 | H16 | 59.0° | 53.5° |
| H12 | C12 | C13 | H15 | 59.0° | 53.9° |
| H12 | C12 | C13 | H16 | 60.7° | 173.9° |
| H13 | C17 | C16 | H14 | 1.6° | 0.0° |
| H13 | C17 | C18 | H17 | 0.3° | 0.0° |
| H22 | C27 | C28 | H24 | 59.7° | 60.0° |
| H22 | C27 | C28 | H25 | 179.6° | 180.0° |
| H22 | C27 | C28 | H26 | 60.4° | 60.0° |
| H23 | C27 | C28 | H24 | 59.6° | 60.0° |
| H23 | C27 | C28 | H25 | 60.4° | 60.0° |
| H23 | C27 | C28 | H26 | 179.6° | 180.0° |
| H24 | C28 | H25 | H26 | 120.0° | 119.9° |
| H27 | C29 | C30 | H29 | 59.1° | 180.0° |
| H27 | C29 | C30 | H30 | 179.1° | 60.0° |
| H27 | C29 | C30 | H31 | 60.9° | 60.0° |
| H28 | C29 | C30 | H29 | 59.1° | 59.9° |
| H28 | C29 | C30 | H30 | 60.8° | 180.0° |
| H28 | C29 | C30 | H31 | 179.1° | 60.0° |
| H29 | C30 | H30 | H31 | 120.0° | 119.9° |
