A1IOC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| C26 | C27 | sing | 1.53Å | 1.49Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.50Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C27 | C28 | sing | 1.53Å | 1.51Å | |
| C17 | N1 | sing | 1.46Å | 1.49Å | |
| C17 | C16 | sing | 1.50Å | 1.54Å | |
| N1 | C22 | sing | 1.35Å | 1.34Å | |
| N1 | C21 | sing | 1.47Å | 1.51Å | |
| O7 | C22 | doub | 1.21Å | 1.24Å | |
| C22 | C23 | sing | 1.51Å | 1.55Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | C29 | sing | 1.53Å | 1.51Å | |
| C28 | C29 | sing | 1.53Å | 1.51Å | |
| C23 | C4 | sing | 1.51Å | 1.52Å | |
| C16 | O6 | doub | 1.20Å | 1.19Å | |
| C16 | O5 | sing | 1.32Å | 1.33Å | |
| O5 | C15 | sing | 1.43Å | 1.47Å | |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.49Å | |
| C11 | O4 | sing | 1.43Å | 1.33Å | |
| C12 | C13 | doub | 1.32Å | 1.31Å | |
| C15 | C14 | sing | 1.52Å | 1.52Å | |
| C14 | C13 | sing | 1.50Å | 1.50Å | |
| C6 | O3 | sing | 1.36Å | 1.39Å | |
| C6 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| O4 | C10 | sing | 1.43Å | 1.38Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C9 | O3 | sing | 1.43Å | 1.40Å | |
| C2 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.35Å | |
| C1 | O1 | sing | 1.43Å | 1.43Å | |
| C7 | O2 | sing | 1.36Å | 1.39Å | |
| O2 | C8 | sing | 1.43Å | 1.43Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C13 | H16 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | H21 | sing | 1.11Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C26 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C28 | H38 | sing | 1.09Å | 1.10Å | |
| C28 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H41 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C26 | C27 | 116.7° | 109.5° |
| C26 | C25 | C24 | 113.6° | 109.5° |
| C26 | C25 | H33 | 108.5° | 109.4° |
| C26 | C25 | H32 | 108.4° | 109.4° |
| C25 | C26 | H34 | 107.7° | 109.5° |
| C25 | C26 | H35 | 107.7° | 109.5° |
| C26 | C27 | C28 | 107.1° | 109.4° |
| C27 | C26 | H34 | 107.6° | 109.5° |
| C27 | C26 | H35 | 107.7° | 109.4° |
| C26 | C27 | H36 | 110.1° | 109.4° |
| C26 | C27 | H37 | 110.1° | 109.5° |
| C19 | C18 | C17 | 116.4° | 109.7° |
| C18 | C19 | C20 | 107.4° | 108.3° |
| C19 | C18 | H23 | 107.7° | 109.6° |
| C19 | C18 | H22 | 107.7° | 109.3° |
| C18 | C19 | H24 | 110.0° | 109.6° |
| C18 | C19 | H25 | 110.0° | 109.6° |
| C18 | C17 | N1 | 109.9° | 111.3° |
| C18 | C17 | C16 | 110.2° | 108.6° |
| C18 | C17 | H21 | 107.8° | 108.2° |
| C17 | C18 | H23 | 107.7° | 109.5° |
| C17 | C18 | H22 | 107.7° | 109.3° |
| C25 | C24 | C23 | 111.5° | 109.5° |
| C25 | C24 | C29 | 109.0° | 109.5° |
| C25 | C24 | H31 | 107.0° | 109.5° |
| C24 | C25 | H33 | 108.4° | 109.5° |
| C24 | C25 | H32 | 108.4° | 109.5° |
| C19 | C20 | C21 | 113.4° | 109.2° |
| C20 | C19 | H24 | 110.0° | 109.6° |
| C20 | C19 | H25 | 110.0° | 109.5° |
| C19 | C20 | H26 | 108.5° | 109.4° |
| C19 | C20 | H27 | 108.5° | 109.7° |
| C20 | C21 | N1 | 113.5° | 110.7° |
| C21 | C20 | H26 | 108.5° | 109.3° |
| C21 | C20 | H27 | 108.5° | 109.6° |
| C20 | C21 | H28 | 108.5° | 109.7° |
| C20 | C21 | H29 | 108.5° | 108.1° |
| C27 | C28 | C29 | 109.1° | 109.5° |
| C28 | C27 | H36 | 110.1° | 109.5° |
| C28 | C27 | H37 | 110.0° | 109.5° |
| C27 | C28 | H38 | 109.6° | 109.5° |
| C27 | C28 | H39 | 109.6° | 109.5° |
| N1 | C17 | C16 | 112.5° | 113.7° |
| C17 | N1 | C22 | 118.7° | 121.3° |
| C17 | N1 | C21 | 115.5° | 120.8° |
| N1 | C17 | H21 | 108.4° | 107.5° |
| C17 | C16 | O6 | 126.3° | 118.2° |
| C17 | C16 | O5 | 110.4° | 122.5° |
| C16 | C17 | H21 | 107.8° | 107.3° |
| C22 | N1 | C21 | 123.1° | 117.8° |
| N1 | C22 | O7 | 117.6° | 121.2° |
| N1 | C22 | C23 | 120.7° | 118.9° |
| N1 | C21 | H28 | 108.5° | 109.7° |
| N1 | C21 | H29 | 108.4° | 109.7° |
| O7 | C22 | C23 | 121.5° | 119.9° |
| C22 | C23 | C24 | 111.7° | 109.6° |
| C22 | C23 | C4 | 108.5° | 110.5° |
| C22 | C23 | H30 | 108.4° | 110.0° |
| C23 | C24 | C29 | 114.8° | 109.5° |
| C24 | C23 | C4 | 110.7° | 108.2° |
| C24 | C23 | H30 | 108.7° | 109.7° |
| C23 | C24 | H31 | 107.0° | 109.5° |
| C24 | C29 | C28 | 113.7° | 109.5° |
| C29 | C24 | H31 | 107.2° | 109.5° |
| C24 | C29 | H41 | 108.4° | 109.5° |
| C24 | C29 | H40 | 108.4° | 109.4° |
| C29 | C28 | H38 | 109.6° | 109.5° |
| C29 | C28 | H39 | 109.5° | 109.5° |
| C28 | C29 | H41 | 108.4° | 109.5° |
| C28 | C29 | H40 | 108.4° | 109.5° |
| C23 | C4 | C5 | 119.0° | 120.7° |
| C23 | C4 | C3 | 119.9° | 118.7° |
| C4 | C23 | H30 | 108.8° | 108.9° |
| O6 | C16 | O5 | 122.8° | 119.2° |
| C16 | O5 | C15 | 116.7° | 122.8° |
| O5 | C15 | C14 | 108.3° | 113.1° |
| O5 | C15 | H20 | 109.8° | 108.3° |
| O5 | C15 | H19 | 109.8° | 109.0° |
| C5 | C4 | C3 | 121.1° | 120.6° |
| C4 | C5 | C6 | 120.0° | 119.9° |
| C4 | C5 | H5 | 120.0° | 120.2° |
| C4 | C3 | C2 | 118.8° | 119.8° |
| C4 | C3 | H4 | 120.6° | 119.9° |
| C5 | C6 | O3 | 125.5° | 119.9° |
| C5 | C6 | C7 | 118.8° | 119.9° |
| C6 | C5 | H5 | 120.0° | 119.9° |
| C3 | C2 | C7 | 119.5° | 120.0° |
| C3 | C2 | O1 | 124.4° | 119.9° |
| C2 | C3 | H4 | 120.6° | 120.3° |
| C12 | C11 | O4 | 115.9° | 109.5° |
| C11 | C12 | C13 | 126.4° | 119.2° |
| C12 | C11 | H14 | 107.8° | 109.4° |
| C12 | C11 | H13 | 107.8° | 109.3° |
| C11 | C12 | H15 | 116.8° | 120.5° |
| C11 | O4 | C10 | 127.3° | 113.5° |
| O4 | C11 | H14 | 107.8° | 109.6° |
| O4 | C11 | H13 | 107.9° | 109.5° |
| C12 | C13 | C14 | 122.0° | 120.1° |
| C13 | C12 | H15 | 116.8° | 120.3° |
| C12 | C13 | H16 | 119.0° | 120.0° |
| C15 | C14 | C13 | 114.2° | 111.4° |
| C15 | C14 | H18 | 108.3° | 109.3° |
| C15 | C14 | H17 | 108.3° | 109.1° |
| C14 | C15 | H20 | 109.8° | 108.7° |
| C14 | C15 | H19 | 109.8° | 109.2° |
| C13 | C14 | H18 | 108.3° | 109.0° |
| C13 | C14 | H17 | 108.3° | 109.1° |
| C14 | C13 | H16 | 118.9° | 119.9° |
| O3 | C6 | C7 | 115.1° | 120.3° |
| C6 | O3 | C9 | 114.6° | 117.1° |
| C6 | C7 | C2 | 121.2° | 119.9° |
| C6 | C7 | O2 | 118.2° | 120.0° |
| O4 | C10 | C9 | 115.9° | 109.4° |
| O4 | C10 | H12 | 107.9° | 109.5° |
| O4 | C10 | H11 | 107.9° | 109.7° |
| C10 | C9 | O3 | 86.9° | 109.5° |
| C10 | C9 | H10 | 114.8° | 109.6° |
| C10 | C9 | H9 | 114.8° | 109.6° |
| C9 | C10 | H12 | 107.8° | 109.4° |
| C9 | C10 | H11 | 107.8° | 109.4° |
| O3 | C9 | H10 | 114.8° | 109.5° |
| O3 | C9 | H9 | 114.8° | 109.4° |
| C7 | C2 | O1 | 115.0° | 120.2° |
| C2 | C7 | O2 | 120.4° | 120.1° |
| C2 | O1 | C1 | 116.2° | 117.0° |
| O1 | C1 | H2 | 109.5° | 109.4° |
| O1 | C1 | H3 | 109.5° | 109.5° |
| O1 | C1 | H1 | 109.5° | 109.4° |
| C7 | O2 | C8 | 111.6° | 117.1° |
| O2 | C8 | H7 | 109.5° | 109.5° |
| O2 | C8 | H8 | 109.5° | 109.5° |
| O2 | C8 | H6 | 109.5° | 109.5° |
| H18 | C14 | H17 | 109.5° | 108.9° |
| H14 | C11 | H13 | 109.5° | 109.6° |
| H7 | C8 | H8 | 109.5° | 109.5° |
| H7 | C8 | H6 | 109.5° | 109.4° |
| H8 | C8 | H6 | 109.5° | 109.5° |
| H10 | C9 | H9 | 109.5° | 109.3° |
| H12 | C10 | H11 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H1 | 109.4° | 109.5° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H20 | C15 | H19 | 109.5° | 108.4° |
| H23 | C18 | H22 | 109.5° | 109.4° |
| H24 | C19 | H25 | 109.4° | 110.2° |
| H26 | C20 | H27 | 109.5° | 109.5° |
| H28 | C21 | H29 | 109.4° | 108.9° |
| H33 | C25 | H32 | 109.5° | 109.5° |
| H34 | C26 | H35 | 109.4° | 109.4° |
| H36 | C27 | H37 | 109.5° | 109.5° |
| H38 | C28 | H39 | 109.5° | 109.4° |
| H41 | C29 | H40 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C26 | C27 | H34 | 121.1° | 120.0° |
| C25 | C26 | C27 | H35 | 121.1° | 120.0° |
| C26 | C25 | C24 | H33 | 120.6° | 120.0° |
| C26 | C25 | C24 | H32 | 120.6° | 120.0° |
| C25 | C26 | C27 | C28 | 54.2° | 60.0° |
| C26 | C25 | C24 | C23 | 171.1° | 180.0° |
| C26 | C25 | C24 | C29 | 43.4° | 60.0° |
| C26 | C25 | C24 | H31 | 72.2° | 60.0° |
| C26 | C25 | H33 | H32 | 118.1° | 120.0° |
| C25 | C26 | H34 | H35 | 116.7° | 120.0° |
| C25 | C26 | C27 | H36 | 65.4° | 60.0° |
| C25 | C26 | C27 | H37 | 173.9° | 180.0° |
| C27 | C26 | C25 | C24 | 47.3° | 60.0° |
| C26 | C27 | C28 | H36 | 119.6° | 119.9° |
| C26 | C27 | C28 | H37 | 119.6° | 120.1° |
| C26 | C27 | C28 | C29 | 60.3° | 60.0° |
| C27 | C26 | C25 | H33 | 167.9° | 60.0° |
| C27 | C26 | C25 | H32 | 73.3° | 180.0° |
| C27 | C26 | H34 | H35 | 116.7° | 119.9° |
| C26 | C27 | H36 | H37 | 121.1° | 120.0° |
| C26 | C27 | C28 | H38 | 179.7° | 180.0° |
| C26 | C27 | C28 | H39 | 59.6° | 60.1° |
| C19 | C18 | C17 | H23 | 121.0° | 120.4° |
| C19 | C18 | C17 | H22 | 121.0° | 119.8° |
| C18 | C19 | C20 | H24 | 119.7° | 119.5° |
| C18 | C19 | C20 | H25 | 119.7° | 119.5° |
| C18 | C19 | C20 | C21 | 53.4° | 63.9° |
| C19 | C18 | C17 | N1 | 52.9° | 50.4° |
| C19 | C18 | C17 | C16 | 71.7° | 176.3° |
| C19 | C18 | C17 | H21 | 170.9° | 67.5° |
| C19 | C18 | H23 | H22 | 116.9° | 119.9° |
| C18 | C19 | H24 | H25 | 120.9° | 120.7° |
| C18 | C19 | C20 | H26 | 173.9° | 55.8° |
| C18 | C19 | C20 | H27 | 67.2° | 176.0° |
| C17 | C18 | C19 | C20 | 56.6° | 62.7° |
| C18 | C17 | N1 | C16 | 123.3° | 123.0° |
| C18 | C17 | N1 | H21 | 117.6° | 118.4° |
| C18 | C17 | C16 | H21 | 117.5° | 116.8° |
| C18 | C17 | N1 | C22 | 152.3° | 139.9° |
| C18 | C17 | N1 | C21 | 46.0° | 43.2° |
| C18 | C17 | C16 | O6 | 46.8° | 54.8° |
| C18 | C17 | C16 | O5 | 125.0° | 121.3° |
| C17 | C18 | H23 | H22 | 116.9° | 119.7° |
| C17 | C18 | C19 | H24 | 63.1° | 177.8° |
| C17 | C18 | C19 | H25 | 176.3° | 56.7° |
| C25 | C24 | C23 | C22 | 63.0° | 176.5° |
| C25 | C24 | C23 | C29 | 124.5° | 120.0° |
| C25 | C24 | C23 | H31 | 116.7° | 120.0° |
| C25 | C24 | C29 | H31 | 115.5° | 120.0° |
| C25 | C24 | C29 | C28 | 53.7° | 60.0° |
| C25 | C24 | C23 | C4 | 176.0° | 55.9° |
| C25 | C24 | C23 | H30 | 56.6° | 62.7° |
| C24 | C25 | H33 | H32 | 118.1° | 120.1° |
| C24 | C25 | C26 | H34 | 168.3° | 180.0° |
| C24 | C25 | C26 | H35 | 73.8° | 60.0° |
| C25 | C24 | C29 | H41 | 174.3° | 180.0° |
| C25 | C24 | C29 | H40 | 67.0° | 60.0° |
| C19 | C20 | C21 | H26 | 120.6° | 119.7° |
| C19 | C20 | C21 | H27 | 120.6° | 120.2° |
| C19 | C20 | C21 | N1 | 50.5° | 52.6° |
| C20 | C19 | C18 | H23 | 64.4° | 57.6° |
| C20 | C19 | C18 | H22 | 177.6° | 177.6° |
| C20 | C19 | H24 | H25 | 121.0° | 120.6° |
| C19 | C20 | H26 | H27 | 118.2° | 120.3° |
| C19 | C20 | C21 | H28 | 70.1° | 68.7° |
| C19 | C20 | C21 | H29 | 171.1° | 172.7° |
| C20 | C21 | N1 | C17 | 46.3° | 44.2° |
| C20 | C21 | N1 | C22 | 152.9° | 138.7° |
| C20 | C21 | N1 | H28 | 120.6° | 121.2° |
| C20 | C21 | N1 | H29 | 120.6° | 119.2° |
| C21 | C20 | C19 | H24 | 66.3° | 176.6° |
| C21 | C20 | C19 | H25 | 173.0° | 55.6° |
| C21 | C20 | H26 | H27 | 118.2° | 120.1° |
| C20 | C21 | H28 | H29 | 118.2° | 118.1° |
| C27 | C28 | C29 | C24 | 64.2° | 60.0° |
| C27 | C28 | C29 | H38 | 119.9° | 120.0° |
| C27 | C28 | C29 | H39 | 119.9° | 120.0° |
| C28 | C27 | C26 | H34 | 175.3° | 180.0° |
| C28 | C27 | C26 | H35 | 66.8° | 60.1° |
| C28 | C27 | H36 | H37 | 121.1° | 120.0° |
| C27 | C28 | H38 | H39 | 120.2° | 120.0° |
| C27 | C28 | C29 | H41 | 175.2° | 180.0° |
| C27 | C28 | C29 | H40 | 56.5° | 60.0° |
| N1 | C17 | C16 | H21 | 119.5° | 118.8° |
| C17 | N1 | C22 | C21 | 160.2° | 177.1° |
| C17 | N1 | C22 | O7 | 5.2° | 18.6° |
| C17 | N1 | C22 | C23 | 170.1° | 161.9° |
| N1 | C17 | C16 | O6 | 169.8° | 69.7° |
| N1 | C17 | C16 | O5 | 2.0° | 114.2° |
| N1 | C17 | C18 | H23 | 68.1° | 69.9° |
| N1 | C17 | C18 | H22 | 173.9° | 170.2° |
| C17 | N1 | C21 | H28 | 74.3° | 76.9° |
| C17 | N1 | C21 | H29 | 166.9° | 163.5° |
| C16 | C17 | N1 | C22 | 84.4° | 16.9° |
| C16 | C17 | N1 | C21 | 77.2° | 166.1° |
| C17 | C16 | O6 | O5 | 170.8° | 176.2° |
| C17 | C16 | O5 | C15 | 179.9° | 140.2° |
| C16 | C17 | C18 | H23 | 167.3° | 56.0° |
| C16 | C17 | C18 | H22 | 49.3° | 63.9° |
| N1 | C22 | O7 | C23 | 175.3° | 179.4° |
| N1 | C22 | C23 | C24 | 152.0° | 67.3° |
| N1 | C22 | C23 | C4 | 85.7° | 173.5° |
| C22 | N1 | C17 | H21 | 34.7° | 101.7° |
| C22 | N1 | C21 | H28 | 86.5° | 100.1° |
| C22 | N1 | C21 | H29 | 32.3° | 19.4° |
| N1 | C22 | C23 | H30 | 32.3° | 53.3° |
| C21 | N1 | C22 | O7 | 165.4° | 164.3° |
| C21 | N1 | C22 | C23 | 9.9° | 15.2° |
| C21 | N1 | C17 | H21 | 163.6° | 75.2° |
| N1 | C21 | C20 | H26 | 171.1° | 67.1° |
| N1 | C21 | C20 | H27 | 70.1° | 172.8° |
| N1 | C21 | H28 | H29 | 118.1° | 120.0° |
| O7 | C22 | C23 | C24 | 32.9° | 113.2° |
| O7 | C22 | C23 | C4 | 89.4° | 5.9° |
| O7 | C22 | C23 | H30 | 152.6° | 126.2° |
| C22 | C23 | C24 | C4 | 121.0° | 120.6° |
| C22 | C23 | C24 | H30 | 119.6° | 120.8° |
| C22 | C23 | C24 | C29 | 172.5° | 56.5° |
| C22 | C23 | C4 | H30 | 117.7° | 120.9° |
| C22 | C23 | C4 | C5 | 122.6° | 54.6° |
| C22 | C23 | C4 | C3 | 55.5° | 127.0° |
| C22 | C23 | C24 | H31 | 53.6° | 63.5° |
| C23 | C24 | C29 | H31 | 118.7° | 120.0° |
| C23 | C24 | C29 | C28 | 179.5° | 180.0° |
| C24 | C23 | C4 | H30 | 119.4° | 119.1° |
| C24 | C23 | C4 | C5 | 114.5° | 65.4° |
| C24 | C23 | C4 | C3 | 67.4° | 113.0° |
| C23 | C24 | C25 | H33 | 68.2° | 60.0° |
| C23 | C24 | C25 | H32 | 50.6° | 60.1° |
| C23 | C24 | C29 | H41 | 59.9° | 60.0° |
| C23 | C24 | C29 | H40 | 58.9° | 60.0° |
| C24 | C29 | C28 | H41 | 120.6° | 120.0° |
| C24 | C29 | C28 | H40 | 120.7° | 120.0° |
| C29 | C24 | C23 | C4 | 51.5° | 64.1° |
| C29 | C24 | C23 | H30 | 67.9° | 177.3° |
| C29 | C24 | C25 | H33 | 164.0° | 60.0° |
| C29 | C24 | C25 | H32 | 77.1° | 179.9° |
| C24 | C29 | C28 | H38 | 175.9° | 180.0° |
| C24 | C29 | C28 | H39 | 55.7° | 60.0° |
| C24 | C29 | H41 | H40 | 118.1° | 119.9° |
| C28 | C29 | C24 | H31 | 61.8° | 60.0° |
| C29 | C28 | C27 | H36 | 59.3° | 60.0° |
| C29 | C28 | C27 | H37 | 179.9° | 180.0° |
| C29 | C28 | H38 | H39 | 120.2° | 120.0° |
| C28 | C29 | H41 | H40 | 118.0° | 120.0° |
| C23 | C4 | C5 | C3 | 178.1° | 178.4° |
| C23 | C4 | C5 | C6 | 178.4° | 177.2° |
| C23 | C4 | C3 | C2 | 177.3° | 177.5° |
| C23 | C4 | C5 | H5 | 1.6° | 2.9° |
| C23 | C4 | C3 | H4 | 2.7° | 2.5° |
| C4 | C23 | C24 | H31 | 67.3° | 175.9° |
| O6 | C16 | O5 | C15 | 8.0° | 35.9° |
| O6 | C16 | C17 | H21 | 70.7° | 171.6° |
| C16 | O5 | C15 | C14 | 91.5° | 81.2° |
| C16 | O5 | C15 | H20 | 148.7° | 39.3° |
| C16 | O5 | C15 | H19 | 28.3° | 157.1° |
| O5 | C16 | C17 | H21 | 117.5° | 4.5° |
| O5 | C15 | C14 | H20 | 119.8° | 120.3° |
| O5 | C15 | C14 | H19 | 119.8° | 121.6° |
| O5 | C15 | C14 | C13 | 66.1° | 53.4° |
| O5 | C15 | C14 | H18 | 173.2° | 67.2° |
| O5 | C15 | C14 | H17 | 54.6° | 173.8° |
| O5 | C15 | H20 | H19 | 120.5° | 118.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.8° |
| C5 | C4 | C3 | C2 | 0.8° | 1.0° |
| C4 | C5 | C6 | O3 | 174.1° | 179.5° |
| C4 | C5 | C6 | C7 | 3.4° | 0.5° |
| C5 | C4 | C3 | H4 | 179.3° | 179.1° |
| C5 | C4 | C23 | H30 | 4.8° | 175.5° |
| C3 | C4 | C5 | C6 | 0.3° | 1.1° |
| C4 | C3 | C2 | H4 | 180.0° | 179.9° |
| C4 | C3 | C2 | C7 | 5.6° | 0.2° |
| C4 | C3 | C2 | O1 | 172.9° | 179.4° |
| C3 | C4 | C5 | H5 | 179.7° | 178.7° |
| C3 | C4 | C23 | H30 | 173.2° | 6.1° |
| C5 | C6 | O3 | C7 | 170.9° | 180.0° |
| C5 | C6 | O3 | C9 | 42.7° | 87.6° |
| C5 | C6 | C7 | C2 | 8.4° | 0.3° |
| C5 | C6 | C7 | O2 | 177.0° | 179.9° |
| C3 | C2 | C7 | C6 | 9.5° | 0.5° |
| C3 | C2 | C7 | O1 | 168.4° | 179.6° |
| C3 | C2 | O1 | C1 | 9.8° | 0.0° |
| C3 | C2 | C7 | O2 | 176.0° | 179.9° |
| C12 | C11 | O4 | H14 | 120.9° | 120.0° |
| C12 | C11 | O4 | H13 | 120.9° | 119.8° |
| C11 | C12 | C13 | H15 | 180.0° | 179.9° |
| C11 | C12 | C13 | C14 | 161.5° | 179.5° |
| C12 | C11 | O4 | C10 | 82.9° | 134.8° |
| C12 | C11 | H14 | H13 | 117.0° | 119.8° |
| C11 | C12 | C13 | H16 | 18.5° | 0.8° |
| O4 | C11 | C12 | C13 | 39.2° | 67.5° |
| C11 | O4 | C10 | C9 | 80.6° | 150.3° |
| O4 | C11 | H14 | H13 | 117.1° | 120.2° |
| C11 | O4 | C10 | H12 | 40.3° | 89.9° |
| C11 | O4 | C10 | H11 | 158.5° | 30.3° |
| O4 | C11 | C12 | H15 | 140.8° | 112.6° |
| C12 | C13 | C14 | C15 | 117.9° | 128.3° |
| C12 | C13 | C14 | H16 | 180.0° | 179.8° |
| C12 | C13 | C14 | H18 | 121.4° | 111.0° |
| C12 | C13 | C14 | H17 | 2.8° | 7.8° |
| C13 | C12 | C11 | H14 | 160.2° | 52.6° |
| C13 | C12 | C11 | H13 | 81.7° | 172.6° |
| C15 | C14 | C13 | H18 | 120.7° | 120.7° |
| C15 | C14 | C13 | H17 | 120.7° | 120.5° |
| C15 | C14 | H18 | H17 | 117.8° | 119.1° |
| C15 | C14 | C13 | H16 | 62.1° | 51.4° |
| C14 | C15 | H20 | H19 | 120.5° | 118.6° |
| C13 | C14 | H18 | H17 | 117.8° | 118.9° |
| C14 | C13 | C12 | H15 | 18.5° | 0.6° |
| C13 | C14 | C15 | H20 | 53.7° | 173.7° |
| C13 | C14 | C15 | H19 | 174.1° | 68.2° |
| C6 | O3 | C9 | C10 | 80.7° | 138.6° |
| O3 | C6 | C7 | C2 | 180.0° | 179.7° |
| O3 | C6 | C7 | O2 | 5.4° | 0.1° |
| O3 | C6 | C5 | H5 | 5.9° | 0.7° |
| C6 | O3 | C9 | H10 | 163.3° | 101.2° |
| C6 | O3 | C9 | H9 | 35.2° | 18.6° |
| C7 | C6 | O3 | C9 | 146.3° | 92.4° |
| C6 | C7 | C2 | O2 | 174.4° | 179.6° |
| C6 | C7 | C2 | O1 | 178.0° | 180.0° |
| C6 | C7 | O2 | C8 | 86.2° | 90.0° |
| C7 | C6 | C5 | H5 | 176.6° | 179.3° |
| O4 | C10 | C9 | H12 | 121.0° | 120.0° |
| O4 | C10 | C9 | H11 | 120.9° | 120.2° |
| O4 | C10 | C9 | O3 | 163.9° | 154.8° |
| C10 | O4 | C11 | H14 | 156.2° | 14.9° |
| C10 | O4 | C11 | H13 | 38.0° | 105.4° |
| O4 | C10 | C9 | H10 | 80.2° | 85.1° |
| O4 | C10 | C9 | H9 | 48.0° | 34.9° |
| O4 | C10 | H12 | H11 | 117.1° | 120.3° |
| C10 | C9 | O3 | H10 | 116.0° | 120.2° |
| C10 | C9 | O3 | H9 | 115.9° | 120.0° |
| C10 | C9 | H10 | H9 | 130.8° | 120.1° |
| C9 | C10 | H12 | H11 | 117.1° | 119.8° |
| O3 | C9 | H10 | H9 | 130.7° | 119.8° |
| O3 | C9 | C10 | H12 | 42.9° | 85.2° |
| O3 | C9 | C10 | H11 | 75.2° | 34.6° |
| C7 | C2 | O1 | C1 | 177.6° | 179.6° |
| C2 | C7 | O2 | C8 | 88.4° | 89.7° |
| C7 | C2 | C3 | H4 | 174.4° | 179.9° |
| O1 | C2 | C7 | O2 | 7.6° | 0.3° |
| O1 | C2 | C3 | H4 | 7.2° | 0.5° |
| C2 | O1 | C1 | H2 | 180.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 60.0° |
| C2 | O1 | C1 | H1 | 60.0° | 180.0° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H1 | 120.0° | 119.9° |
| O1 | C1 | H3 | H1 | 120.0° | 119.9° |
| C7 | O2 | C8 | H7 | 180.0° | 60.0° |
| C7 | O2 | C8 | H8 | 60.0° | 180.0° |
| C7 | O2 | C8 | H6 | 60.0° | 60.0° |
| O2 | C8 | H7 | H8 | 120.0° | 120.0° |
| O2 | C8 | H7 | H6 | 120.0° | 120.0° |
| O2 | C8 | H8 | H6 | 120.0° | 120.1° |
| H18 | C14 | C13 | H16 | 58.6° | 69.3° |
| H18 | C14 | C15 | H20 | 67.0° | 53.1° |
| H18 | C14 | C15 | H19 | 53.4° | 171.3° |
| H17 | C14 | C13 | H16 | 177.2° | 171.9° |
| H17 | C14 | C15 | H20 | 174.4° | 65.9° |
| H17 | C14 | C15 | H19 | 65.2° | 52.3° |
| H14 | C11 | C12 | H15 | 19.8° | 127.3° |
| H13 | C11 | C12 | H15 | 98.3° | 7.3° |
| H7 | C8 | H8 | H6 | 120.0° | 120.0° |
| H10 | C9 | C10 | H12 | 158.9° | 34.9° |
| H10 | C9 | C10 | H11 | 40.8° | 154.7° |
| H9 | C9 | C10 | H12 | 73.0° | 154.8° |
| H9 | C9 | C10 | H11 | 168.9° | 85.3° |
| H15 | C12 | C13 | H16 | 161.5° | 179.2° |
| H2 | C1 | H3 | H1 | 120.0° | 120.1° |
| H21 | C17 | C18 | H23 | 49.9° | 172.1° |
| H21 | C17 | C18 | H22 | 68.1° | 52.3° |
| H23 | C18 | C19 | H24 | 175.9° | 61.9° |
| H23 | C18 | C19 | H25 | 55.3° | 177.0° |
| H22 | C18 | C19 | H24 | 57.9° | 58.0° |
| H22 | C18 | C19 | H25 | 62.7° | 63.0° |
| H24 | C19 | C20 | H26 | 54.3° | 63.7° |
| H24 | C19 | C20 | H27 | 173.1° | 56.5° |
| H25 | C19 | C20 | H26 | 66.4° | 175.3° |
| H25 | C19 | C20 | H27 | 52.5° | 64.5° |
| H26 | C20 | C21 | H28 | 50.5° | 171.6° |
| H26 | C20 | C21 | H29 | 68.4° | 53.0° |
| H27 | C20 | C21 | H28 | 169.3° | 51.5° |
| H27 | C20 | C21 | H29 | 50.5° | 67.0° |
| H30 | C23 | C24 | H31 | 173.2° | 57.3° |
| H31 | C24 | C25 | H33 | 48.4° | NaN° |
| H31 | C24 | C25 | H32 | 167.2° | 59.9° |
| H31 | C24 | C29 | H41 | 58.8° | 60.0° |
| H31 | C24 | C29 | H40 | 177.5° | 180.0° |
| H33 | C25 | C26 | H34 | 71.1° | 60.0° |
| H33 | C25 | C26 | H35 | 46.8° | 180.0° |
| H32 | C25 | C26 | H34 | 47.7° | 60.0° |
| H32 | C25 | C26 | H35 | 165.6° | 60.0° |
| H34 | C26 | C27 | H36 | 55.7° | 60.1° |
| H34 | C26 | C27 | H37 | 65.1° | 60.0° |
| H35 | C26 | C27 | H36 | 173.5° | 180.0° |
| H35 | C26 | C27 | H37 | 52.8° | 60.0° |
| H36 | C27 | C28 | H38 | 60.6° | 60.0° |
| H36 | C27 | C28 | H39 | 179.3° | 180.0° |
| H37 | C27 | C28 | H38 | 60.1° | 60.0° |
| H37 | C27 | C28 | H39 | 60.0° | 60.0° |
| H38 | C28 | C29 | H41 | 55.2° | 60.0° |
| H38 | C28 | C29 | H40 | 63.5° | 60.0° |
| H39 | C28 | C29 | H41 | 64.9° | 60.0° |
| H39 | C28 | C29 | H40 | 176.4° | 180.0° |
