A1IOG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C22 | sing | 1.53Å | 1.49Å | |
| C21 | C20 | sing | 1.53Å | 1.52Å | |
| C29 | C28 | sing | 1.53Å | 1.46Å | |
| C29 | C30 | sing | 1.53Å | 1.50Å | |
| C28 | C27 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.49Å | |
| C30 | C31 | sing | 1.53Å | 1.51Å | |
| C23 | C24 | sing | 1.53Å | 1.50Å | |
| C20 | N1 | sing | 1.46Å | 1.46Å | |
| C20 | C19 | sing | 1.50Å | 1.53Å | |
| N1 | C24 | sing | 1.47Å | 1.47Å | |
| N1 | C25 | sing | 1.36Å | 1.36Å | |
| C25 | O8 | doub | 1.21Å | 1.24Å | |
| C25 | C26 | sing | 1.51Å | 1.51Å | |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C27 | C32 | sing | 1.53Å | 1.51Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| O7 | C19 | doub | 1.20Å | 1.18Å | |
| C26 | C4 | sing | 1.51Å | 1.52Å | |
| C19 | O6 | sing | 1.32Å | 1.34Å | |
| O6 | C17 | sing | 1.43Å | 1.46Å | |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C15 | sing | 1.52Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.55Å | |
| C13 | C14 | doub | 1.32Å | 1.31Å | |
| C13 | C12 | sing | 1.51Å | 1.48Å | |
| C15 | C14 | sing | 1.50Å | 1.49Å | |
| C15 | C16 | sing | 1.53Å | 1.59Å | |
| O5 | C12 | sing | 1.43Å | 1.34Å | |
| O5 | C10 | sing | 1.43Å | 1.43Å | |
| C6 | O3 | sing | 1.36Å | 1.34Å | |
| C6 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C9 | O3 | sing | 1.43Å | 1.43Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| C2 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | O1 | sing | 1.36Å | 1.36Å | |
| C10 | C11 | sing | 1.53Å | 1.47Å | |
| C7 | O2 | sing | 1.36Å | 1.38Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C11 | O4 | sing | 1.43Å | 1.43Å | |
| O2 | C8 | sing | 1.43Å | 1.41Å | |
| C14 | H18 | sing | 1.07Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | 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 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | 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 | |
| O4 | H14 | sing | 0.97Å | 0.95Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.11Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.10Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C27 | H37 | sing | 1.09Å | 1.10Å | |
| C28 | H39 | sing | 1.09Å | 1.10Å | |
| C28 | H38 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | H41 | sing | 1.09Å | 1.10Å | |
| C30 | H42 | sing | 1.09Å | 1.10Å | |
| C30 | H43 | sing | 1.09Å | 1.10Å | |
| C31 | H44 | sing | 1.09Å | 1.10Å | |
| C31 | H45 | sing | 1.09Å | 1.10Å | |
| C32 | H47 | sing | 1.09Å | 1.10Å | |
| C32 | H46 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C21 | C20 | 110.2° | 110.1° |
| C21 | C22 | C23 | 110.6° | 108.1° |
| C22 | C21 | H29 | 109.3° | 109.4° |
| C22 | C21 | H28 | 109.3° | 109.1° |
| C21 | C22 | H30 | 109.2° | 109.9° |
| C21 | C22 | H31 | 109.2° | 109.7° |
| C21 | C20 | N1 | 114.5° | 112.1° |
| C21 | C20 | C19 | 107.2° | 107.2° |
| C21 | C20 | H27 | 107.7° | 107.3° |
| C20 | C21 | H29 | 109.3° | 109.7° |
| C20 | C21 | H28 | 109.3° | 109.4° |
| C28 | C29 | C30 | 111.0° | 109.5° |
| C29 | C28 | C27 | 107.9° | 109.5° |
| C29 | C28 | H39 | 109.9° | 109.5° |
| C29 | C28 | H38 | 109.9° | 109.5° |
| C28 | C29 | H40 | 109.1° | 109.5° |
| C28 | C29 | H41 | 109.1° | 109.5° |
| C29 | C30 | C31 | 101.1° | 109.5° |
| C30 | C29 | H40 | 109.1° | 109.5° |
| C30 | C29 | H41 | 109.1° | 109.5° |
| C29 | C30 | H42 | 111.5° | 109.5° |
| C29 | C30 | H43 | 111.5° | 109.5° |
| C28 | C27 | C26 | 111.2° | 109.5° |
| C28 | C27 | C32 | 108.2° | 109.5° |
| C28 | C27 | H37 | 107.7° | 109.5° |
| C27 | C28 | H39 | 109.8° | 109.5° |
| C27 | C28 | H38 | 109.9° | 109.5° |
| C22 | C23 | C24 | 113.6° | 108.7° |
| C23 | C22 | H30 | 109.1° | 109.7° |
| C23 | C22 | H31 | 109.2° | 109.6° |
| C22 | C23 | H32 | 108.4° | 109.5° |
| C22 | C23 | H33 | 108.4° | 109.4° |
| C30 | C31 | C32 | 110.1° | 109.5° |
| C31 | C30 | H42 | 111.5° | 109.5° |
| C31 | C30 | H43 | 111.5° | 109.5° |
| C30 | C31 | H44 | 109.3° | 109.5° |
| C30 | C31 | H45 | 109.3° | 109.5° |
| C23 | C24 | N1 | 112.6° | 111.4° |
| C24 | C23 | H32 | 108.4° | 109.8° |
| C24 | C23 | H33 | 108.4° | 109.9° |
| C23 | C24 | H34 | 108.7° | 109.1° |
| C23 | C24 | H35 | 108.7° | 108.7° |
| N1 | C20 | C19 | 111.0° | 114.2° |
| C20 | N1 | C24 | 115.3° | 120.8° |
| C20 | N1 | C25 | 116.0° | 121.5° |
| N1 | C20 | H27 | 108.5° | 108.0° |
| C20 | C19 | O7 | 120.4° | 117.5° |
| C20 | C19 | O6 | 113.3° | 123.1° |
| C19 | C20 | H27 | 107.7° | 107.8° |
| C24 | N1 | C25 | 128.0° | 117.6° |
| N1 | C24 | H34 | 108.7° | 109.2° |
| N1 | C24 | H35 | 108.7° | 109.5° |
| N1 | C25 | O8 | 120.7° | 121.3° |
| N1 | C25 | C26 | 120.0° | 119.2° |
| O8 | C25 | C26 | 118.9° | 119.5° |
| C25 | C26 | C27 | 111.8° | 109.3° |
| C25 | C26 | C4 | 109.3° | 111.1° |
| C25 | C26 | H36 | 108.7° | 109.9° |
| C26 | C27 | C32 | 113.9° | 109.5° |
| C27 | C26 | C4 | 109.9° | 108.4° |
| C27 | C26 | H36 | 108.5° | 109.3° |
| C26 | C27 | H37 | 107.7° | 109.5° |
| C27 | C32 | C31 | 112.8° | 109.5° |
| C32 | C27 | H37 | 107.9° | 109.5° |
| C27 | C32 | H47 | 108.6° | 109.4° |
| C27 | C32 | H46 | 108.6° | 109.5° |
| C32 | C31 | H44 | 109.3° | 109.5° |
| C32 | C31 | H45 | 109.3° | 109.4° |
| C31 | C32 | H47 | 108.6° | 109.5° |
| C31 | C32 | H46 | 108.6° | 109.5° |
| O7 | C19 | O6 | 126.2° | 119.3° |
| C26 | C4 | C5 | 120.0° | 120.7° |
| C26 | C4 | C3 | 119.6° | 119.4° |
| C4 | C26 | H36 | 108.5° | 108.7° |
| C19 | O6 | C17 | 110.9° | 122.1° |
| O6 | C17 | C15 | 106.5° | 114.4° |
| O6 | C17 | C18 | 107.3° | 108.9° |
| O6 | C17 | H23 | 111.1° | 108.5° |
| C5 | C4 | C3 | 120.5° | 120.0° |
| C4 | C5 | C6 | 117.6° | 120.2° |
| C4 | C5 | H5 | 121.2° | 120.4° |
| C4 | C3 | C2 | 120.5° | 120.2° |
| C4 | C3 | H4 | 119.7° | 120.0° |
| C5 | C6 | O3 | 124.0° | 120.0° |
| C5 | C6 | C7 | 122.5° | 119.7° |
| C6 | C5 | H5 | 121.2° | 119.4° |
| C3 | C2 | C7 | 119.8° | 120.0° |
| C3 | C2 | O1 | 125.8° | 120.1° |
| C2 | C3 | H4 | 119.8° | 119.8° |
| C15 | C17 | C18 | 112.1° | 108.7° |
| C17 | C15 | C14 | 120.5° | 112.3° |
| C17 | C15 | C16 | 116.8° | 108.7° |
| C17 | C15 | H19 | 109.5° | 109.2° |
| C15 | C17 | H23 | 110.0° | 108.3° |
| C18 | C17 | H23 | 109.8° | 108.0° |
| C17 | C18 | H25 | 109.5° | 109.5° |
| C17 | C18 | H26 | 109.5° | 109.5° |
| C17 | C18 | H24 | 109.5° | 109.5° |
| C14 | C13 | C12 | 113.0° | 120.9° |
| C13 | C14 | C15 | 126.5° | 118.2° |
| C13 | C14 | H18 | 116.8° | 120.6° |
| C14 | C13 | H17 | 123.5° | 119.5° |
| C13 | C12 | O5 | 110.9° | 109.0° |
| C13 | C12 | H16 | 109.1° | 109.8° |
| C13 | C12 | H15 | 109.1° | 109.3° |
| C12 | C13 | H17 | 123.5° | 119.6° |
| C14 | C15 | C16 | 89.6° | 108.9° |
| C15 | C14 | H18 | 116.8° | 121.2° |
| C14 | C15 | H19 | 110.2° | 109.0° |
| C16 | C15 | H19 | 108.8° | 108.7° |
| C15 | C16 | H21 | 109.5° | 109.5° |
| C15 | C16 | H22 | 109.5° | 109.5° |
| C15 | C16 | H20 | 109.5° | 109.5° |
| C12 | O5 | C10 | 119.5° | 114.9° |
| O5 | C12 | H16 | 109.1° | 109.8° |
| O5 | C12 | H15 | 109.1° | 109.4° |
| O5 | C10 | C9 | 98.3° | 109.4° |
| O5 | C10 | C11 | 119.1° | 109.5° |
| O5 | C10 | H11 | 109.1° | 109.4° |
| O3 | C6 | C7 | 110.5° | 120.2° |
| C6 | O3 | C9 | 125.4° | 117.5° |
| C6 | C7 | C2 | 118.1° | 119.9° |
| C6 | C7 | O2 | 120.1° | 120.1° |
| O3 | C9 | C10 | 96.9° | 109.8° |
| O3 | C9 | H9 | 112.5° | 109.4° |
| O3 | C9 | H10 | 112.5° | 109.6° |
| C9 | C10 | C11 | 113.1° | 109.6° |
| C10 | C9 | H9 | 112.5° | 109.2° |
| C10 | C9 | H10 | 112.5° | 109.5° |
| C9 | C10 | H11 | 108.1° | 109.4° |
| C7 | C2 | O1 | 114.4° | 120.0° |
| C2 | C7 | O2 | 121.7° | 120.0° |
| C2 | O1 | C1 | 121.5° | 117.0° |
| C10 | C11 | O4 | 108.0° | 109.5° |
| C10 | C11 | H12 | 109.8° | 109.4° |
| C10 | C11 | H13 | 109.9° | 109.5° |
| C11 | C10 | H11 | 108.5° | 109.5° |
| C7 | O2 | C8 | 114.1° | 117.0° |
| O1 | C1 | H2 | 109.5° | 109.5° |
| O1 | C1 | H3 | 109.5° | 109.4° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O4 | C11 | H12 | 109.8° | 109.5° |
| O4 | C11 | H13 | 109.8° | 109.5° |
| C11 | O4 | H14 | 109.5° | 114.0° |
| O2 | C8 | H7 | 109.5° | 109.5° |
| O2 | C8 | H8 | 109.5° | 109.5° |
| O2 | C8 | H6 | 109.4° | 109.5° |
| H12 | C11 | H13 | 109.4° | 109.5° |
| H7 | C8 | H8 | 109.5° | 109.4° |
| H7 | C8 | H6 | 109.5° | 109.5° |
| H8 | C8 | H6 | 109.5° | 109.5° |
| H9 | C9 | H10 | 109.5° | 109.3° |
| H16 | C12 | H15 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H1 | 109.4° | 109.4° |
| H3 | C1 | H1 | 109.5° | 109.5° |
| H21 | C16 | H22 | 109.5° | 109.5° |
| H21 | C16 | H20 | 109.5° | 109.5° |
| H22 | C16 | H20 | 109.4° | 109.5° |
| H25 | C18 | H26 | 109.5° | 109.4° |
| H25 | C18 | H24 | 109.5° | 109.5° |
| H26 | C18 | H24 | 109.5° | 109.5° |
| H29 | C21 | H28 | 109.5° | 109.1° |
| H30 | C22 | H31 | 109.5° | 109.8° |
| H32 | C23 | H33 | 109.5° | 109.6° |
| H34 | C24 | H35 | 109.4° | 108.9° |
| H39 | C28 | H38 | 109.4° | 109.5° |
| H40 | C29 | H41 | 109.5° | 109.4° |
| H42 | C30 | H43 | 109.5° | 109.5° |
| H44 | C31 | H45 | 109.5° | 109.5° |
| H47 | C32 | H46 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C21 | C20 | H29 | 120.1° | 120.5° |
| C22 | C21 | C20 | H28 | 120.1° | 119.9° |
| C21 | C22 | C23 | H30 | 120.2° | 119.8° |
| C21 | C22 | C23 | H31 | 120.2° | 119.6° |
| C21 | C22 | C23 | C24 | 55.8° | 64.8° |
| C22 | C21 | C20 | N1 | 51.1° | 48.5° |
| C22 | C21 | C20 | C19 | 72.5° | 174.5° |
| C22 | C21 | C20 | H27 | 171.9° | 69.9° |
| C22 | C21 | H29 | H28 | 119.6° | 119.4° |
| C21 | C22 | H30 | H31 | 119.5° | 120.8° |
| C21 | C22 | C23 | H32 | 176.4° | 55.2° |
| C21 | C22 | C23 | H33 | 64.8° | 175.3° |
| C20 | C21 | C22 | C23 | 54.9° | 62.6° |
| C21 | C20 | N1 | C19 | 121.5° | 122.1° |
| C21 | C20 | N1 | H27 | 120.4° | 118.0° |
| C21 | C20 | C19 | H27 | 115.7° | 115.3° |
| C21 | C20 | N1 | C24 | 46.3° | 39.9° |
| C21 | C20 | N1 | C25 | 142.9° | 143.4° |
| C21 | C20 | C19 | O7 | 52.6° | 61.6° |
| C21 | C20 | C19 | O6 | 130.5° | 114.7° |
| C20 | C21 | H29 | H28 | 119.7° | 119.8° |
| C20 | C21 | C22 | H30 | 65.3° | 177.8° |
| C20 | C21 | C22 | H31 | 175.0° | 56.9° |
| C28 | C29 | C30 | H40 | 120.2° | 120.0° |
| C28 | C29 | C30 | H41 | 120.2° | 120.0° |
| C29 | C28 | C27 | H39 | 119.8° | 120.0° |
| C29 | C28 | C27 | H38 | 119.8° | 120.0° |
| C28 | C29 | C30 | C31 | 72.5° | 60.0° |
| C29 | C28 | C27 | C26 | 179.0° | 180.0° |
| C29 | C28 | C27 | C32 | 55.2° | 60.0° |
| C29 | C28 | C27 | H37 | 61.2° | 60.0° |
| C29 | C28 | H39 | H38 | 120.7° | 120.0° |
| C28 | C29 | H40 | H41 | 119.3° | 120.0° |
| C28 | C29 | C30 | H42 | 46.2° | 60.0° |
| C28 | C29 | C30 | H43 | 168.9° | 180.0° |
| C30 | C29 | C28 | C27 | 70.5° | 60.0° |
| C29 | C30 | C31 | H42 | 118.6° | 120.0° |
| C29 | C30 | C31 | H43 | 118.6° | 120.0° |
| C29 | C30 | C31 | C32 | 62.9° | 60.0° |
| C30 | C29 | C28 | H39 | 169.8° | 60.0° |
| C30 | C29 | C28 | H38 | 49.3° | 180.0° |
| C30 | C29 | H40 | H41 | 119.3° | 120.0° |
| C29 | C30 | H42 | H43 | 123.9° | 120.0° |
| C29 | C30 | C31 | H44 | 177.0° | 180.0° |
| C29 | C30 | C31 | H45 | 57.2° | 60.0° |
| C28 | C27 | C26 | C25 | 65.1° | 173.9° |
| C28 | C27 | C26 | C32 | 122.6° | 120.0° |
| C28 | C27 | C26 | H37 | 117.8° | 120.0° |
| C28 | C27 | C32 | H37 | 116.3° | 120.0° |
| C28 | C27 | C32 | C31 | 50.4° | 60.0° |
| C28 | C27 | C26 | C4 | 173.3° | 64.9° |
| C28 | C27 | C26 | H36 | 54.8° | 53.6° |
| C27 | C28 | H39 | H38 | 120.7° | 120.0° |
| C27 | C28 | C29 | H40 | 169.3° | 180.0° |
| C27 | C28 | C29 | H41 | 49.8° | 60.0° |
| C28 | C27 | C32 | H47 | 170.8° | 180.0° |
| C28 | C27 | C32 | H46 | 70.1° | 60.0° |
| C22 | C23 | C24 | H32 | 120.6° | 119.7° |
| C22 | C23 | C24 | H33 | 120.6° | 119.6° |
| C22 | C23 | C24 | N1 | 49.7° | 52.9° |
| C23 | C22 | C21 | H29 | 65.3° | 58.0° |
| C23 | C22 | C21 | H28 | 175.0° | 177.4° |
| C23 | C22 | H30 | H31 | 119.4° | 120.5° |
| C22 | C23 | H32 | H33 | 118.1° | 120.0° |
| C22 | C23 | C24 | H34 | 70.8° | 67.7° |
| C22 | C23 | C24 | H35 | 170.1° | 173.7° |
| C30 | C31 | C32 | C27 | 57.4° | 60.0° |
| C30 | C31 | C32 | H44 | 120.1° | 120.0° |
| C30 | C31 | C32 | H45 | 120.1° | 120.0° |
| C31 | C30 | C29 | H40 | 167.3° | 180.0° |
| C31 | C30 | C29 | H41 | 47.8° | 60.0° |
| C31 | C30 | H42 | H43 | 123.9° | 120.0° |
| C30 | C31 | H44 | H45 | 119.7° | 120.0° |
| C30 | C31 | C32 | H47 | 177.9° | 180.0° |
| C30 | C31 | C32 | H46 | 63.1° | 60.0° |
| C23 | C24 | N1 | C20 | 44.6° | 42.3° |
| C23 | C24 | N1 | H34 | 120.5° | 120.6° |
| C23 | C24 | N1 | H35 | 120.5° | 120.3° |
| C23 | C24 | N1 | C25 | 146.0° | 140.8° |
| C24 | C23 | C22 | H30 | 64.4° | 175.5° |
| C24 | C23 | C22 | H31 | 176.0° | 54.8° |
| C24 | C23 | H32 | H33 | 118.1° | 120.8° |
| C23 | C24 | H34 | H35 | 118.5° | 118.5° |
| N1 | C20 | C19 | H27 | 118.7° | 120.0° |
| C20 | N1 | C24 | C25 | 169.4° | 176.9° |
| C20 | N1 | C25 | O8 | 4.4° | 23.2° |
| C20 | N1 | C25 | C26 | 176.0° | 155.1° |
| N1 | C20 | C19 | O7 | 178.3° | 63.1° |
| N1 | C20 | C19 | O6 | 4.9° | 120.5° |
| N1 | C20 | C21 | H29 | 69.0° | 72.0° |
| N1 | C20 | C21 | H28 | 171.2° | 168.4° |
| C20 | N1 | C24 | H34 | 75.9° | 78.3° |
| C20 | N1 | C24 | H35 | 165.0° | 162.6° |
| C19 | C20 | N1 | C24 | 75.2° | 162.0° |
| C19 | C20 | N1 | C25 | 95.6° | 21.3° |
| C20 | C19 | O7 | O6 | 176.4° | 176.5° |
| C20 | C19 | O6 | C17 | 179.8° | 134.5° |
| C19 | C20 | C21 | H29 | 167.4° | 54.1° |
| C19 | C20 | C21 | H28 | 47.6° | 65.6° |
| C24 | N1 | C25 | O8 | 165.0° | 160.0° |
| C24 | N1 | C25 | C26 | 6.6° | 21.8° |
| C24 | N1 | C20 | H27 | 166.7° | 78.2° |
| N1 | C24 | C23 | H32 | 170.3° | 66.8° |
| N1 | C24 | C23 | H33 | 71.0° | 172.5° |
| N1 | C24 | H34 | H35 | 118.6° | 119.5° |
| N1 | C25 | O8 | C26 | 171.7° | 178.2° |
| N1 | C25 | C26 | C27 | 154.0° | 63.6° |
| N1 | C25 | C26 | C4 | 84.0° | 176.7° |
| C25 | N1 | C20 | H27 | 22.6° | 98.6° |
| C25 | N1 | C24 | H34 | 93.5° | 98.6° |
| C25 | N1 | C24 | H35 | 25.5° | 20.5° |
| N1 | C25 | C26 | H36 | 34.2° | 56.3° |
| O8 | C25 | C26 | C27 | 34.2° | 114.6° |
| O8 | C25 | C26 | C4 | 87.8° | 5.0° |
| O8 | C25 | C26 | H36 | 154.0° | 125.4° |
| C25 | C26 | C27 | C4 | 121.6° | 121.2° |
| C25 | C26 | C27 | H36 | 119.9° | 120.4° |
| C25 | C26 | C27 | C32 | 172.4° | 66.1° |
| C25 | C26 | C4 | H36 | 118.4° | 121.1° |
| C25 | C26 | C4 | C5 | 120.0° | 60.1° |
| C25 | C26 | C4 | C3 | 59.8° | 120.8° |
| C25 | C26 | C27 | H37 | 52.7° | 53.9° |
| C26 | C27 | C32 | H37 | 119.6° | 120.0° |
| C26 | C27 | C32 | C31 | 174.5° | 180.0° |
| C27 | C26 | C4 | H36 | 118.5° | 118.8° |
| C27 | C26 | C4 | C5 | 116.9° | 60.0° |
| C27 | C26 | C4 | C3 | 63.2° | 119.1° |
| C26 | C27 | C28 | H39 | 59.2° | 60.0° |
| C26 | C27 | C28 | H38 | 61.2° | 60.0° |
| C26 | C27 | C32 | H47 | 65.0° | 60.0° |
| C26 | C27 | C32 | H46 | 54.0° | 59.9° |
| C27 | C32 | C31 | H47 | 120.5° | 120.0° |
| C27 | C32 | C31 | H46 | 120.5° | 120.0° |
| C32 | C27 | C26 | C4 | 50.7° | 55.1° |
| C32 | C27 | C26 | H36 | 67.7° | 173.5° |
| C32 | C27 | C28 | H39 | 175.0° | 60.0° |
| C32 | C27 | C28 | H38 | 64.6° | 180.0° |
| C27 | C32 | C31 | H44 | 177.5° | 180.0° |
| C27 | C32 | C31 | H45 | 62.7° | 60.0° |
| C27 | C32 | H47 | H46 | 118.5° | 120.0° |
| C31 | C32 | C27 | H37 | 65.9° | 60.0° |
| C32 | C31 | C30 | H42 | 55.8° | 60.0° |
| C32 | C31 | C30 | H43 | 178.5° | 180.0° |
| C32 | C31 | H44 | H45 | 119.7° | 120.0° |
| C31 | C32 | H47 | H46 | 118.5° | 120.0° |
| O7 | C19 | O6 | C17 | 3.5° | 41.8° |
| O7 | C19 | C20 | H27 | 63.0° | 176.9° |
| C26 | C4 | C5 | C3 | 179.9° | 179.2° |
| C26 | C4 | C5 | C6 | 173.6° | 177.9° |
| C26 | C4 | C3 | C2 | 178.3° | 177.9° |
| C26 | C4 | C5 | H5 | 6.4° | 1.9° |
| C26 | C4 | C3 | H4 | 1.7° | 1.5° |
| C4 | C26 | C27 | H37 | 68.9° | 175.2° |
| C19 | O6 | C17 | C15 | 103.1° | 109.7° |
| C19 | O6 | C17 | C18 | 136.8° | 128.5° |
| C19 | O6 | C17 | H23 | 16.7° | 11.3° |
| O6 | C19 | C20 | H27 | 113.8° | 0.6° |
| O6 | C17 | C15 | C18 | 117.0° | 121.9° |
| O6 | C17 | C15 | H23 | 120.5° | 121.1° |
| O6 | C17 | C18 | H23 | 120.8° | 117.6° |
| O6 | C17 | C15 | C14 | 61.6° | 27.6° |
| O6 | C17 | C15 | C16 | 168.3° | 148.2° |
| O6 | C17 | C15 | H19 | 67.6° | 93.4° |
| O6 | C17 | C18 | H25 | 180.0° | 65.2° |
| O6 | C17 | C18 | H26 | 60.0° | 54.8° |
| O6 | C17 | C18 | H24 | 60.0° | 174.8° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 1.9° | 1.2° |
| C4 | C5 | C6 | O3 | 170.9° | 179.4° |
| C4 | C5 | C6 | C7 | 12.2° | 0.8° |
| C5 | C4 | C3 | H4 | 178.1° | 179.3° |
| C5 | C4 | C26 | H36 | 1.6° | 178.8° |
| C3 | C4 | C5 | C6 | 6.3° | 1.2° |
| C4 | C3 | C2 | H4 | 180.0° | 179.4° |
| C4 | C3 | C2 | C7 | 4.8° | 0.8° |
| C4 | C3 | C2 | O1 | 177.7° | 179.7° |
| C3 | C4 | C5 | H5 | 173.7° | 178.9° |
| C3 | C4 | C26 | H36 | 178.2° | 0.3° |
| C5 | C6 | O3 | C7 | 160.9° | 179.8° |
| C5 | C6 | O3 | C9 | 39.4° | 104.1° |
| C5 | C6 | C7 | C2 | 9.3° | 0.3° |
| C5 | C6 | C7 | O2 | 174.2° | 179.7° |
| C3 | C2 | C7 | C6 | 0.7° | 0.3° |
| C3 | C2 | C7 | O1 | 177.8° | 179.6° |
| C3 | C2 | C7 | O2 | 177.1° | 179.7° |
| C3 | C2 | O1 | C1 | 10.4° | 0.0° |
| C15 | C17 | C18 | H23 | 122.6° | 117.2° |
| C17 | C15 | C14 | C13 | 110.7° | 170.9° |
| C17 | C15 | C14 | C16 | 121.2° | 120.5° |
| C17 | C15 | C14 | H19 | 128.9° | 121.1° |
| C17 | C15 | C16 | H19 | 124.4° | 118.7° |
| C17 | C15 | C14 | H18 | 69.3° | 9.7° |
| C17 | C15 | C16 | H21 | 180.0° | 62.7° |
| C17 | C15 | C16 | H22 | 60.0° | 57.3° |
| C17 | C15 | C16 | H20 | 60.0° | 177.3° |
| C15 | C17 | C18 | H25 | 63.4° | 60.0° |
| C15 | C17 | C18 | H26 | 56.6° | 180.0° |
| C15 | C17 | C18 | H24 | 176.6° | 60.0° |
| C18 | C17 | C15 | C14 | 55.5° | 94.3° |
| C18 | C17 | C15 | C16 | 51.2° | 26.3° |
| C18 | C17 | C15 | H19 | 175.3° | 144.7° |
| C17 | C18 | H25 | H26 | 120.0° | 120.0° |
| C17 | C18 | H25 | H24 | 120.0° | 120.0° |
| C17 | C18 | H26 | H24 | 120.0° | 120.0° |
| C14 | C13 | C12 | H17 | 180.0° | 179.7° |
| C13 | C14 | C15 | H18 | 180.0° | 179.4° |
| C13 | C14 | C15 | C16 | 128.1° | 68.6° |
| C14 | C13 | C12 | O5 | 100.0° | 110.0° |
| C14 | C13 | C12 | H16 | 20.2° | 10.3° |
| C14 | C13 | C12 | H15 | 139.8° | 130.4° |
| C13 | C14 | C15 | H19 | 18.2° | 49.8° |
| C12 | C13 | C14 | C15 | 165.0° | 178.9° |
| C13 | C12 | O5 | H16 | 120.2° | 120.4° |
| C13 | C12 | O5 | H15 | 120.2° | 119.5° |
| C13 | C12 | O5 | C10 | 135.5° | 157.9° |
| C12 | C13 | C14 | H18 | 15.0° | 0.5° |
| C13 | C12 | H16 | H15 | 119.3° | 120.0° |
| C14 | C15 | C16 | H19 | 111.2° | 118.6° |
| C15 | C14 | C13 | H17 | 15.0° | 1.3° |
| C14 | C15 | C16 | H21 | 55.6° | 60.0° |
| C14 | C15 | C16 | H22 | 64.4° | 180.0° |
| C14 | C15 | C16 | H20 | 175.7° | 60.0° |
| C14 | C15 | C17 | H23 | 178.0° | 148.7° |
| C16 | C15 | C14 | H18 | 51.9° | 110.8° |
| C15 | C16 | H21 | H22 | 120.0° | 120.0° |
| C15 | C16 | H21 | H20 | 120.0° | 120.0° |
| C15 | C16 | H22 | H20 | 120.0° | 120.0° |
| C16 | C15 | C17 | H23 | 71.3° | 90.7° |
| C12 | O5 | C10 | C9 | 173.6° | 145.7° |
| C12 | O5 | C10 | C11 | 64.0° | 94.2° |
| C12 | O5 | C10 | H11 | 61.2° | 25.9° |
| O5 | C12 | H16 | H15 | 119.3° | 120.1° |
| O5 | C12 | C13 | H17 | 80.0° | 69.7° |
| O5 | C10 | C9 | O3 | 106.4° | 122.9° |
| O5 | C10 | C9 | C11 | 126.6° | 120.1° |
| O5 | C10 | C9 | H11 | 113.3° | 119.8° |
| O5 | C10 | C11 | H11 | 125.5° | 120.0° |
| O5 | C10 | C11 | O4 | 139.8° | 65.0° |
| O5 | C10 | C11 | H12 | 100.4° | 55.0° |
| O5 | C10 | C11 | H13 | 20.1° | 174.9° |
| O5 | C10 | C9 | H9 | 11.4° | 117.1° |
| O5 | C10 | C9 | H10 | 135.7° | 2.5° |
| C10 | O5 | C12 | H16 | 15.2° | 37.5° |
| C10 | O5 | C12 | H15 | 104.3° | 82.6° |
| C6 | O3 | C9 | C10 | 96.9° | 139.5° |
| O3 | C6 | C7 | C2 | 170.6° | 179.9° |
| O3 | C6 | C7 | O2 | 12.9° | 0.5° |
| O3 | C6 | C5 | H5 | 9.1° | 0.4° |
| C6 | O3 | C9 | H9 | 21.0° | 100.6° |
| C6 | O3 | C9 | H10 | 145.3° | 19.2° |
| C7 | C6 | O3 | C9 | 159.7° | 75.7° |
| C6 | C7 | C2 | O2 | 176.4° | 179.4° |
| C6 | C7 | C2 | O1 | 177.1° | 179.9° |
| C6 | C7 | O2 | C8 | 101.3° | 90.0° |
| C7 | C6 | C5 | H5 | 167.8° | 179.4° |
| O3 | C9 | C10 | H9 | 117.9° | 120.0° |
| O3 | C9 | C10 | H10 | 117.9° | 120.4° |
| O3 | C9 | C10 | C11 | 126.9° | 117.0° |
| O3 | C9 | H9 | H10 | 125.9° | 120.0° |
| O3 | C9 | C10 | H11 | 6.8° | 3.1° |
| C9 | C10 | C11 | H11 | 119.9° | 120.0° |
| C9 | C10 | C11 | O4 | 25.2° | 175.0° |
| C9 | C10 | C11 | H12 | 145.0° | 65.0° |
| C9 | C10 | C11 | H13 | 94.6° | 55.0° |
| C10 | C9 | H9 | H10 | 125.9° | 119.8° |
| C7 | C2 | O1 | C1 | 167.2° | 179.6° |
| C2 | C7 | O2 | C8 | 75.1° | 90.6° |
| C7 | C2 | C3 | H4 | 175.2° | 179.8° |
| O1 | C2 | C7 | O2 | 0.7° | 0.7° |
| O1 | C2 | C3 | H4 | 2.3° | 0.2° |
| C2 | O1 | C1 | H2 | 180.0° | 60.1° |
| C2 | O1 | C1 | H3 | 60.0° | 60.0° |
| C2 | O1 | C1 | H1 | 60.0° | 180.0° |
| C10 | C11 | O4 | H12 | 119.8° | 119.9° |
| C10 | C11 | O4 | H13 | 119.8° | 120.0° |
| C10 | C11 | H12 | H13 | 120.7° | 119.9° |
| C11 | C10 | C9 | H9 | 115.2° | 3.0° |
| C11 | C10 | C9 | H10 | 9.1° | 122.6° |
| C10 | C11 | O4 | H14 | 180.0° | 180.0° |
| C7 | O2 | C8 | H7 | 180.0° | 60.0° |
| C7 | O2 | C8 | H8 | 60.0° | 180.0° |
| C7 | O2 | C8 | H6 | 60.0° | 60.0° |
| O1 | C1 | H2 | H3 | 120.0° | 120.0° |
| O1 | C1 | H2 | H1 | 120.0° | 120.0° |
| O1 | C1 | H3 | H1 | 120.0° | 120.0° |
| O4 | C11 | H12 | H13 | 120.6° | 120.1° |
| O4 | C11 | C10 | H11 | 94.7° | 55.0° |
| 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 | H17 | 165.0° | 179.3° |
| H18 | C14 | C15 | H19 | 161.8° | 130.8° |
| H12 | C11 | C10 | H11 | 25.1° | 175.0° |
| H12 | C11 | O4 | H14 | 60.2° | 60.0° |
| H13 | C11 | C10 | H11 | 145.5° | 65.1° |
| H13 | C11 | O4 | H14 | 60.2° | 60.0° |
| H7 | C8 | H8 | H6 | 120.0° | 120.0° |
| H9 | C9 | C10 | H11 | 124.7° | 123.1° |
| H10 | C9 | C10 | H11 | 111.1° | 117.3° |
| H16 | C12 | C13 | H17 | 159.8° | 169.9° |
| H15 | C12 | C13 | H17 | 40.2° | 49.9° |
| H2 | C1 | H3 | H1 | 119.9° | 120.0° |
| H19 | C15 | C16 | H21 | 55.6° | 178.6° |
| H19 | C15 | C16 | H22 | 175.6° | 61.4° |
| H19 | C15 | C16 | H20 | 64.5° | 58.6° |
| H19 | C15 | C17 | H23 | 52.8° | 27.7° |
| H21 | C16 | H22 | H20 | 120.0° | 120.0° |
| H23 | C17 | C18 | H25 | 59.2° | 177.2° |
| H23 | C17 | C18 | H26 | 179.1° | 62.8° |
| H23 | C17 | C18 | H24 | 60.8° | 57.2° |
| H25 | C18 | H26 | H24 | 120.0° | 120.0° |
| H27 | C20 | C21 | H29 | 51.8° | 169.6° |
| H27 | C20 | C21 | H28 | 68.0° | 50.0° |
| H29 | C21 | C22 | H30 | 174.6° | 61.7° |
| H29 | C21 | C22 | H31 | 54.9° | 177.5° |
| H28 | C21 | C22 | H30 | 54.9° | 57.7° |
| H28 | C21 | C22 | H31 | 64.8° | 63.1° |
| H30 | C22 | C23 | H32 | 56.3° | 64.5° |
| H30 | C22 | C23 | H33 | 175.0° | 55.6° |
| H31 | C22 | C23 | H32 | 63.4° | 174.8° |
| H31 | C22 | C23 | H33 | 55.4° | 65.1° |
| H32 | C23 | C24 | H34 | 49.8° | 172.5° |
| H32 | C23 | C24 | H35 | 69.2° | 53.9° |
| H33 | C23 | C24 | H34 | 168.6° | 51.9° |
| H33 | C23 | C24 | H35 | 49.5° | 66.7° |
| H36 | C26 | C27 | H37 | 172.6° | 66.4° |
| H37 | C27 | C28 | H39 | 58.6° | 180.0° |
| H37 | C27 | C28 | H38 | 179.0° | 60.0° |
| H37 | C27 | C32 | H47 | 54.6° | 60.0° |
| H37 | C27 | C32 | H46 | 173.6° | 180.0° |
| H39 | C28 | C29 | H40 | 49.5° | 60.0° |
| H39 | C28 | C29 | H41 | 70.0° | 180.0° |
| H38 | C28 | C29 | H40 | 70.9° | 60.0° |
| H38 | C28 | C29 | H41 | 169.6° | 60.0° |
| H40 | C29 | C30 | H42 | 74.1° | 60.0° |
| H40 | C29 | C30 | H43 | 48.6° | 60.0° |
| H41 | C29 | C30 | H42 | 166.4° | 180.0° |
| H41 | C29 | C30 | H43 | 70.9° | 60.0° |
| H42 | C30 | C31 | H44 | 64.3° | 60.0° |
| H42 | C30 | C31 | H45 | 175.8° | 179.9° |
| H43 | C30 | C31 | H44 | 58.4° | 60.0° |
| H43 | C30 | C31 | H45 | 61.4° | 60.0° |
| H44 | C31 | C32 | H47 | 62.0° | 60.1° |
| H44 | C31 | C32 | H46 | 57.0° | 60.0° |
| H45 | C31 | C32 | H47 | 57.8° | 60.0° |
| H45 | C31 | C32 | H46 | 176.8° | 180.0° |
