I63
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.53Å | 1.56Å | |
| O41 | C40 | doub | 1.21Å | 1.25Å | |
| C4 | C3 | sing | 1.53Å | 1.54Å | |
| C39 | C40 | sing | 1.51Å | 1.51Å | |
| C39 | O38 | sing | 1.43Å | 1.43Å | |
| C6 | N7 | sing | 1.47Å | 1.51Å | |
| C40 | O42 | sing | 1.34Å | 1.25Å | |
| O4 | C9 | doub | 1.21Å | 1.23Å | |
| C27 | C28 | doub | 1.38Å | 1.41Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| O38 | C26 | sing | 1.36Å | 1.37Å | |
| C13 | C10 | sing | 1.53Å | 1.53Å | |
| C26 | C25 | doub | 1.39Å | 1.39Å | Aromatic |
| N7 | C2 | sing | 1.47Å | 1.48Å | |
| N7 | C8 | sing | 1.35Å | 1.35Å | |
| C9 | C8 | sing | 1.49Å | 1.50Å | |
| C9 | C10 | sing | 1.51Å | 1.53Å | |
| C29 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.51Å | |
| C8 | O3 | doub | 1.21Å | 1.25Å | |
| C10 | C14 | sing | 1.53Å | 1.55Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| C25 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | C15 | sing | 1.51Å | 1.50Å | |
| C1 | O1 | sing | 1.34Å | 1.41Å | |
| C1 | O2 | doub | 1.21Å | 1.20Å | |
| O1 | C15 | sing | 1.45Å | 1.44Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C23 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.41Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | O34 | sing | 1.36Å | 1.38Å | |
| C35 | O34 | sing | 1.43Å | 1.44Å | |
| C20 | O36 | sing | 1.36Å | 1.37Å | |
| O36 | C37 | sing | 1.43Å | 1.45Å | |
| O42 | H1 | sing | 0.97Å | 0.95Å | |
| C39 | H2 | sing | 1.09Å | 1.10Å | |
| C39 | H3 | sing | 1.09Å | 1.10Å | |
| C25 | H4 | sing | 1.08Å | 1.08Å | |
| C27 | H5 | sing | 1.08Å | 1.08Å | |
| C28 | H6 | sing | 1.08Å | 1.08Å | |
| C29 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C22 | H14 | sing | 1.08Å | 1.08Å | |
| C35 | H15 | sing | 1.09Å | 1.10Å | |
| C35 | H16 | sing | 1.09Å | 1.10Å | |
| C35 | H17 | sing | 1.09Å | 1.10Å | |
| C37 | H18 | sing | 1.09Å | 1.10Å | |
| C37 | H19 | sing | 1.09Å | 1.10Å | |
| C37 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C6 | H23 | sing | 1.09Å | 1.10Å | |
| C6 | H24 | sing | 1.09Å | 1.10Å | |
| C5 | H25 | sing | 1.09Å | 1.10Å | |
| C5 | H26 | sing | 1.09Å | 1.10Å | |
| C4 | H27 | sing | 1.09Å | 1.10Å | |
| C4 | H28 | sing | 1.09Å | 1.10Å | |
| C3 | H29 | sing | 1.09Å | 1.10Å | |
| C3 | H30 | sing | 1.09Å | 1.10Å | |
| C13 | H31 | sing | 1.09Å | 1.10Å | |
| C13 | H32 | sing | 1.09Å | 1.10Å | |
| C13 | H33 | sing | 1.09Å | 1.10Å | |
| C14 | H34 | sing | 1.09Å | 1.10Å | |
| C14 | H35 | sing | 1.09Å | 1.10Å | |
| C14 | H36 | sing | 1.09Å | 1.10Å | |
| C11 | H37 | sing | 1.09Å | 1.10Å | |
| C11 | H38 | sing | 1.09Å | 1.10Å | |
| C12 | H39 | sing | 1.09Å | 1.10Å | |
| C12 | H40 | sing | 1.09Å | 1.10Å | |
| C12 | H41 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C5 | C6 | 112.0° | 109.3° |
| C5 | C4 | C3 | 108.7° | 109.6° |
| C4 | C5 | H25 | 108.8° | 109.5° |
| C4 | C5 | H26 | 108.8° | 109.6° |
| C5 | C4 | H27 | 109.7° | 109.5° |
| C5 | C4 | H28 | 109.7° | 109.4° |
| C5 | C6 | N7 | 111.1° | 108.8° |
| C5 | C6 | H23 | 109.1° | 109.6° |
| C5 | C6 | H24 | 109.1° | 109.7° |
| C6 | C5 | H25 | 108.9° | 109.5° |
| C6 | C5 | H26 | 108.9° | 109.4° |
| O41 | C40 | C39 | 116.1° | 120.0° |
| O41 | C40 | O42 | 124.5° | 120.0° |
| C4 | C3 | C2 | 112.3° | 109.3° |
| C3 | C4 | H27 | 109.7° | 109.4° |
| C3 | C4 | H28 | 109.7° | 109.5° |
| C4 | C3 | H29 | 108.8° | 109.5° |
| C4 | C3 | H30 | 108.8° | 109.5° |
| C40 | C39 | O38 | 111.5° | 109.5° |
| C39 | C40 | O42 | 119.4° | 120.0° |
| C40 | C39 | H2 | 109.0° | 109.5° |
| C40 | C39 | H3 | 109.0° | 109.4° |
| C39 | O38 | C26 | 122.6° | 117.0° |
| O38 | C39 | H2 | 109.0° | 109.5° |
| O38 | C39 | H3 | 108.9° | 109.5° |
| C6 | N7 | C2 | 116.4° | 118.7° |
| C6 | N7 | C8 | 124.6° | 120.6° |
| N7 | C6 | H23 | 109.1° | 109.6° |
| N7 | C6 | H24 | 109.1° | 109.6° |
| C40 | O42 | H1 | 109.5° | 117.0° |
| O4 | C9 | C8 | 118.8° | 120.0° |
| O4 | C9 | C10 | 120.7° | 120.0° |
| C28 | C27 | C26 | 120.1° | 119.9° |
| C27 | C28 | C29 | 120.3° | 120.1° |
| C28 | C27 | H5 | 120.0° | 120.0° |
| C27 | C28 | H6 | 119.9° | 119.9° |
| C27 | C26 | O38 | 123.9° | 120.0° |
| C27 | C26 | C25 | 120.4° | 119.9° |
| C26 | C27 | H5 | 120.0° | 120.0° |
| C28 | C29 | C24 | 119.3° | 120.1° |
| C29 | C28 | H6 | 119.8° | 120.0° |
| C28 | C29 | H7 | 120.4° | 119.9° |
| C3 | C2 | N7 | 109.4° | 108.9° |
| C3 | C2 | C1 | 108.8° | 109.6° |
| C3 | C2 | H22 | 107.7° | 109.6° |
| C2 | C3 | H29 | 108.8° | 109.3° |
| C2 | C3 | H30 | 108.8° | 109.7° |
| O38 | C26 | C25 | 115.7° | 120.0° |
| C13 | C10 | C9 | 110.8° | 109.5° |
| C13 | C10 | C14 | 114.5° | 109.4° |
| C13 | C10 | C11 | 106.6° | 109.5° |
| C10 | C13 | H31 | 109.5° | 109.5° |
| C10 | C13 | H32 | 109.4° | 109.5° |
| C10 | C13 | H33 | 109.5° | 109.5° |
| C26 | C25 | C24 | 119.4° | 119.9° |
| C26 | C25 | H4 | 120.3° | 120.0° |
| C2 | N7 | C8 | 119.0° | 120.7° |
| N7 | C2 | C1 | 114.3° | 109.6° |
| N7 | C2 | H22 | 108.4° | 109.6° |
| N7 | C8 | C9 | 121.3° | 120.0° |
| N7 | C8 | O3 | 122.7° | 119.9° |
| C8 | C9 | C10 | 120.1° | 120.0° |
| C9 | C8 | O3 | 116.0° | 120.0° |
| C9 | C10 | C14 | 110.3° | 109.5° |
| C9 | C10 | C11 | 107.8° | 109.5° |
| C29 | C24 | C25 | 120.6° | 120.1° |
| C29 | C24 | C15 | 117.0° | 120.0° |
| C24 | C29 | H7 | 120.3° | 119.9° |
| C2 | C1 | O1 | 116.4° | 120.0° |
| C2 | C1 | O2 | 123.3° | 120.0° |
| C1 | C2 | H22 | 107.9° | 109.6° |
| C14 | C10 | C11 | 106.3° | 109.5° |
| C10 | C14 | H34 | 109.5° | 109.5° |
| C10 | C14 | H35 | 109.5° | 109.5° |
| C10 | C14 | H36 | 109.5° | 109.5° |
| C10 | C11 | C12 | 115.1° | 109.5° |
| C10 | C11 | H37 | 108.0° | 109.5° |
| C10 | C11 | H38 | 108.0° | 109.5° |
| C25 | C24 | C15 | 122.3° | 119.9° |
| C24 | C25 | H4 | 120.3° | 120.0° |
| C24 | C15 | O1 | 101.1° | 109.4° |
| C24 | C15 | C16 | 114.0° | 109.5° |
| C24 | C15 | H8 | 111.3° | 109.5° |
| O1 | C1 | O2 | 119.9° | 120.0° |
| C1 | O1 | C15 | 118.5° | 117.0° |
| O1 | C15 | C16 | 107.0° | 109.5° |
| O1 | C15 | H8 | 112.1° | 109.5° |
| C12 | C11 | H37 | 108.0° | 109.5° |
| C12 | C11 | H38 | 108.0° | 109.5° |
| C11 | C12 | H39 | 109.5° | 109.4° |
| C11 | C12 | H40 | 109.5° | 109.5° |
| C11 | C12 | H41 | 109.5° | 109.5° |
| C15 | C16 | C17 | 111.2° | 109.5° |
| C16 | C15 | H8 | 110.9° | 109.5° |
| C15 | C16 | H9 | 109.0° | 109.4° |
| C15 | C16 | H10 | 109.1° | 109.5° |
| C16 | C17 | C18 | 113.9° | 109.5° |
| C17 | C16 | H9 | 109.0° | 109.5° |
| C17 | C16 | H10 | 109.0° | 109.5° |
| C16 | C17 | H11 | 108.4° | 109.5° |
| C16 | C17 | H12 | 108.4° | 109.5° |
| C17 | C18 | C23 | 121.4° | 119.9° |
| C17 | C18 | C19 | 120.3° | 119.9° |
| C18 | C17 | H11 | 108.3° | 109.5° |
| C18 | C17 | H12 | 108.4° | 109.4° |
| C18 | C23 | C22 | 122.1° | 120.1° |
| C23 | C18 | C19 | 118.4° | 120.2° |
| C18 | C23 | H13 | 118.9° | 119.9° |
| C23 | C22 | C21 | 119.7° | 120.0° |
| C22 | C23 | H13 | 119.0° | 120.0° |
| C23 | C22 | H14 | 120.2° | 120.0° |
| C18 | C19 | C20 | 119.0° | 120.0° |
| C18 | C19 | H21 | 120.5° | 120.0° |
| C22 | C21 | C20 | 117.5° | 119.9° |
| C22 | C21 | O34 | 126.3° | 120.1° |
| C21 | C22 | H14 | 120.1° | 120.0° |
| C19 | C20 | C21 | 123.3° | 119.9° |
| C19 | C20 | O36 | 121.4° | 120.0° |
| C20 | C19 | H21 | 120.5° | 120.0° |
| C20 | C21 | O34 | 116.1° | 120.1° |
| C21 | C20 | O36 | 115.2° | 120.1° |
| C21 | O34 | C35 | 117.2° | 117.0° |
| O34 | C35 | H15 | 109.5° | 109.5° |
| O34 | C35 | H16 | 109.5° | 109.4° |
| O34 | C35 | H17 | 109.5° | 109.5° |
| C20 | O36 | C37 | 122.9° | 117.1° |
| O36 | C37 | H18 | 109.5° | 109.5° |
| O36 | C37 | H19 | 109.4° | 109.4° |
| O36 | C37 | H20 | 109.5° | 109.5° |
| H2 | C39 | H3 | 109.5° | 109.5° |
| H9 | C16 | H10 | 109.5° | 109.4° |
| H11 | C17 | H12 | 109.5° | 109.4° |
| H15 | C35 | H16 | 109.4° | 109.5° |
| H15 | C35 | H17 | 109.5° | 109.4° |
| H16 | C35 | H17 | 109.5° | 109.5° |
| H18 | C37 | H19 | 109.5° | 109.5° |
| H18 | C37 | H20 | 109.4° | 109.5° |
| H19 | C37 | H20 | 109.5° | 109.5° |
| H23 | C6 | H24 | 109.5° | 109.5° |
| H25 | C5 | H26 | 109.4° | 109.5° |
| H27 | C4 | H28 | 109.5° | 109.5° |
| H29 | C3 | H30 | 109.5° | 109.5° |
| H31 | C13 | H32 | 109.5° | 109.6° |
| H31 | C13 | H33 | 109.5° | 109.5° |
| H32 | C13 | H33 | 109.5° | 109.4° |
| H34 | C14 | H35 | 109.5° | 109.5° |
| H34 | C14 | H36 | 109.5° | 109.4° |
| H35 | C14 | H36 | 109.5° | 109.5° |
| H37 | C11 | H38 | 109.5° | 109.5° |
| H39 | C12 | H40 | 109.5° | 109.4° |
| H39 | C12 | H41 | 109.5° | 109.4° |
| H40 | C12 | H41 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C5 | C6 | H25 | 120.4° | 120.0° |
| C4 | C5 | C6 | H26 | 120.4° | 120.0° |
| C5 | C4 | C3 | H27 | 119.9° | 120.0° |
| C5 | C4 | C3 | H28 | 119.8° | 120.0° |
| C4 | C5 | C6 | N7 | 50.4° | 54.6° |
| C5 | C4 | C3 | C2 | 59.1° | 61.2° |
| C4 | C5 | C6 | H23 | 69.8° | 65.2° |
| C4 | C5 | C6 | H24 | 170.6° | 174.5° |
| C4 | C5 | H25 | H26 | 118.8° | 120.2° |
| C5 | C4 | H27 | H28 | 120.4° | 119.9° |
| C5 | C4 | C3 | H29 | 61.3° | 58.6° |
| C5 | C4 | C3 | H30 | 179.5° | 178.7° |
| C6 | C5 | C4 | C3 | 55.2° | 61.3° |
| C5 | C6 | N7 | H23 | 120.3° | 119.8° |
| C5 | C6 | N7 | H24 | 120.3° | 120.0° |
| C5 | C6 | N7 | C2 | 50.0° | 53.6° |
| C5 | C6 | N7 | C8 | 130.9° | 126.5° |
| C5 | C6 | H23 | H24 | 119.3° | 120.4° |
| C6 | C5 | H25 | H26 | 118.8° | 120.0° |
| C6 | C5 | C4 | H27 | 175.1° | 58.7° |
| C6 | C5 | C4 | H28 | 64.6° | 178.6° |
| O41 | C40 | C39 | O42 | 178.0° | 180.0° |
| O41 | C40 | C39 | O38 | 166.6° | 0.0° |
| O41 | C40 | O42 | H1 | 0.0° | 0.0° |
| O41 | C40 | C39 | H2 | 73.1° | 120.0° |
| O41 | C40 | C39 | H3 | 46.3° | 120.0° |
| C4 | C3 | C2 | H29 | 120.4° | 119.9° |
| C4 | C3 | C2 | H30 | 120.4° | 120.0° |
| C4 | C3 | C2 | N7 | 56.9° | 54.5° |
| C4 | C3 | C2 | C1 | 68.7° | 174.3° |
| C4 | C3 | C2 | H22 | 174.5° | 65.4° |
| C3 | C4 | C5 | H25 | 175.6° | 178.7° |
| C3 | C4 | C5 | H26 | 65.2° | 58.6° |
| C3 | C4 | H27 | H28 | 120.4° | 120.0° |
| C4 | C3 | H29 | H30 | 118.7° | 120.1° |
| C40 | C39 | O38 | H2 | 120.3° | 120.0° |
| C40 | C39 | O38 | H3 | 120.3° | 120.0° |
| C40 | C39 | O38 | C26 | 80.1° | 180.0° |
| C39 | C40 | O42 | H1 | 177.8° | 180.0° |
| C40 | C39 | H2 | H3 | 119.1° | 120.0° |
| O38 | C39 | C40 | O42 | 15.4° | 180.0° |
| C39 | O38 | C26 | C27 | 7.5° | 0.3° |
| C39 | O38 | C26 | C25 | 172.7° | 180.0° |
| O38 | C39 | H2 | H3 | 119.1° | 120.0° |
| C6 | N7 | C2 | C3 | 52.7° | 53.6° |
| C6 | N7 | C2 | C8 | 179.2° | 179.9° |
| C6 | N7 | C8 | C9 | 0.4° | 6.9° |
| C6 | N7 | C2 | C1 | 69.7° | 173.4° |
| C6 | N7 | C8 | O3 | 178.4° | 173.1° |
| C6 | N7 | C2 | H22 | 169.8° | 66.3° |
| N7 | C6 | H23 | H24 | 119.2° | 120.3° |
| N7 | C6 | C5 | H25 | 170.8° | 174.6° |
| N7 | C6 | C5 | H26 | 70.0° | 65.3° |
| O42 | C40 | C39 | H2 | 104.9° | 60.0° |
| O42 | C40 | C39 | H3 | 135.7° | 60.0° |
| O4 | C9 | C10 | C13 | 30.8° | 120.0° |
| O4 | C9 | C8 | N7 | 80.7° | 8.5° |
| O4 | C9 | C8 | C10 | 172.7° | 180.0° |
| O4 | C9 | C8 | O3 | 97.5° | 171.6° |
| O4 | C9 | C10 | C14 | 158.7° | 120.0° |
| O4 | C9 | C10 | C11 | 85.6° | 0.0° |
| C28 | C27 | C26 | H5 | 180.0° | 179.9° |
| C27 | C28 | C29 | H6 | 180.0° | 179.9° |
| C28 | C27 | C26 | O38 | 179.7° | 180.0° |
| C28 | C27 | C26 | C25 | 0.1° | 0.3° |
| C27 | C28 | C29 | C24 | 0.8° | 0.3° |
| C27 | C28 | C29 | H7 | 179.2° | 179.9° |
| C26 | C27 | C28 | C29 | 0.3° | 0.0° |
| C27 | C26 | O38 | C25 | 179.8° | 179.7° |
| C27 | C26 | C25 | C24 | 0.4° | 0.2° |
| C27 | C26 | C25 | H4 | 179.5° | 179.8° |
| C26 | C27 | C28 | H6 | 179.7° | 180.0° |
| C28 | C29 | C24 | H7 | 180.0° | 179.7° |
| C28 | C29 | C24 | C25 | 1.2° | 0.3° |
| C28 | C29 | C24 | C15 | 177.4° | 179.7° |
| C29 | C28 | C27 | H5 | 179.7° | 180.0° |
| C3 | C2 | N7 | C1 | 122.4° | 119.8° |
| C3 | C2 | N7 | H22 | 117.2° | 119.9° |
| C3 | C2 | N7 | C8 | 128.1° | 126.5° |
| C3 | C2 | C1 | H22 | 116.6° | 120.3° |
| C3 | C2 | C1 | O1 | 130.9° | 126.3° |
| C3 | C2 | C1 | O2 | 55.1° | 53.6° |
| C2 | C3 | C4 | H27 | 179.0° | 58.8° |
| C2 | C3 | C4 | H28 | 60.7° | 178.8° |
| C2 | C3 | H29 | H30 | 118.7° | 120.2° |
| O38 | C26 | C25 | C24 | 179.3° | 180.0° |
| C26 | O38 | C39 | H2 | 159.5° | 60.0° |
| C26 | O38 | C39 | H3 | 40.2° | 60.0° |
| O38 | C26 | C25 | H4 | 0.7° | 0.0° |
| O38 | C26 | C27 | H5 | 0.3° | 0.1° |
| C13 | C10 | C9 | C8 | 156.7° | 60.0° |
| C13 | C10 | C9 | C14 | 127.9° | 120.0° |
| C13 | C10 | C9 | C11 | 116.4° | 120.0° |
| C13 | C10 | C14 | C11 | 117.5° | 120.0° |
| C13 | C10 | C11 | C12 | 70.1° | 60.0° |
| C10 | C13 | H31 | H32 | 120.0° | 120.0° |
| C10 | C13 | H31 | H33 | 120.0° | 120.0° |
| C10 | C13 | H32 | H33 | 120.0° | 120.0° |
| C13 | C10 | C14 | H34 | 180.0° | 180.0° |
| C13 | C10 | C14 | H35 | 60.0° | 60.0° |
| C13 | C10 | C14 | H36 | 60.0° | 60.1° |
| C13 | C10 | C11 | H37 | 50.7° | 180.0° |
| C13 | C10 | C11 | H38 | 169.1° | 60.0° |
| C26 | C25 | C24 | C29 | 1.0° | 0.0° |
| C26 | C25 | C24 | H4 | 180.0° | 180.0° |
| C26 | C25 | C24 | C15 | 177.0° | 180.0° |
| C25 | C26 | C27 | H5 | 179.9° | 179.8° |
| C2 | N7 | C8 | C9 | 179.5° | 173.0° |
| N7 | C2 | C1 | H22 | 120.7° | 120.3° |
| C2 | N7 | C8 | O3 | 2.4° | 7.0° |
| N7 | C2 | C1 | O1 | 8.2° | 114.3° |
| N7 | C2 | C1 | O2 | 177.8° | 65.8° |
| C2 | N7 | C6 | H23 | 70.3° | 66.2° |
| C2 | N7 | C6 | H24 | 170.2° | 173.6° |
| N7 | C2 | C3 | H29 | 63.5° | 65.4° |
| N7 | C2 | C3 | H30 | 177.3° | 174.5° |
| N7 | C8 | C9 | O3 | 178.2° | 180.0° |
| N7 | C8 | C9 | C10 | 106.6° | 171.5° |
| C8 | N7 | C2 | C1 | 109.5° | 6.7° |
| C8 | N7 | C2 | H22 | 10.9° | 113.6° |
| C8 | N7 | C6 | H23 | 108.9° | 113.7° |
| C8 | N7 | C6 | H24 | 10.6° | 6.5° |
| C8 | C9 | C10 | C14 | 28.8° | 60.0° |
| C8 | C9 | C10 | C11 | 86.9° | 180.0° |
| C10 | C9 | C8 | O3 | 75.2° | 8.5° |
| C9 | C10 | C14 | C11 | 116.7° | 120.0° |
| C9 | C10 | C11 | C12 | 170.8° | 180.0° |
| C9 | C10 | C13 | H31 | 180.0° | 59.9° |
| C9 | C10 | C13 | H32 | 60.0° | 180.0° |
| C9 | C10 | C13 | H33 | 60.0° | 60.0° |
| C9 | C10 | C14 | H34 | 54.1° | 60.0° |
| C9 | C10 | C14 | H35 | 65.9° | 180.0° |
| C9 | C10 | C14 | H36 | 174.2° | 59.9° |
| C9 | C10 | C11 | H37 | 68.4° | 60.0° |
| C9 | C10 | C11 | H38 | 50.0° | 60.0° |
| C29 | C24 | C25 | C15 | 176.1° | 180.0° |
| C29 | C24 | C15 | O1 | 116.1° | 40.0° |
| C29 | C24 | C15 | C16 | 129.5° | 80.0° |
| C29 | C24 | C25 | H4 | 179.0° | 180.0° |
| C24 | C29 | C28 | H6 | 179.2° | 179.7° |
| C29 | C24 | C15 | H8 | 3.2° | 160.0° |
| C2 | C1 | O1 | O2 | 174.2° | 179.9° |
| C2 | C1 | O1 | C15 | 177.0° | 180.0° |
| C1 | C2 | C3 | H29 | 170.9° | 54.4° |
| C1 | C2 | C3 | H30 | 51.7° | 65.7° |
| C14 | C10 | C11 | C12 | 52.5° | 60.0° |
| C14 | C10 | C13 | H31 | 54.4° | 60.1° |
| C14 | C10 | C13 | H32 | 65.6° | 60.0° |
| C14 | C10 | C13 | H33 | 174.4° | 180.0° |
| C10 | C14 | H34 | H35 | 120.0° | 120.0° |
| C10 | C14 | H34 | H36 | 120.0° | 120.0° |
| C10 | C14 | H35 | H36 | 120.0° | 120.1° |
| C14 | C10 | C11 | H37 | 173.3° | 60.0° |
| C14 | C10 | C11 | H38 | 68.3° | 180.0° |
| C10 | C11 | C12 | H37 | 120.8° | 120.0° |
| C10 | C11 | C12 | H38 | 120.8° | 120.0° |
| C11 | C10 | C13 | H31 | 62.9° | 179.9° |
| C11 | C10 | C13 | H32 | 177.1° | 60.0° |
| C11 | C10 | C13 | H33 | 57.1° | 60.0° |
| C11 | C10 | C14 | H34 | 62.5° | 60.0° |
| C11 | C10 | C14 | H35 | 177.5° | 60.0° |
| C11 | C10 | C14 | H36 | 57.5° | 179.9° |
| C10 | C11 | H37 | H38 | 117.4° | 120.0° |
| C10 | C11 | C12 | H39 | 180.0° | 60.0° |
| C10 | C11 | C12 | H40 | 60.0° | 180.0° |
| C10 | C11 | C12 | H41 | 60.0° | 59.9° |
| C25 | C24 | C15 | O1 | 60.1° | 140.0° |
| C25 | C24 | C15 | C16 | 54.3° | 100.0° |
| C25 | C24 | C29 | H7 | 178.8° | 180.0° |
| C25 | C24 | C15 | H8 | 179.4° | 20.0° |
| C24 | C15 | O1 | C1 | 136.8° | 90.0° |
| C24 | C15 | O1 | C16 | 119.6° | 120.0° |
| C24 | C15 | O1 | H8 | 118.6° | 120.0° |
| C24 | C15 | C16 | H8 | 126.5° | 120.0° |
| C24 | C15 | C16 | C17 | 80.5° | 175.0° |
| C15 | C24 | C25 | H4 | 2.9° | 0.0° |
| C15 | C24 | C29 | H7 | 2.6° | 0.0° |
| C24 | C15 | C16 | H9 | 39.8° | 55.0° |
| C24 | C15 | C16 | H10 | 159.3° | 64.9° |
| C1 | O1 | C15 | C16 | 103.5° | 150.0° |
| C1 | O1 | C15 | H8 | 18.2° | 30.0° |
| O1 | C1 | C2 | H22 | 112.5° | 6.0° |
| O2 | C1 | O1 | C15 | 2.8° | 0.0° |
| O2 | C1 | C2 | H22 | 61.5° | 174.0° |
| O1 | C15 | C16 | H8 | 122.5° | 120.0° |
| O1 | C15 | C16 | C17 | 168.6° | 65.0° |
| O1 | C15 | C16 | H9 | 71.1° | 175.0° |
| O1 | C15 | C16 | H10 | 48.4° | 55.0° |
| C12 | C11 | H37 | H38 | 117.4° | 120.0° |
| C11 | C12 | H39 | H40 | 120.0° | 120.0° |
| C11 | C12 | H39 | H41 | 120.0° | 120.0° |
| C11 | C12 | H40 | H41 | 120.0° | 120.1° |
| C15 | C16 | C17 | H9 | 120.2° | 120.0° |
| C15 | C16 | C17 | H10 | 120.3° | 120.0° |
| C15 | C16 | C17 | C18 | 78.6° | 180.0° |
| C15 | C16 | H9 | H10 | 119.2° | 120.0° |
| C15 | C16 | C17 | H11 | 42.1° | 60.0° |
| C15 | C16 | C17 | H12 | 160.8° | 60.0° |
| C16 | C17 | C18 | H11 | 120.6° | 120.1° |
| C16 | C17 | C18 | H12 | 120.7° | 120.0° |
| C16 | C17 | C18 | C23 | 107.9° | 89.7° |
| C16 | C17 | C18 | C19 | 72.2° | 90.0° |
| C17 | C16 | C15 | H8 | 46.1° | 55.0° |
| C17 | C16 | H9 | H10 | 119.2° | 120.0° |
| C16 | C17 | H11 | H12 | 118.0° | 120.0° |
| C17 | C18 | C23 | C19 | 180.0° | 179.6° |
| C17 | C18 | C23 | C22 | 179.0° | 180.0° |
| C17 | C18 | C19 | C20 | 178.8° | 179.7° |
| C18 | C17 | C16 | H9 | 161.2° | 60.0° |
| C18 | C17 | C16 | H10 | 41.7° | 60.0° |
| C18 | C17 | H11 | H12 | 118.0° | 119.9° |
| C17 | C18 | C23 | H13 | 1.0° | 0.1° |
| C17 | C18 | C19 | H21 | 1.2° | 0.1° |
| C18 | C23 | C22 | H13 | 180.0° | 179.9° |
| C18 | C23 | C22 | C21 | 1.0° | 0.1° |
| C23 | C18 | C19 | C20 | 1.2° | 0.6° |
| C23 | C18 | C17 | H11 | 12.8° | 150.3° |
| C23 | C18 | C17 | H12 | 131.5° | 30.3° |
| C18 | C23 | C22 | H14 | 179.0° | 179.9° |
| C23 | C18 | C19 | H21 | 178.8° | 179.7° |
| C22 | C23 | C18 | C19 | 1.0° | 0.4° |
| C23 | C22 | C21 | H14 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 1.2° | 0.1° |
| C23 | C22 | C21 | O34 | 179.8° | 180.0° |
| C18 | C19 | C20 | H21 | 180.0° | 179.7° |
| C18 | C19 | C20 | C21 | 1.5° | 0.6° |
| C18 | C19 | C20 | O36 | 179.8° | 179.7° |
| C19 | C18 | C17 | H11 | 167.2° | 30.1° |
| C19 | C18 | C17 | H12 | 48.5° | 150.0° |
| C19 | C18 | C23 | H13 | 179.0° | 179.7° |
| C22 | C21 | C20 | C19 | 1.6° | 0.3° |
| C22 | C21 | C20 | O34 | 178.7° | 179.9° |
| C22 | C21 | O34 | C35 | 10.3° | 0.1° |
| C22 | C21 | C20 | O36 | 179.7° | 180.0° |
| C21 | C22 | C23 | H13 | 179.0° | 180.0° |
| C19 | C20 | C21 | O36 | 178.8° | 179.7° |
| C19 | C20 | C21 | O34 | 179.7° | 179.7° |
| C19 | C20 | O36 | C37 | 15.1° | 0.3° |
| C20 | C21 | O34 | C35 | 168.2° | 180.0° |
| C21 | C20 | O36 | C37 | 166.1° | 180.0° |
| C20 | C21 | C22 | H14 | 178.7° | 180.0° |
| C21 | C20 | C19 | H21 | 178.4° | 179.7° |
| O34 | C21 | C20 | O36 | 1.0° | 0.1° |
| O34 | C21 | C22 | H14 | 0.2° | 0.0° |
| C21 | O34 | C35 | H15 | 180.0° | 180.0° |
| C21 | O34 | C35 | H16 | 60.0° | 60.0° |
| C21 | O34 | C35 | H17 | 60.0° | 60.0° |
| O34 | C35 | H15 | H16 | 120.0° | 120.0° |
| O34 | C35 | H15 | H17 | 120.0° | 120.0° |
| O34 | C35 | H16 | H17 | 120.0° | 120.0° |
| C20 | O36 | C37 | H18 | 180.0° | 180.0° |
| C20 | O36 | C37 | H19 | 60.0° | 60.0° |
| C20 | O36 | C37 | H20 | 60.0° | 60.0° |
| O36 | C20 | C19 | H21 | 0.3° | 0.1° |
| O36 | C37 | H18 | H19 | 120.0° | 120.0° |
| O36 | C37 | H18 | H20 | 120.0° | 120.0° |
| O36 | C37 | H19 | H20 | 120.0° | 120.0° |
| H5 | C27 | C28 | H6 | 0.3° | 0.1° |
| H6 | C28 | C29 | H7 | 0.8° | 0.0° |
| H8 | C15 | C16 | H9 | 166.3° | 65.0° |
| H8 | C15 | C16 | H10 | 74.2° | 175.1° |
| H9 | C16 | C17 | H11 | 78.2° | 180.0° |
| H9 | C16 | C17 | H12 | 40.5° | 60.0° |
| H10 | C16 | C17 | H11 | 162.3° | 60.1° |
| H10 | C16 | C17 | H12 | 79.0° | 180.0° |
| H13 | C23 | C22 | H14 | 1.0° | 0.1° |
| H15 | C35 | H16 | H17 | 120.0° | 120.0° |
| H18 | C37 | H19 | H20 | 120.0° | 120.1° |
| H22 | C2 | C3 | H29 | 54.1° | 174.7° |
| H22 | C2 | C3 | H30 | 65.1° | 54.6° |
| H23 | C6 | C5 | H25 | 50.6° | 54.8° |
| H23 | C6 | C5 | H26 | 169.8° | 174.9° |
| H24 | C6 | C5 | H25 | 69.0° | 65.5° |
| H24 | C6 | C5 | H26 | 50.2° | 54.6° |
| H25 | C5 | C4 | H27 | 64.5° | 61.3° |
| H25 | C5 | C4 | H28 | 55.8° | 58.6° |
| H26 | C5 | C4 | H27 | 54.7° | 178.6° |
| H26 | C5 | C4 | H28 | 175.0° | 61.5° |
| H27 | C4 | C3 | H29 | 58.6° | 178.6° |
| H27 | C4 | C3 | H30 | 60.6° | 61.3° |
| H28 | C4 | C3 | H29 | 178.9° | 61.5° |
| H28 | C4 | C3 | H30 | 59.7° | 58.7° |
| H31 | C13 | H32 | H33 | 120.0° | 120.0° |
| H34 | C14 | H35 | H36 | 120.0° | 120.0° |
| H37 | C11 | C12 | H39 | 59.2° | 60.0° |
| H37 | C11 | C12 | H40 | 179.2° | 59.9° |
| H37 | C11 | C12 | H41 | 60.8° | 180.0° |
| H38 | C11 | C12 | H39 | 59.2° | 180.0° |
| H38 | C11 | C12 | H40 | 60.8° | 60.0° |
| H38 | C11 | C12 | H41 | 179.2° | 60.0° |
| H39 | C12 | H40 | H41 | 120.0° | 120.0° |
