2S0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.55Å | 1.54Å | |
| C16 | C17 | sing | 1.56Å | 1.55Å | |
| O30 | C30 | doub | 1.21Å | 1.24Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| O20 | C20 | doub | 1.21Å | 1.21Å | |
| C30 | C31 | sing | 1.51Å | 1.52Å | |
| C30 | O17 | sing | 1.34Å | 1.47Å | |
| C17 | O17 | sing | 1.45Å | 1.55Å | |
| C17 | C20 | sing | 1.51Å | 1.55Å | |
| C17 | C13 | sing | 1.53Å | 1.51Å | |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C14 | C13 | sing | 1.55Å | 1.50Å | |
| C14 | C8 | sing | 1.52Å | 1.55Å | |
| C7 | C8 | sing | 1.52Å | 1.52Å | |
| C7 | C6 | sing | 1.53Å | 1.53Å | |
| C13 | C18 | sing | 1.53Å | 1.54Å | |
| C13 | C12 | sing | 1.52Å | 1.55Å | |
| C8 | C9 | sing | 1.51Å | 1.57Å | |
| C6 | C5 | sing | 1.51Å | 1.53Å | |
| C12 | C11 | sing | 1.54Å | 1.44Å | |
| C5 | C4 | doub | 1.35Å | 1.41Å | |
| C5 | C10 | sing | 1.46Å | 1.46Å | |
| C9 | C10 | doub | 1.33Å | 1.47Å | |
| C9 | C11 | sing | 1.51Å | 1.59Å | |
| C4 | C3 | sing | 1.41Å | 1.38Å | |
| C10 | C1 | sing | 1.51Å | 1.49Å | |
| C11 | C32 | sing | 1.51Å | 1.60Å | |
| C33 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C37 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | O3 | doub | 1.22Å | 1.28Å | |
| C3 | C2 | sing | 1.50Å | 1.61Å | |
| C34 | C35 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C37 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.39Å | 1.39Å | Aromatic |
| C35 | N38 | sing | 1.40Å | 1.38Å | |
| C39 | N38 | sing | 1.47Å | 1.37Å | |
| N38 | C40 | sing | 1.47Å | 1.36Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.08Å | 1.08Å | |
| C34 | H26 | sing | 1.08Å | 1.08Å | |
| C36 | H27 | sing | 1.08Å | 1.08Å | |
| C37 | H28 | sing | 1.08Å | 1.08Å | |
| C39 | H29 | sing | 1.09Å | 1.10Å | |
| C39 | H30 | sing | 1.09Å | 1.10Å | |
| C39 | H31 | sing | 1.09Å | 1.10Å | |
| C40 | H32 | sing | 1.09Å | 1.10Å | |
| C40 | H33 | sing | 1.09Å | 1.10Å | |
| C40 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C31 | H36 | sing | 1.09Å | 1.10Å | |
| C31 | H37 | sing | 1.09Å | 1.10Å | |
| C1 | H38 | sing | 1.09Å | 1.10Å | |
| C2 | H39 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C16 | C17 | 107.0° | 106.6° |
| C16 | C15 | C14 | 102.8° | 103.1° |
| C16 | C15 | H14 | 111.1° | 110.7° |
| C16 | C15 | H15 | 111.1° | 110.9° |
| C15 | C16 | H16 | 110.1° | 110.1° |
| C15 | C16 | H17 | 110.1° | 110.1° |
| C16 | C17 | O17 | 107.1° | 110.2° |
| C16 | C17 | C20 | 115.8° | 110.3° |
| C16 | C17 | C13 | 102.7° | 104.8° |
| C17 | C16 | H16 | 110.1° | 110.0° |
| C17 | C16 | H17 | 110.1° | 110.0° |
| O30 | C30 | C31 | 117.7° | 120.0° |
| O30 | C30 | O17 | 119.6° | 120.0° |
| C15 | C14 | C13 | 106.0° | 101.8° |
| C15 | C14 | C8 | 124.4° | 114.3° |
| C15 | C14 | H13 | 101.6° | 111.4° |
| C14 | C15 | H14 | 111.1° | 110.7° |
| C14 | C15 | H15 | 111.1° | 110.6° |
| O20 | C20 | C17 | 122.1° | 120.0° |
| O20 | C20 | C21 | 114.6° | 120.0° |
| C31 | C30 | O17 | 122.7° | 120.0° |
| C30 | C31 | H35 | 109.5° | 109.5° |
| C30 | C31 | H36 | 109.5° | 109.5° |
| C30 | C31 | H37 | 109.5° | 109.5° |
| C30 | O17 | C17 | 133.2° | 117.0° |
| O17 | C17 | C20 | 93.6° | 110.2° |
| O17 | C17 | C13 | 114.6° | 110.6° |
| C20 | C17 | C13 | 122.5° | 110.7° |
| C17 | C20 | C21 | 123.4° | 120.0° |
| C17 | C13 | C14 | 101.6° | 103.9° |
| C17 | C13 | C18 | 109.7° | 109.9° |
| C17 | C13 | C12 | 114.4° | 115.7° |
| C20 | C21 | H21 | 109.5° | 109.5° |
| C20 | C21 | H22 | 109.5° | 109.5° |
| C20 | C21 | H23 | 109.5° | 109.5° |
| C13 | C14 | C8 | 117.7° | 107.2° |
| C14 | C13 | C18 | 114.0° | 110.0° |
| C14 | C13 | C12 | 109.5° | 107.2° |
| C13 | C14 | H13 | 101.8° | 110.7° |
| C14 | C8 | C7 | 119.8° | 109.6° |
| C14 | C8 | C9 | 114.3° | 107.6° |
| C14 | C8 | H8 | 99.5° | 108.2° |
| C8 | C14 | H13 | 101.4° | 110.9° |
| C8 | C7 | C6 | 115.4° | 111.6° |
| C7 | C8 | C9 | 117.8° | 113.4° |
| C8 | C7 | H6 | 108.0° | 109.1° |
| C8 | C7 | H7 | 108.0° | 109.1° |
| C7 | C8 | H8 | 99.7° | 108.9° |
| C7 | C6 | C5 | 112.7° | 107.7° |
| C7 | C6 | H4 | 108.7° | 109.8° |
| C7 | C6 | H5 | 108.7° | 109.9° |
| C6 | C7 | H6 | 108.0° | 109.0° |
| C6 | C7 | H7 | 108.0° | 109.1° |
| C18 | C13 | C12 | 107.7° | 109.9° |
| C13 | C18 | H18 | 109.5° | 109.5° |
| C13 | C18 | H19 | 109.5° | 109.5° |
| C13 | C18 | H20 | 109.5° | 109.5° |
| C13 | C12 | C11 | 122.3° | 107.2° |
| C13 | C12 | H11 | 106.2° | 109.9° |
| C13 | C12 | H12 | 106.2° | 109.9° |
| C8 | C9 | C10 | 118.1° | 122.3° |
| C8 | C9 | C11 | 118.6° | 120.2° |
| C9 | C8 | H8 | 99.4° | 108.9° |
| C6 | C5 | C4 | 115.3° | 121.7° |
| C6 | C5 | C10 | 122.1° | 117.9° |
| C5 | C6 | H4 | 108.7° | 109.8° |
| C5 | C6 | H5 | 108.7° | 109.8° |
| C12 | C11 | C9 | 115.3° | 110.9° |
| C12 | C11 | C32 | 106.0° | 109.2° |
| C12 | C11 | H10 | 110.0° | 109.1° |
| C11 | C12 | H11 | 106.2° | 109.9° |
| C11 | C12 | H12 | 106.2° | 110.0° |
| C4 | C5 | C10 | 122.5° | 120.4° |
| C5 | C4 | C3 | 123.6° | 120.5° |
| C5 | C4 | H3 | 118.2° | 119.7° |
| C5 | C10 | C9 | 120.3° | 121.2° |
| C5 | C10 | C1 | 118.3° | 118.2° |
| C10 | C9 | C11 | 123.3° | 117.6° |
| C9 | C10 | C1 | 121.5° | 120.6° |
| C9 | C11 | C32 | 109.4° | 109.3° |
| C9 | C11 | H10 | 108.0° | 109.2° |
| C4 | C3 | O3 | 123.0° | 119.3° |
| C4 | C3 | C2 | 118.3° | 121.3° |
| C3 | C4 | H3 | 118.2° | 119.8° |
| C10 | C1 | C2 | 118.5° | 108.7° |
| C10 | C1 | H1 | 107.2° | 109.6° |
| C10 | C1 | H38 | 107.2° | 109.7° |
| C11 | C32 | C33 | 120.8° | 119.9° |
| C11 | C32 | C37 | 120.6° | 120.0° |
| C32 | C11 | H10 | 107.9° | 109.1° |
| C32 | C33 | C34 | 120.9° | 120.1° |
| C33 | C32 | C37 | 118.5° | 120.1° |
| C32 | C33 | H25 | 119.5° | 120.0° |
| C33 | C34 | C35 | 119.9° | 119.9° |
| C34 | C33 | H25 | 119.6° | 120.0° |
| C33 | C34 | H26 | 120.1° | 120.1° |
| C32 | C37 | C36 | 121.1° | 120.1° |
| C32 | C37 | H28 | 119.4° | 119.9° |
| O3 | C3 | C2 | 118.6° | 119.4° |
| C3 | C2 | C1 | 116.5° | 110.0° |
| C3 | C2 | H2 | 107.7° | 109.3° |
| C3 | C2 | H39 | 107.7° | 109.3° |
| C34 | C35 | C36 | 120.0° | 119.8° |
| C34 | C35 | N38 | 119.9° | 120.1° |
| C35 | C34 | H26 | 120.0° | 120.0° |
| C2 | C1 | H1 | 107.2° | 109.6° |
| C1 | C2 | H2 | 107.7° | 109.3° |
| C2 | C1 | H38 | 107.2° | 109.7° |
| C1 | C2 | H39 | 107.7° | 109.4° |
| C37 | C36 | C35 | 119.6° | 119.9° |
| C37 | C36 | H27 | 120.2° | 120.0° |
| C36 | C37 | H28 | 119.5° | 120.0° |
| C36 | C35 | N38 | 120.1° | 120.1° |
| C35 | C36 | H27 | 120.2° | 120.0° |
| C35 | N38 | C39 | 122.9° | 120.0° |
| C35 | N38 | C40 | 122.2° | 120.0° |
| C39 | N38 | C40 | 114.9° | 120.0° |
| N38 | C39 | H29 | 109.5° | 109.5° |
| N38 | C39 | H30 | 109.5° | 109.5° |
| N38 | C39 | H31 | 109.5° | 109.4° |
| N38 | C40 | H32 | 109.5° | 109.5° |
| N38 | C40 | H33 | 109.5° | 109.5° |
| N38 | C40 | H34 | 109.5° | 109.5° |
| H1 | C1 | H38 | 109.5° | 109.6° |
| H2 | C2 | H39 | 109.5° | 109.5° |
| H4 | C6 | H5 | 109.5° | 109.8° |
| H6 | C7 | H7 | 109.5° | 108.9° |
| H11 | C12 | H12 | 109.5° | 109.9° |
| H14 | C15 | H15 | 109.5° | 110.6° |
| H16 | C16 | H17 | 109.5° | 110.1° |
| H18 | C18 | H19 | 109.5° | 109.4° |
| H18 | C18 | H20 | 109.4° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.5° |
| H21 | C21 | H22 | 109.4° | 109.5° |
| H21 | C21 | H23 | 109.5° | 109.5° |
| H22 | C21 | H23 | 109.4° | 109.5° |
| H29 | C39 | H30 | 109.5° | 109.5° |
| H29 | C39 | H31 | 109.5° | 109.5° |
| H30 | C39 | H31 | 109.4° | 109.4° |
| H32 | C40 | H33 | 109.5° | 109.4° |
| H32 | C40 | H34 | 109.5° | 109.5° |
| H33 | C40 | H34 | 109.5° | 109.4° |
| H35 | C31 | H36 | 109.5° | 109.5° |
| H35 | C31 | H37 | 109.4° | 109.4° |
| H36 | C31 | H37 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C16 | C17 | H16 | 119.6° | 119.3° |
| C15 | C16 | C17 | H17 | 119.6° | 119.3° |
| C16 | C15 | C14 | H14 | 118.9° | 118.4° |
| C16 | C15 | C14 | H15 | 118.9° | 118.6° |
| C15 | C16 | C17 | O17 | 97.2° | 115.9° |
| C15 | C16 | C17 | C20 | 159.9° | 122.2° |
| C15 | C16 | C17 | C13 | 23.8° | 3.0° |
| C16 | C15 | C14 | C13 | 28.8° | 41.2° |
| C16 | C15 | C14 | C8 | 170.2° | 156.4° |
| C16 | C15 | C14 | H13 | 77.2° | 76.8° |
| C16 | C15 | H14 | H15 | 123.1° | 123.3° |
| C15 | C16 | H16 | H17 | 121.1° | 121.5° |
| C17 | C16 | C15 | C14 | 2.6° | 23.9° |
| C16 | C17 | C20 | O20 | 14.1° | 24.4° |
| C16 | C17 | O17 | C30 | 68.4° | 62.1° |
| C16 | C17 | O17 | C20 | 118.4° | 121.9° |
| C16 | C17 | O17 | C13 | 113.2° | 115.4° |
| C16 | C17 | C20 | C13 | 126.7° | 115.5° |
| C16 | C17 | C20 | C21 | 165.8° | 155.7° |
| C16 | C17 | C13 | C14 | 41.0° | 28.7° |
| C16 | C17 | C13 | C18 | 80.0° | 89.0° |
| C16 | C17 | C13 | C12 | 158.9° | 145.9° |
| C17 | C16 | C15 | H14 | 121.5° | 94.5° |
| C17 | C16 | C15 | H15 | 116.3° | 142.3° |
| C17 | C16 | H16 | H17 | 121.1° | 121.4° |
| O30 | C30 | C31 | O17 | 177.3° | 180.0° |
| O30 | C30 | O17 | C17 | 7.0° | 3.0° |
| O30 | C30 | C31 | H35 | 0.0° | 180.0° |
| O30 | C30 | C31 | H36 | 120.0° | 60.0° |
| O30 | C30 | C31 | H37 | 120.0° | 60.0° |
| C15 | C14 | C13 | C17 | 44.4° | 43.9° |
| C15 | C14 | C13 | C8 | 144.5° | 120.4° |
| C15 | C14 | C13 | H13 | 105.9° | 118.5° |
| C15 | C14 | C8 | H13 | 112.7° | 127.0° |
| C15 | C14 | C8 | C7 | 36.2° | 66.6° |
| C15 | C14 | C13 | C18 | 73.5° | 73.7° |
| C15 | C14 | C13 | C12 | 165.9° | 166.9° |
| C15 | C14 | C8 | C9 | 175.8° | 169.6° |
| C15 | C14 | C8 | H8 | 70.8° | 52.1° |
| C14 | C15 | H14 | H15 | 123.1° | 123.0° |
| C14 | C15 | C16 | H16 | 122.2° | 143.1° |
| C14 | C15 | C16 | H17 | 117.0° | 95.4° |
| O20 | C20 | C17 | O17 | 125.1° | 146.3° |
| O20 | C20 | C17 | C21 | 179.9° | 180.0° |
| O20 | C20 | C17 | C13 | 112.6° | 91.1° |
| O20 | C20 | C21 | H21 | 0.0° | 175.0° |
| O20 | C20 | C21 | H22 | 120.0° | 55.0° |
| O20 | C20 | C21 | H23 | 120.0° | 65.0° |
| C31 | C30 | O17 | C17 | 170.2° | 177.0° |
| C30 | C31 | H35 | H36 | 120.0° | 120.0° |
| C30 | C31 | H35 | H37 | 120.0° | 120.0° |
| C30 | C31 | H36 | H37 | 120.0° | 120.0° |
| C30 | O17 | C17 | C20 | 50.0° | 59.8° |
| C30 | O17 | C17 | C13 | 178.3° | 177.5° |
| O17 | C30 | C31 | H35 | 177.3° | 0.0° |
| O17 | C30 | C31 | H36 | 57.3° | 120.0° |
| O17 | C30 | C31 | H37 | 62.7° | 120.0° |
| O17 | C17 | C20 | C13 | 122.3° | 122.6° |
| O17 | C17 | C20 | C21 | 54.8° | 33.8° |
| O17 | C17 | C13 | C14 | 74.8° | 90.1° |
| O17 | C17 | C13 | C18 | 164.2° | 152.3° |
| O17 | C17 | C13 | C12 | 43.1° | 27.2° |
| O17 | C17 | C16 | H16 | 143.2° | 124.8° |
| O17 | C17 | C16 | H17 | 22.4° | 3.4° |
| C20 | C17 | C13 | C14 | 173.3° | 147.5° |
| C20 | C17 | C13 | C18 | 52.3° | 29.9° |
| C20 | C17 | C13 | C12 | 68.9° | 95.2° |
| C20 | C17 | C16 | H16 | 40.3° | 3.0° |
| C20 | C17 | C16 | H17 | 80.4° | 118.5° |
| C17 | C20 | C21 | H21 | 179.9° | 5.0° |
| C17 | C20 | C21 | H22 | 59.9° | 125.0° |
| C17 | C20 | C21 | H23 | 60.1° | 115.0° |
| C13 | C17 | C20 | C21 | 67.5° | 88.9° |
| C17 | C13 | C14 | C18 | 118.0° | 117.6° |
| C17 | C13 | C14 | C12 | 121.4° | 123.0° |
| C17 | C13 | C14 | C8 | 171.1° | 164.3° |
| C17 | C13 | C18 | C12 | 125.1° | 128.4° |
| C17 | C13 | C12 | C11 | 160.8° | 176.7° |
| C17 | C13 | C12 | H11 | 77.4° | 63.9° |
| C17 | C13 | C12 | H12 | 39.0° | 57.2° |
| C17 | C13 | C14 | H13 | 61.4° | 74.6° |
| C13 | C17 | C16 | H16 | 95.8° | 116.2° |
| C13 | C17 | C16 | H17 | 143.4° | 122.3° |
| C17 | C13 | C18 | H18 | 180.0° | 162.0° |
| C17 | C13 | C18 | H19 | 60.0° | 42.1° |
| C17 | C13 | C18 | H20 | 60.0° | 77.9° |
| C20 | C21 | H21 | H22 | 120.0° | 120.0° |
| C20 | C21 | H21 | H23 | 120.0° | 120.0° |
| C20 | C21 | H22 | H23 | 120.0° | 120.0° |
| C13 | C14 | C8 | H13 | 109.9° | 120.9° |
| C13 | C14 | C8 | C7 | 173.6° | 178.6° |
| C14 | C13 | C18 | C12 | 121.7° | 117.8° |
| C13 | C14 | C8 | C9 | 38.4° | 57.6° |
| C14 | C13 | C12 | C11 | 47.5° | 67.9° |
| C13 | C14 | C8 | H8 | 66.5° | 60.0° |
| C14 | C13 | C12 | H11 | 169.3° | 51.5° |
| C14 | C13 | C12 | H12 | 74.3° | 172.6° |
| C13 | C14 | C15 | H14 | 147.7° | 77.3° |
| C13 | C14 | C15 | H15 | 90.1° | 159.8° |
| C14 | C13 | C18 | H18 | 66.8° | 48.2° |
| C14 | C13 | C18 | H19 | 53.2° | 71.8° |
| C14 | C13 | C18 | H20 | 173.2° | 168.2° |
| C14 | C8 | C7 | C9 | 146.9° | 120.3° |
| C14 | C8 | C7 | H8 | 107.0° | 118.2° |
| C14 | C8 | C7 | C6 | 178.0° | 164.7° |
| C8 | C14 | C13 | C18 | 70.9° | 46.7° |
| C8 | C14 | C13 | C12 | 49.7° | 72.7° |
| C14 | C8 | C9 | H8 | 105.0° | 117.1° |
| C14 | C8 | C9 | C10 | 161.2° | 135.5° |
| C14 | C8 | C9 | C11 | 19.5° | 46.1° |
| C14 | C8 | C7 | H6 | 61.1° | 74.8° |
| C14 | C8 | C7 | H7 | 57.2° | 44.1° |
| C8 | C14 | C15 | H14 | 70.8° | 38.0° |
| C8 | C14 | C15 | H15 | 51.3° | 85.0° |
| C8 | C7 | C6 | H6 | 120.9° | 120.6° |
| C8 | C7 | C6 | H7 | 120.9° | 120.6° |
| C7 | C8 | C9 | H8 | 106.3° | 121.5° |
| C8 | C7 | C6 | C5 | 43.1° | 57.7° |
| C7 | C8 | C9 | C10 | 12.6° | 14.1° |
| C7 | C8 | C9 | C11 | 168.2° | 167.5° |
| C8 | C7 | C6 | H4 | 163.6° | 61.8° |
| C8 | C7 | C6 | H5 | 77.4° | 177.3° |
| C8 | C7 | H6 | H7 | 117.3° | 119.0° |
| C7 | C8 | C14 | H13 | 76.5° | 60.4° |
| C6 | C7 | C8 | C9 | 35.1° | 44.4° |
| C7 | C6 | C5 | H4 | 120.5° | 119.5° |
| C7 | C6 | C5 | H5 | 120.5° | 119.6° |
| C7 | C6 | C5 | C4 | 144.2° | 136.6° |
| C7 | C6 | C5 | C10 | 31.5° | 43.7° |
| C7 | C6 | H4 | H5 | 118.5° | 120.9° |
| C6 | C7 | H6 | H7 | 117.3° | 118.9° |
| C6 | C7 | C8 | H8 | 71.1° | 77.1° |
| C18 | C13 | C12 | C11 | 76.9° | 51.5° |
| C18 | C13 | C12 | H11 | 44.9° | 171.0° |
| C18 | C13 | C12 | H12 | 161.3° | 68.0° |
| C18 | C13 | C14 | H13 | 179.4° | 167.8° |
| C13 | C18 | H18 | H19 | 120.0° | 119.9° |
| C13 | C18 | H18 | H20 | 120.0° | 120.1° |
| C13 | C18 | H19 | H20 | 120.0° | 120.0° |
| C13 | C12 | C11 | H11 | 121.8° | 119.4° |
| C13 | C12 | C11 | H12 | 121.8° | 119.5° |
| C13 | C12 | C11 | C9 | 30.9° | 51.5° |
| C13 | C12 | C11 | C32 | 90.3° | 68.9° |
| C13 | C12 | C11 | H10 | 153.4° | 171.9° |
| C13 | C12 | H11 | H12 | 114.2° | 121.1° |
| C12 | C13 | C14 | H13 | 60.0° | 48.4° |
| C12 | C13 | C18 | H18 | 54.8° | 69.6° |
| C12 | C13 | C18 | H19 | 174.8° | 170.5° |
| C12 | C13 | C18 | H20 | 65.1° | 50.4° |
| C8 | C9 | C11 | C12 | 16.0° | 43.3° |
| C8 | C9 | C10 | C5 | 0.4° | 1.3° |
| C8 | C9 | C10 | C11 | 179.2° | 178.5° |
| C8 | C9 | C10 | C1 | 180.0° | 180.0° |
| C8 | C9 | C11 | C32 | 103.3° | 77.1° |
| C9 | C8 | C7 | H6 | 85.8° | 164.9° |
| C9 | C8 | C7 | H7 | 155.9° | 76.2° |
| C8 | C9 | C11 | H10 | 139.5° | 163.6° |
| C9 | C8 | C14 | H13 | 71.5° | 63.3° |
| C6 | C5 | C4 | C10 | 175.7° | 179.8° |
| C6 | C5 | C10 | C9 | 9.8° | 14.9° |
| C6 | C5 | C4 | C3 | 179.8° | 176.6° |
| C6 | C5 | C10 | C1 | 169.8° | 163.8° |
| C6 | C5 | C4 | H3 | 0.2° | 3.5° |
| C5 | C6 | H4 | H5 | 118.5° | 120.9° |
| C5 | C6 | C7 | H6 | 77.7° | 178.3° |
| C5 | C6 | C7 | H7 | 164.0° | 62.9° |
| C12 | C11 | C9 | C10 | 164.8° | 138.2° |
| C12 | C11 | C9 | C32 | 119.3° | 120.4° |
| C12 | C11 | C9 | H10 | 123.5° | 120.3° |
| C12 | C11 | C32 | H10 | 117.8° | 119.2° |
| C12 | C11 | C32 | C33 | 118.0° | 137.2° |
| C12 | C11 | C32 | C37 | 57.8° | 42.5° |
| C11 | C12 | H11 | H12 | 114.2° | 121.1° |
| C4 | C5 | C10 | C9 | 165.6° | 165.3° |
| C5 | C4 | C3 | H3 | 180.0° | 179.9° |
| C4 | C5 | C10 | C1 | 14.8° | 16.0° |
| C5 | C4 | C3 | O3 | 179.3° | 172.2° |
| C5 | C4 | C3 | C2 | 2.3° | 7.8° |
| C4 | C5 | C6 | H4 | 23.7° | 103.9° |
| C4 | C5 | C6 | H5 | 95.3° | 16.9° |
| C5 | C10 | C9 | C1 | 179.5° | 178.7° |
| C5 | C10 | C9 | C11 | 178.8° | 177.1° |
| C10 | C5 | C4 | C3 | 4.1° | 3.6° |
| C5 | C10 | C1 | C2 | 18.6° | 43.3° |
| C5 | C10 | C1 | H1 | 102.7° | 163.0° |
| C10 | C5 | C4 | H3 | 175.9° | 176.3° |
| C10 | C5 | C6 | H4 | 152.0° | 75.8° |
| C10 | C5 | C6 | H5 | 89.0° | 163.3° |
| C5 | C10 | C1 | H38 | 139.9° | 76.6° |
| C10 | C9 | C11 | C32 | 75.9° | 101.4° |
| C9 | C10 | C1 | C2 | 161.8° | 138.0° |
| C9 | C10 | C1 | H1 | 76.9° | 18.3° |
| C10 | C9 | C8 | H8 | 93.7° | 107.4° |
| C10 | C9 | C11 | H10 | 41.3° | 17.9° |
| C9 | C10 | C1 | H38 | 40.5° | 102.1° |
| C11 | C9 | C10 | C1 | 0.8° | 1.5° |
| C9 | C11 | C32 | H10 | 117.3° | 119.4° |
| C9 | C11 | C32 | C33 | 7.0° | 15.8° |
| C9 | C11 | C32 | C37 | 177.2° | 163.8° |
| C11 | C9 | C8 | H8 | 85.5° | 71.0° |
| C9 | C11 | C12 | H11 | 152.7° | 67.9° |
| C9 | C11 | C12 | H12 | 90.9° | 171.0° |
| C4 | C3 | O3 | C2 | 177.0° | 180.0° |
| C4 | C3 | C2 | C1 | 2.1° | 36.2° |
| C4 | C3 | C2 | H2 | 118.9° | 156.3° |
| C4 | C3 | C2 | H39 | 123.1° | 83.9° |
| C10 | C1 | C2 | C3 | 12.4° | 50.6° |
| C10 | C1 | C2 | H1 | 121.3° | 119.7° |
| C10 | C1 | C2 | H38 | 121.3° | 120.0° |
| C10 | C1 | H1 | H38 | 115.9° | 120.5° |
| C10 | C1 | C2 | H2 | 108.6° | 170.6° |
| C10 | C1 | C2 | H39 | 133.4° | 69.5° |
| C11 | C32 | C33 | C37 | 175.9° | 179.7° |
| C11 | C32 | C33 | C34 | 176.0° | 180.0° |
| C11 | C32 | C37 | C36 | 176.0° | 179.7° |
| C32 | C11 | C12 | H11 | 31.5° | 171.6° |
| C32 | C11 | C12 | H12 | 148.0° | 50.6° |
| C11 | C32 | C33 | H25 | 4.0° | 0.1° |
| C11 | C32 | C37 | H28 | 4.0° | 0.0° |
| C32 | C33 | C34 | H25 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.1° | 0.1° |
| C33 | C32 | C37 | C36 | 0.1° | 0.6° |
| C33 | C32 | C11 | H10 | 124.2° | 103.6° |
| C32 | C33 | C34 | H26 | 179.9° | 180.0° |
| C33 | C32 | C37 | H28 | 179.9° | 179.7° |
| C34 | C33 | C32 | C37 | 0.1° | 0.3° |
| C33 | C34 | C35 | H26 | 180.0° | 179.9° |
| C33 | C34 | C35 | C36 | 0.3° | 0.1° |
| C33 | C34 | C35 | N38 | 178.1° | 180.0° |
| C32 | C37 | C36 | H28 | 180.0° | 179.7° |
| C32 | C37 | C36 | C35 | 0.0° | 0.5° |
| C37 | C32 | C11 | H10 | 60.0° | 76.8° |
| C37 | C32 | C33 | H25 | 179.9° | 179.8° |
| C32 | C37 | C36 | H27 | 179.9° | 179.7° |
| O3 | C3 | C2 | C1 | 175.1° | 143.8° |
| O3 | C3 | C2 | H2 | 63.9° | 23.7° |
| O3 | C3 | C4 | H3 | 0.7° | 7.7° |
| O3 | C3 | C2 | H39 | 54.0° | 96.1° |
| C3 | C2 | C1 | H2 | 121.0° | 120.1° |
| C3 | C2 | C1 | H39 | 121.0° | 120.0° |
| C3 | C2 | C1 | H1 | 108.9° | 170.3° |
| C3 | C2 | H2 | H39 | 116.8° | 119.7° |
| C2 | C3 | C4 | H3 | 177.7° | 172.3° |
| C3 | C2 | C1 | H38 | 133.7° | 69.4° |
| C34 | C35 | C36 | C37 | 0.2° | 0.3° |
| C34 | C35 | C36 | N38 | 178.3° | 179.9° |
| C34 | C35 | N38 | C39 | 9.0° | 180.0° |
| C34 | C35 | N38 | C40 | 170.6° | 0.0° |
| C35 | C34 | C33 | H25 | 179.9° | 180.0° |
| C34 | C35 | C36 | H27 | 179.7° | 180.0° |
| C2 | C1 | H1 | H38 | 115.9° | 120.4° |
| C1 | C2 | H2 | H39 | 116.8° | 119.9° |
| C37 | C36 | C35 | H27 | 180.0° | 179.7° |
| C37 | C36 | C35 | N38 | 178.1° | 179.8° |
| C36 | C35 | N38 | C39 | 172.7° | 0.0° |
| C36 | C35 | N38 | C40 | 7.7° | 180.0° |
| C36 | C35 | C34 | H26 | 179.7° | 180.0° |
| C35 | C36 | C37 | H28 | 180.0° | 179.7° |
| C35 | N38 | C39 | C40 | 179.6° | 180.0° |
| N38 | C35 | C34 | H26 | 1.9° | 0.1° |
| N38 | C35 | C36 | H27 | 1.9° | 0.0° |
| C35 | N38 | C39 | H29 | 180.0° | 90.0° |
| C35 | N38 | C39 | H30 | 60.0° | 149.9° |
| C35 | N38 | C39 | H31 | 60.0° | 30.0° |
| C35 | N38 | C40 | H32 | 180.0° | 90.0° |
| C35 | N38 | C40 | H33 | 60.0° | 150.0° |
| C35 | N38 | C40 | H34 | 60.0° | 30.0° |
| N38 | C39 | H29 | H30 | 120.0° | 120.0° |
| N38 | C39 | H29 | H31 | 120.0° | 119.9° |
| N38 | C39 | H30 | H31 | 120.0° | 119.9° |
| C39 | N38 | C40 | H32 | 0.4° | 90.0° |
| C39 | N38 | C40 | H33 | 120.4° | 30.0° |
| C39 | N38 | C40 | H34 | 119.6° | 150.0° |
| C40 | N38 | C39 | H29 | 0.4° | 90.0° |
| C40 | N38 | C39 | H30 | 119.6° | 30.1° |
| C40 | N38 | C39 | H31 | 120.4° | 150.0° |
| N38 | C40 | H32 | H33 | 120.0° | 120.0° |
| N38 | C40 | H32 | H34 | 120.0° | 120.0° |
| N38 | C40 | H33 | H34 | 120.0° | 120.0° |
| H1 | C1 | C2 | H2 | 130.2° | 69.7° |
| H1 | C1 | C2 | H39 | 12.2° | 50.2° |
| H2 | C2 | C1 | H38 | 12.7° | 50.7° |
| H4 | C6 | C7 | H6 | 42.7° | 58.8° |
| H4 | C6 | C7 | H7 | 75.5° | 177.6° |
| H5 | C6 | C7 | H6 | 161.8° | 62.1° |
| H5 | C6 | C7 | H7 | 43.5° | 56.7° |
| H6 | C7 | C8 | H8 | 168.1° | 43.4° |
| H7 | C7 | C8 | H8 | 49.8° | 162.3° |
| H8 | C8 | C14 | H13 | 176.5° | 179.1° |
| H10 | C11 | C12 | H11 | 84.8° | 52.4° |
| H10 | C11 | C12 | H12 | 31.6° | 68.6° |
| H13 | C14 | C15 | H14 | 41.8° | 164.8° |
| H13 | C14 | C15 | H15 | 163.9° | 41.8° |
| H14 | C15 | C16 | H16 | 118.9° | 24.7° |
| H14 | C15 | C16 | H17 | 1.9° | 146.2° |
| H15 | C15 | C16 | H16 | 3.3° | 98.5° |
| H15 | C15 | C16 | H17 | 124.0° | 23.1° |
| H18 | C18 | H19 | H20 | 120.0° | 120.0° |
| H21 | C21 | H22 | H23 | 120.0° | 120.0° |
| H25 | C33 | C34 | H26 | 0.1° | 0.1° |
| H27 | C36 | C37 | H28 | 0.1° | 0.0° |
| H29 | C39 | H30 | H31 | 120.0° | 120.1° |
| H32 | C40 | H33 | H34 | 120.0° | 120.0° |
| H35 | C31 | H36 | H37 | 120.0° | 119.9° |
| H38 | C1 | C2 | H39 | 105.3° | 170.6° |
