TLS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.38Å | 1.37Å | Aromatic |
| C1 | C3 | doub | 1.41Å | 1.38Å | Aromatic |
| C1 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| N2 | C5 | sing | 1.36Å | 1.38Å | Aromatic |
| N2 | C6 | sing | 1.47Å | 1.48Å | |
| C3 | N7 | sing | 1.36Å | 1.37Å | Aromatic |
| C3 | C8 | sing | 1.40Å | 1.38Å | Aromatic |
| C4 | C9 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | N7 | doub | 1.30Å | 1.32Å | Aromatic |
| C5 | C10 | sing | 1.51Å | 1.50Å | |
| C6 | C11 | sing | 1.51Å | 1.49Å | |
| C8 | C12 | doub | 1.36Å | 1.38Å | Aromatic |
| C8 | C13 | sing | 1.51Å | 1.48Å | |
| C9 | C12 | sing | 1.40Å | 1.38Å | Aromatic |
| C9 | C14 | sing | 1.48Å | 1.47Å | Aromatic |
| C10 | C15 | sing | 1.53Å | 1.51Å | |
| C11 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | N18 | sing | 1.37Å | 1.37Å | Aromatic |
| C14 | N19 | doub | 1.31Å | 1.32Å | Aromatic |
| C15 | C20 | sing | 1.53Å | 1.51Å | |
| C16 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C22 | doub | 1.38Å | 1.37Å | Aromatic |
| N18 | C23 | sing | 1.38Å | 1.36Å | Aromatic |
| N18 | C24 | sing | 1.47Å | 1.44Å | |
| N19 | C25 | sing | 1.35Å | 1.38Å | Aromatic |
| C21 | C26 | doub | 1.39Å | 1.38Å | Aromatic |
| C22 | C26 | sing | 1.39Å | 1.38Å | Aromatic |
| C23 | C25 | doub | 1.41Å | 1.37Å | Aromatic |
| C23 | C27 | sing | 1.39Å | 1.38Å | Aromatic |
| C25 | C28 | sing | 1.40Å | 1.38Å | Aromatic |
| C26 | C29 | sing | 1.48Å | 1.46Å | Aromatic |
| C27 | C30 | doub | 1.38Å | 1.37Å | Aromatic |
| C28 | C31 | doub | 1.37Å | 1.38Å | Aromatic |
| C29 | C32 | doub | 1.41Å | 1.38Å | Aromatic |
| C29 | C33 | sing | 1.39Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.37Å | Aromatic |
| C32 | C34 | sing | 1.40Å | 1.38Å | Aromatic |
| C32 | C35 | sing | 1.48Å | 1.46Å | |
| C33 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | C37 | doub | 1.38Å | 1.37Å | Aromatic |
| C35 | O38 | sing | 1.35Å | 1.27Å | |
| C35 | O39 | doub | 1.22Å | 1.27Å | |
| C36 | C37 | sing | 1.38Å | 1.37Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C13 | H13B | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| O38 | HO38 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | C3 | 104.7° | 106.0° |
| N2 | C1 | C4 | 131.0° | 134.0° |
| C1 | N2 | C5 | 107.5° | 107.3° |
| C1 | N2 | C6 | 127.1° | 126.4° |
| C3 | C1 | C4 | 124.3° | 120.0° |
| C1 | C3 | N7 | 111.4° | 106.9° |
| C1 | C3 | C8 | 119.9° | 119.7° |
| C1 | C4 | C9 | 116.1° | 119.6° |
| C1 | C4 | H4 | 121.9° | 120.2° |
| C5 | N2 | C6 | 125.4° | 126.3° |
| N2 | C5 | N7 | 111.0° | 110.1° |
| N2 | C5 | C10 | 121.3° | 125.0° |
| N2 | C6 | C11 | 114.2° | 109.5° |
| N2 | C6 | H6 | 107.9° | 109.4° |
| N2 | C6 | H6A | 107.9° | 109.5° |
| N7 | C3 | C8 | 128.7° | 133.4° |
| C3 | N7 | C5 | 105.3° | 109.7° |
| C3 | C8 | C12 | 115.8° | 120.1° |
| C3 | C8 | C13 | 123.9° | 119.9° |
| C4 | C9 | C12 | 119.4° | 120.1° |
| C4 | C9 | C14 | 118.7° | 120.0° |
| C9 | C4 | H4 | 121.9° | 120.1° |
| N7 | C5 | C10 | 127.7° | 124.9° |
| C5 | C10 | C15 | 120.8° | 109.5° |
| C5 | C10 | H10 | 105.9° | 109.5° |
| C5 | C10 | H10A | 105.9° | 109.4° |
| C6 | C11 | C16 | 120.9° | 119.9° |
| C6 | C11 | C17 | 118.9° | 119.9° |
| C11 | C6 | H6 | 107.9° | 109.5° |
| C11 | C6 | H6A | 107.9° | 109.5° |
| C12 | C8 | C13 | 120.4° | 120.0° |
| C8 | C12 | C9 | 124.5° | 120.5° |
| C8 | C12 | H12 | 117.7° | 119.7° |
| C8 | C13 | H13 | 109.5° | 109.5° |
| C8 | C13 | H13A | 109.4° | 109.5° |
| C8 | C13 | H13B | 109.5° | 109.5° |
| C12 | C9 | C14 | 121.9° | 119.9° |
| C9 | C12 | H12 | 117.7° | 119.7° |
| C9 | C14 | N18 | 123.9° | 125.1° |
| C9 | C14 | N19 | 127.9° | 125.2° |
| C10 | C15 | C20 | 104.2° | 109.5° |
| C15 | C10 | H10 | 105.8° | 109.4° |
| C15 | C10 | H10A | 105.8° | 109.5° |
| C10 | C15 | H15 | 111.2° | 109.4° |
| C10 | C15 | H15A | 111.3° | 109.5° |
| C16 | C11 | C17 | 120.2° | 120.3° |
| C11 | C16 | C21 | 121.0° | 120.1° |
| C11 | C16 | H16 | 119.5° | 119.9° |
| C11 | C17 | C22 | 117.9° | 120.1° |
| C11 | C17 | H17 | 121.1° | 119.9° |
| N18 | C14 | N19 | 108.2° | 109.7° |
| C14 | N18 | C23 | 111.0° | 107.2° |
| C14 | N18 | C24 | 126.2° | 126.4° |
| C14 | N19 | C25 | 106.5° | 109.7° |
| C20 | C15 | H15 | 111.3° | 109.4° |
| C20 | C15 | H15A | 111.3° | 109.5° |
| C15 | C20 | H20 | 109.5° | 109.5° |
| C15 | C20 | H20A | 109.5° | 109.5° |
| C15 | C20 | H20B | 109.5° | 109.4° |
| C16 | C21 | C26 | 119.6° | 119.9° |
| C21 | C16 | H16 | 119.5° | 120.0° |
| C16 | C21 | H21 | 120.2° | 120.0° |
| C17 | C22 | C26 | 123.2° | 119.9° |
| C22 | C17 | H17 | 121.0° | 119.9° |
| C17 | C22 | H22 | 118.4° | 120.0° |
| C23 | N18 | C24 | 122.7° | 126.4° |
| N18 | C23 | C25 | 103.1° | 106.2° |
| N18 | C23 | C27 | 131.0° | 134.0° |
| N18 | C24 | H24 | 109.5° | 109.5° |
| N18 | C24 | H24A | 109.5° | 109.4° |
| N18 | C24 | H24B | 109.5° | 109.4° |
| N19 | C25 | C23 | 111.2° | 107.2° |
| N19 | C25 | C28 | 130.6° | 133.4° |
| C21 | C26 | C22 | 118.0° | 119.7° |
| C21 | C26 | C29 | 124.5° | 120.1° |
| C26 | C21 | H21 | 120.2° | 120.1° |
| C22 | C26 | C29 | 117.2° | 120.1° |
| C26 | C22 | H22 | 118.4° | 120.1° |
| C25 | C23 | C27 | 125.9° | 119.8° |
| C23 | C25 | C28 | 118.3° | 119.4° |
| C23 | C27 | C30 | 114.8° | 119.7° |
| C23 | C27 | H27 | 122.6° | 120.1° |
| C25 | C28 | C31 | 116.8° | 119.9° |
| C25 | C28 | H28 | 121.6° | 120.0° |
| C26 | C29 | C32 | 129.3° | 120.2° |
| C26 | C29 | C33 | 115.3° | 120.2° |
| C27 | C30 | C31 | 120.7° | 120.5° |
| C30 | C27 | H27 | 122.6° | 120.2° |
| C27 | C30 | H30 | 119.6° | 119.7° |
| C28 | C31 | C30 | 123.6° | 120.7° |
| C31 | C28 | H28 | 121.6° | 120.1° |
| C28 | C31 | H31 | 118.2° | 119.7° |
| C32 | C29 | C33 | 115.2° | 119.5° |
| C29 | C32 | C34 | 120.1° | 119.6° |
| C29 | C32 | C35 | 126.6° | 120.2° |
| C29 | C33 | C36 | 124.9° | 120.1° |
| C29 | C33 | H33 | 117.6° | 120.0° |
| C31 | C30 | H30 | 119.6° | 119.8° |
| C30 | C31 | H31 | 118.2° | 119.7° |
| C34 | C32 | C35 | 113.3° | 120.2° |
| C32 | C34 | C37 | 123.7° | 119.9° |
| C32 | C34 | H34 | 118.2° | 120.0° |
| C32 | C35 | O38 | 113.4° | 120.0° |
| C32 | C35 | O39 | 117.8° | 120.0° |
| C33 | C36 | C37 | 118.9° | 120.4° |
| C36 | C33 | H33 | 117.6° | 119.9° |
| C33 | C36 | H36 | 120.5° | 119.8° |
| C34 | C37 | C36 | 117.3° | 120.4° |
| C37 | C34 | H34 | 118.2° | 120.1° |
| C34 | C37 | H37 | 121.3° | 119.8° |
| O38 | C35 | O39 | 128.8° | 120.0° |
| C35 | O38 | HO38 | 109.5° | 117.0° |
| C37 | C36 | H36 | 120.6° | 119.8° |
| C36 | C37 | H37 | 121.3° | 119.8° |
| H6 | C6 | H6A | 111.0° | 109.5° |
| H10 | C10 | H10A | 112.8° | 109.5° |
| H13 | C13 | H13A | 109.5° | 109.5° |
| H13 | C13 | H13B | 109.4° | 109.5° |
| H13A | C13 | H13B | 109.5° | 109.4° |
| H15 | C15 | H15A | 107.6° | 109.5° |
| H20 | C20 | H20A | 109.5° | 109.5° |
| H20 | C20 | H20B | 109.4° | 109.5° |
| H20A | C20 | H20B | 109.5° | 109.4° |
| H24 | C24 | H24A | 109.5° | 109.5° |
| H24 | C24 | H24B | 109.4° | 109.5° |
| H24A | C24 | H24B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | C3 | C4 | 179.2° | 179.7° |
| C1 | N2 | C5 | C6 | 179.2° | 180.0° |
| N2 | C1 | C3 | N7 | 0.1° | 0.0° |
| N2 | C1 | C3 | C8 | 179.6° | 180.0° |
| N2 | C1 | C4 | C9 | 178.8° | 180.0° |
| C1 | N2 | C5 | N7 | 0.5° | 0.0° |
| C1 | N2 | C5 | C10 | 178.9° | 180.0° |
| C1 | N2 | C6 | C11 | 30.5° | 88.2° |
| N2 | C1 | C4 | H4 | 1.2° | 0.0° |
| C1 | N2 | C6 | H6 | 89.5° | 31.9° |
| C1 | N2 | C6 | H6A | 150.5° | 151.8° |
| C3 | C1 | N2 | C5 | 0.2° | 0.0° |
| C3 | C1 | N2 | C6 | 179.4° | 179.9° |
| C1 | C3 | N7 | C8 | 179.7° | 179.9° |
| C3 | C1 | C4 | C9 | 0.2° | 0.3° |
| C1 | C3 | N7 | C5 | 0.4° | 0.0° |
| C1 | C3 | C8 | C12 | 0.5° | 0.0° |
| C1 | C3 | C8 | C13 | 179.8° | 180.0° |
| C3 | C1 | C4 | H4 | 179.8° | 179.7° |
| C4 | C1 | N2 | C5 | 178.9° | 179.7° |
| C4 | C1 | N2 | C6 | 0.3° | 0.3° |
| C4 | C1 | C3 | N7 | 179.3° | 179.8° |
| C4 | C1 | C3 | C8 | 0.4° | 0.3° |
| C1 | C4 | C9 | H4 | 180.0° | 180.0° |
| C1 | C4 | C9 | C12 | 0.7° | 0.1° |
| C1 | C4 | C9 | C14 | 178.8° | 180.0° |
| N2 | C5 | N7 | C3 | 0.5° | 0.0° |
| N2 | C5 | N7 | C10 | 178.3° | 180.0° |
| C5 | N2 | C6 | C11 | 150.4° | 91.8° |
| N2 | C5 | C10 | C15 | 139.7° | 95.6° |
| C5 | N2 | C6 | H6 | 89.6° | 148.2° |
| C5 | N2 | C6 | H6A | 30.5° | 28.2° |
| N2 | C5 | C10 | H10 | 100.3° | 144.4° |
| N2 | C5 | C10 | H10A | 19.7° | 24.4° |
| C6 | N2 | C5 | N7 | 179.7° | 180.0° |
| C6 | N2 | C5 | C10 | 1.9° | 0.0° |
| N2 | C6 | C11 | H6 | 120.0° | 120.0° |
| N2 | C6 | C11 | H6A | 120.0° | 120.0° |
| N2 | C6 | C11 | C16 | 93.1° | 91.3° |
| N2 | C6 | C11 | C17 | 88.1° | 89.0° |
| N2 | C6 | H6 | H6A | 118.1° | 120.0° |
| C3 | N7 | C5 | C10 | 178.8° | 180.0° |
| N7 | C3 | C8 | C12 | 179.2° | 179.9° |
| N7 | C3 | C8 | C13 | 0.6° | 0.1° |
| C8 | C3 | N7 | C5 | 179.3° | 180.0° |
| C3 | C8 | C12 | C13 | 179.8° | 180.0° |
| C3 | C8 | C12 | C9 | 0.1° | 0.2° |
| C3 | C8 | C12 | H12 | 179.9° | 180.0° |
| C3 | C8 | C13 | H13 | 89.9° | 90.0° |
| C3 | C8 | C13 | H13A | 150.1° | 150.0° |
| C3 | C8 | C13 | H13B | 30.1° | 30.1° |
| C4 | C9 | C12 | C8 | 0.7° | 0.2° |
| C4 | C9 | C12 | C14 | 179.5° | 179.9° |
| C4 | C9 | C14 | N18 | 175.8° | 157.0° |
| C4 | C9 | C14 | N19 | 5.4° | 23.2° |
| C4 | C9 | C12 | H12 | 179.3° | 179.9° |
| N7 | C5 | C10 | C15 | 42.1° | 84.4° |
| N7 | C5 | C10 | H10 | 77.8° | 35.6° |
| N7 | C5 | C10 | H10A | 162.1° | 155.6° |
| C5 | C10 | C15 | H10 | 120.0° | 120.0° |
| C5 | C10 | C15 | H10A | 120.0° | 120.0° |
| C5 | C10 | C15 | C20 | 84.6° | 175.0° |
| C5 | C10 | H10 | H10A | 115.4° | 120.0° |
| C5 | C10 | C15 | H15 | 35.4° | 55.0° |
| C5 | C10 | C15 | H15A | 155.4° | 65.0° |
| C6 | C11 | C16 | C17 | 178.7° | 179.7° |
| C6 | C11 | C16 | C21 | 178.6° | 180.0° |
| C6 | C11 | C17 | C22 | 179.6° | 180.0° |
| C11 | C6 | H6 | H6A | 118.1° | 120.0° |
| C6 | C11 | C16 | H16 | 1.5° | 0.1° |
| C6 | C11 | C17 | H17 | 0.4° | 0.0° |
| C8 | C12 | C9 | H12 | 180.0° | 179.7° |
| C8 | C12 | C9 | C14 | 178.8° | 179.7° |
| C12 | C8 | C13 | H13 | 89.9° | 90.0° |
| C12 | C8 | C13 | H13A | 30.1° | 30.0° |
| C12 | C8 | C13 | H13B | 150.1° | 149.9° |
| C13 | C8 | C12 | C9 | 179.7° | 179.8° |
| C13 | C8 | C12 | H12 | 0.3° | 0.0° |
| C8 | C13 | H13 | H13A | 120.0° | 120.0° |
| C8 | C13 | H13 | H13B | 120.0° | 120.0° |
| C8 | C13 | H13A | H13B | 120.0° | 120.0° |
| C12 | C9 | C14 | N18 | 3.7° | 22.9° |
| C12 | C9 | C14 | N19 | 175.1° | 156.9° |
| C12 | C9 | C4 | H4 | 179.3° | 179.9° |
| C9 | C14 | N18 | N19 | 179.0° | 179.8° |
| C9 | C14 | N18 | C23 | 177.7° | 180.0° |
| C9 | C14 | N18 | C24 | 1.8° | 0.0° |
| C9 | C14 | N19 | C25 | 178.1° | 180.0° |
| C14 | C9 | C4 | H4 | 1.2° | 0.0° |
| C14 | C9 | C12 | H12 | 1.2° | 0.0° |
| C10 | C15 | C20 | H15 | 120.0° | 119.9° |
| C10 | C15 | C20 | H15A | 120.0° | 120.1° |
| C15 | C10 | H10 | H10A | 115.3° | 120.0° |
| C10 | C15 | H15 | H15A | 122.2° | 120.0° |
| C10 | C15 | C20 | H20 | 180.0° | 59.9° |
| C10 | C15 | C20 | H20A | 60.0° | 180.0° |
| C10 | C15 | C20 | H20B | 60.0° | 60.0° |
| C11 | C16 | C21 | H16 | 180.0° | 179.9° |
| C16 | C11 | C17 | C22 | 1.6° | 0.3° |
| C11 | C16 | C21 | C26 | 1.8° | 0.0° |
| C16 | C11 | C6 | H6 | 146.9° | 28.7° |
| C16 | C11 | C6 | H6A | 26.8° | 148.7° |
| C16 | C11 | C17 | H17 | 178.3° | 179.7° |
| C11 | C16 | C21 | H21 | 178.2° | 180.0° |
| C17 | C11 | C16 | C21 | 2.7° | 0.3° |
| C11 | C17 | C22 | H17 | 180.0° | 180.0° |
| C11 | C17 | C22 | C26 | 0.2° | 0.0° |
| C17 | C11 | C6 | H6 | 31.9° | 151.0° |
| C17 | C11 | C6 | H6A | 151.9° | 31.0° |
| C17 | C11 | C16 | H16 | 177.3° | 179.8° |
| C11 | C17 | C22 | H22 | 179.8° | 180.0° |
| C14 | N18 | C23 | C24 | 179.6° | 180.0° |
| N18 | C14 | N19 | C25 | 0.8° | 0.3° |
| C14 | N18 | C23 | C25 | 1.1° | 0.1° |
| C14 | N18 | C23 | C27 | 179.3° | 180.0° |
| C14 | N18 | C24 | H24 | 180.0° | 90.9° |
| C14 | N18 | C24 | H24A | 60.0° | 149.0° |
| C14 | N18 | C24 | H24B | 60.0° | 29.1° |
| N19 | C14 | N18 | C23 | 1.2° | 0.2° |
| N19 | C14 | N18 | C24 | 179.2° | 179.8° |
| C14 | N19 | C25 | C23 | 0.1° | 0.2° |
| C14 | N19 | C25 | C28 | 178.8° | 179.9° |
| C20 | C15 | C10 | H10 | 155.4° | 65.0° |
| C20 | C15 | C10 | H10A | 35.4° | 55.0° |
| C20 | C15 | H15 | H15A | 122.1° | 120.0° |
| C15 | C20 | H20 | H20A | 120.0° | 120.1° |
| C15 | C20 | H20 | H20B | 120.0° | 120.0° |
| C15 | C20 | H20A | H20B | 120.0° | 119.9° |
| C16 | C21 | C26 | H21 | 180.0° | 180.0° |
| C16 | C21 | C26 | C22 | 0.0° | 0.2° |
| C16 | C21 | C26 | C29 | 174.4° | 180.0° |
| C17 | C22 | C26 | C21 | 1.0° | 0.2° |
| C17 | C22 | C26 | H22 | 180.0° | 179.9° |
| C17 | C22 | C26 | C29 | 173.8° | 180.0° |
| N18 | C23 | C25 | N19 | 0.6° | 0.1° |
| N18 | C23 | C25 | C27 | 179.6° | 179.9° |
| N18 | C23 | C25 | C28 | 179.6° | 179.8° |
| N18 | C23 | C27 | C30 | 179.6° | 180.0° |
| C23 | N18 | C24 | H24 | 0.5° | 89.0° |
| C23 | N18 | C24 | H24A | 119.6° | 31.0° |
| C23 | N18 | C24 | H24B | 120.4° | 150.9° |
| N18 | C23 | C27 | H27 | 0.4° | 0.0° |
| C24 | N18 | C23 | C25 | 179.3° | 179.9° |
| C24 | N18 | C23 | C27 | 0.3° | 0.0° |
| N18 | C24 | H24 | H24A | 120.0° | 120.0° |
| N18 | C24 | H24 | H24B | 120.0° | 120.0° |
| N18 | C24 | H24A | H24B | 120.0° | 119.9° |
| N19 | C25 | C23 | C28 | 179.0° | 179.8° |
| N19 | C25 | C23 | C27 | 179.8° | 179.9° |
| N19 | C25 | C28 | C31 | 179.9° | 180.0° |
| N19 | C25 | C28 | H28 | 0.1° | 0.1° |
| C21 | C26 | C22 | C29 | 174.8° | 179.7° |
| C21 | C26 | C29 | C32 | 8.6° | 121.0° |
| C21 | C26 | C29 | C33 | 167.1° | 58.7° |
| C26 | C21 | C16 | H16 | 178.2° | 180.0° |
| C21 | C26 | C22 | H22 | 179.0° | 179.7° |
| C22 | C26 | C29 | C32 | 177.0° | 59.2° |
| C22 | C26 | C29 | C33 | 7.4° | 121.1° |
| C26 | C22 | C17 | H17 | 179.8° | 180.0° |
| C22 | C26 | C21 | H21 | 180.0° | 179.8° |
| C25 | C23 | C27 | C30 | 0.0° | 0.1° |
| C23 | C25 | C28 | C31 | 1.1° | 0.3° |
| C25 | C23 | C27 | H27 | 180.0° | 179.9° |
| C23 | C25 | C28 | H28 | 178.9° | 179.8° |
| C27 | C23 | C25 | C28 | 0.7° | 0.1° |
| C23 | C27 | C30 | H27 | 180.0° | 180.0° |
| C23 | C27 | C30 | C31 | 0.3° | 0.1° |
| C23 | C27 | C30 | H30 | 179.7° | 179.9° |
| C25 | C28 | C31 | H28 | 180.0° | 179.9° |
| C25 | C28 | C31 | C30 | 0.8° | 0.3° |
| C25 | C28 | C31 | H31 | 179.2° | 180.0° |
| C26 | C29 | C32 | C33 | 175.7° | 179.7° |
| C26 | C29 | C32 | C34 | 176.4° | 180.0° |
| C26 | C29 | C32 | C35 | 3.6° | 0.1° |
| C26 | C29 | C33 | C36 | 176.8° | 180.0° |
| C29 | C26 | C21 | H21 | 5.7° | 0.0° |
| C29 | C26 | C22 | H22 | 6.2° | 0.0° |
| C26 | C29 | C33 | H33 | 3.2° | 0.0° |
| C27 | C30 | C31 | C28 | 0.1° | 0.1° |
| C27 | C30 | C31 | H30 | 180.0° | 179.8° |
| C27 | C30 | C31 | H31 | 179.9° | 179.8° |
| C28 | C31 | C30 | H31 | 180.0° | 179.7° |
| C28 | C31 | C30 | H30 | 180.0° | 179.7° |
| C29 | C32 | C34 | C35 | 179.9° | 180.0° |
| C32 | C29 | C33 | C36 | 0.5° | 0.3° |
| C29 | C32 | C34 | C37 | 1.0° | 0.0° |
| C29 | C32 | C35 | O38 | 115.7° | 174.0° |
| C29 | C32 | C35 | O39 | 67.0° | 6.1° |
| C32 | C29 | C33 | H33 | 179.5° | 179.7° |
| C29 | C32 | C34 | H34 | 179.0° | 180.0° |
| C33 | C29 | C32 | C34 | 0.7° | 0.3° |
| C33 | C29 | C32 | C35 | 179.3° | 179.8° |
| C29 | C33 | C36 | H33 | 180.0° | 180.0° |
| C29 | C33 | C36 | C37 | 0.3° | 0.0° |
| C29 | C33 | C36 | H36 | 179.6° | 180.0° |
| C31 | C30 | C27 | H27 | 179.7° | 179.9° |
| C30 | C31 | C28 | H28 | 179.2° | 179.8° |
| C32 | C34 | C37 | H34 | 180.0° | 180.0° |
| C34 | C32 | C35 | O38 | 64.3° | 6.0° |
| C34 | C32 | C35 | O39 | 113.0° | 173.9° |
| C32 | C34 | C37 | C36 | 0.8° | 0.3° |
| C32 | C34 | C37 | H37 | 179.2° | 180.0° |
| C35 | C32 | C34 | C37 | 179.1° | 180.0° |
| C32 | C35 | O38 | O39 | 176.9° | 179.9° |
| C35 | C32 | C34 | H34 | 0.9° | 0.0° |
| C32 | C35 | O38 | HO38 | 176.9° | 180.0° |
| C33 | C36 | C37 | C34 | 0.5° | 0.3° |
| C33 | C36 | C37 | H36 | 180.0° | 180.0° |
| C33 | C36 | C37 | H37 | 179.5° | 180.0° |
| C34 | C37 | C36 | H37 | 180.0° | 179.8° |
| C34 | C37 | C36 | H36 | 179.5° | 179.8° |
| O39 | C35 | O38 | HO38 | 0.0° | 0.1° |
| C37 | C36 | C33 | H33 | 179.7° | 180.0° |
| C36 | C37 | C34 | H34 | 179.2° | 179.7° |
| H10 | C10 | C15 | H15 | 84.6° | 175.1° |
| H10 | C10 | C15 | H15A | 35.4° | 55.1° |
| H10A | C10 | C15 | H15 | 155.4° | 64.9° |
| H10A | C10 | C15 | H15A | 84.5° | 175.1° |
| H13 | C13 | H13A | H13B | 120.0° | 120.0° |
| H15 | C15 | C20 | H20 | 60.0° | 60.0° |
| H15 | C15 | C20 | H20A | 180.0° | 60.1° |
| H15 | C15 | C20 | H20B | 60.0° | 180.0° |
| H15A | C15 | C20 | H20 | 60.0° | 180.0° |
| H15A | C15 | C20 | H20A | 60.0° | 59.9° |
| H15A | C15 | C20 | H20B | 180.0° | 60.0° |
| H16 | C16 | C21 | H21 | 1.8° | 0.0° |
| H17 | C17 | C22 | H22 | 0.2° | 0.1° |
| H20 | C20 | H20A | H20B | 120.0° | 120.0° |
| H24 | C24 | H24A | H24B | 120.0° | 120.1° |
| H27 | C27 | C30 | H30 | 0.3° | 0.1° |
| H28 | C28 | C31 | H31 | 0.8° | 0.1° |
| H30 | C30 | C31 | H31 | 0.0° | 0.0° |
| H33 | C33 | C36 | H36 | 0.3° | 0.0° |
| H34 | C34 | C37 | H37 | 0.8° | 0.0° |
| H36 | C36 | C37 | H37 | 0.5° | 0.0° |
