X9M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C40 | O41 | sing | 1.43Å | 1.44Å | |
| C40 | C39 | sing | 1.53Å | 1.53Å | |
| O41 | C42 | sing | 1.43Å | 1.45Å | |
| C39 | N37 | sing | 1.47Å | 1.49Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C43 | N37 | sing | 1.47Å | 1.49Å | |
| N37 | C36 | sing | 1.35Å | 1.36Å | |
| O38 | C36 | doub | 1.22Å | 1.23Å | |
| C36 | C33 | sing | 1.48Å | 1.49Å | |
| C32 | C33 | doub | 1.40Å | 1.41Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C33 | C34 | sing | 1.40Å | 1.40Å | Aromatic |
| C31 | C30 | doub | 1.40Å | 1.40Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C35 | sing | 1.40Å | 1.40Å | Aromatic |
| C30 | C28 | sing | 1.48Å | 1.46Å | |
| C28 | N27 | doub | 1.31Å | 1.38Å | Aromatic |
| C28 | N29 | sing | 1.37Å | 1.31Å | Aromatic |
| N27 | C26 | sing | 1.35Å | 1.37Å | Aromatic |
| N29 | C25 | sing | 1.38Å | 1.35Å | Aromatic |
| C26 | N24 | doub | 1.33Å | 1.32Å | Aromatic |
| C26 | C25 | sing | 1.41Å | 1.42Å | Aromatic |
| N24 | C23 | sing | 1.31Å | 1.33Å | Aromatic |
| C25 | C1 | doub | 1.40Å | 1.41Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C22 | sing | 1.40Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.48Å | 1.49Å | |
| C3 | C2 | doub | 1.39Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.51Å | 1.52Å | |
| C7 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | N9 | sing | 1.40Å | 1.40Å | |
| N9 | C10 | sing | 1.35Å | 1.36Å | |
| C10 | O12 | doub | 1.21Å | 1.23Å | |
| C10 | C11 | sing | 1.48Å | 1.48Å | |
| C17 | C11 | doub | 1.40Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C18 | sing | 1.51Å | 1.51Å | |
| C21 | C18 | sing | 1.53Å | 1.54Å | |
| C20 | C18 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C3 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C8 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.08Å | 1.08Å | |
| C16 | H7 | sing | 1.08Å | 1.08Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C19 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.08Å | 1.08Å | |
| N29 | H18 | sing | 0.97Å | 1.00Å | |
| C31 | H19 | sing | 1.08Å | 1.08Å | |
| C32 | H20 | sing | 1.08Å | 1.08Å | |
| C34 | H21 | sing | 1.08Å | 1.08Å | |
| C35 | H22 | sing | 1.08Å | 1.08Å | |
| C4 | H23 | sing | 1.08Å | 1.08Å | |
| C5 | H24 | sing | 1.08Å | 1.08Å | |
| N9 | H25 | sing | 0.97Å | 1.00Å | |
| C17 | H26 | sing | 1.08Å | 1.08Å | |
| C23 | H27 | sing | 1.08Å | 1.08Å | |
| C39 | H29 | sing | 1.09Å | 1.10Å | |
| C39 | H30 | sing | 1.09Å | 1.10Å | |
| C40 | H31 | sing | 1.09Å | 1.10Å | |
| C40 | H32 | sing | 1.09Å | 1.10Å | |
| C42 | H33 | sing | 1.09Å | 1.10Å | |
| C42 | H34 | sing | 1.09Å | 1.10Å | |
| C43 | H35 | sing | 1.09Å | 1.10Å | |
| C43 | H36 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O41 | C40 | C39 | 110.7° | 109.2° |
| C40 | O41 | C42 | 119.6° | 114.2° |
| O41 | C40 | H31 | 109.1° | 109.6° |
| O41 | C40 | H32 | 109.2° | 109.5° |
| C40 | C39 | N37 | 110.0° | 108.4° |
| C40 | C39 | H29 | 109.4° | 109.7° |
| C40 | C39 | H30 | 109.4° | 109.7° |
| C39 | C40 | H31 | 109.2° | 109.5° |
| C39 | C40 | H32 | 109.1° | 109.5° |
| O41 | C42 | C43 | 112.2° | 109.3° |
| O41 | C42 | H33 | 108.8° | 109.5° |
| O41 | C42 | H34 | 108.8° | 109.5° |
| C39 | N37 | C43 | 119.0° | 118.0° |
| C39 | N37 | C36 | 118.7° | 121.0° |
| N37 | C39 | H29 | 109.3° | 109.7° |
| N37 | C39 | H30 | 109.4° | 109.7° |
| C42 | C43 | N37 | 110.9° | 108.6° |
| C43 | C42 | H33 | 108.8° | 109.6° |
| C43 | C42 | H34 | 108.8° | 109.3° |
| C42 | C43 | H35 | 109.1° | 109.7° |
| C42 | C43 | H36 | 109.1° | 109.7° |
| C43 | N37 | C36 | 122.4° | 121.0° |
| N37 | C43 | H35 | 109.1° | 109.8° |
| N37 | C43 | H36 | 109.1° | 109.3° |
| N37 | C36 | O38 | 120.2° | 120.0° |
| N37 | C36 | C33 | 122.7° | 120.0° |
| O38 | C36 | C33 | 117.1° | 120.0° |
| C36 | C33 | C32 | 121.2° | 120.0° |
| C36 | C33 | C34 | 117.9° | 120.0° |
| C33 | C32 | C31 | 120.0° | 120.0° |
| C32 | C33 | C34 | 120.8° | 120.0° |
| C33 | C32 | H20 | 120.0° | 120.0° |
| C32 | C31 | C30 | 118.7° | 120.0° |
| C32 | C31 | H19 | 120.7° | 120.0° |
| C31 | C32 | H20 | 120.0° | 120.0° |
| C33 | C34 | C35 | 119.4° | 120.0° |
| C33 | C34 | H21 | 120.3° | 120.0° |
| C31 | C30 | C35 | 121.9° | 120.0° |
| C31 | C30 | C28 | 118.2° | 120.0° |
| C30 | C31 | H19 | 120.7° | 120.0° |
| C34 | C35 | C30 | 119.2° | 120.0° |
| C35 | C34 | H21 | 120.3° | 120.0° |
| C34 | C35 | H22 | 120.4° | 120.0° |
| C35 | C30 | C28 | 119.9° | 120.0° |
| C30 | C35 | H22 | 120.4° | 120.0° |
| C30 | C28 | N27 | 123.9° | 125.1° |
| C30 | C28 | N29 | 125.1° | 125.2° |
| N27 | C28 | N29 | 110.9° | 109.7° |
| C28 | N27 | C26 | 106.6° | 109.8° |
| C28 | N29 | C25 | 108.2° | 107.1° |
| C28 | N29 | H18 | 125.9° | 126.4° |
| N27 | C26 | N24 | 130.4° | 133.1° |
| N27 | C26 | C25 | 105.9° | 107.0° |
| N29 | C25 | C26 | 108.3° | 106.4° |
| N29 | C25 | C1 | 132.8° | 134.2° |
| C25 | N29 | H18 | 125.9° | 126.5° |
| N24 | C26 | C25 | 123.7° | 119.9° |
| C26 | N24 | C23 | 117.9° | 121.8° |
| C26 | C25 | C1 | 118.8° | 119.3° |
| N24 | C23 | C22 | 122.9° | 121.6° |
| N24 | C23 | H27 | 118.5° | 119.2° |
| C25 | C1 | C22 | 115.5° | 117.9° |
| C25 | C1 | C2 | 120.4° | 121.0° |
| C23 | C22 | C1 | 121.2° | 119.3° |
| C23 | C22 | H17 | 119.4° | 120.3° |
| C22 | C23 | H27 | 118.6° | 119.2° |
| C22 | C1 | C2 | 124.1° | 121.1° |
| C1 | C22 | H17 | 119.4° | 120.3° |
| C1 | C2 | C3 | 118.6° | 120.1° |
| C1 | C2 | C7 | 124.4° | 120.1° |
| C2 | C3 | C4 | 122.3° | 120.0° |
| C3 | C2 | C7 | 117.0° | 119.8° |
| C2 | C3 | H1 | 118.8° | 120.0° |
| C3 | C4 | C5 | 120.5° | 120.2° |
| C4 | C3 | H1 | 118.9° | 120.0° |
| C3 | C4 | H23 | 119.7° | 119.9° |
| C2 | C7 | C8 | 120.5° | 120.1° |
| C2 | C7 | C6 | 119.7° | 119.8° |
| C4 | C5 | C6 | 118.1° | 120.2° |
| C5 | C4 | H23 | 119.7° | 119.9° |
| C4 | C5 | H24 | 121.0° | 119.9° |
| C8 | C7 | C6 | 119.8° | 120.1° |
| C7 | C8 | H2 | 109.5° | 109.5° |
| C7 | C8 | H3 | 109.4° | 109.5° |
| C7 | C8 | H4 | 109.5° | 109.5° |
| C7 | C6 | C5 | 122.2° | 120.0° |
| C7 | C6 | N9 | 119.7° | 120.0° |
| C5 | C6 | N9 | 117.9° | 120.0° |
| C6 | C5 | H24 | 120.9° | 119.9° |
| C6 | N9 | C10 | 123.8° | 120.0° |
| C6 | N9 | H25 | 118.1° | 120.0° |
| N9 | C10 | O12 | 120.7° | 120.0° |
| N9 | C10 | C11 | 119.6° | 120.0° |
| C10 | N9 | H25 | 118.1° | 120.0° |
| O12 | C10 | C11 | 119.6° | 120.0° |
| C10 | C11 | C17 | 119.5° | 120.2° |
| C10 | C11 | C13 | 122.0° | 120.1° |
| C11 | C17 | C16 | 120.6° | 119.9° |
| C17 | C11 | C13 | 118.4° | 119.7° |
| C11 | C17 | H26 | 119.7° | 120.1° |
| C17 | C16 | C15 | 121.3° | 120.1° |
| C17 | C16 | H7 | 119.3° | 119.9° |
| C16 | C17 | H26 | 119.7° | 120.1° |
| C11 | C13 | C14 | 120.4° | 119.8° |
| C11 | C13 | H5 | 119.8° | 120.1° |
| C16 | C15 | C14 | 118.3° | 120.3° |
| C16 | C15 | C18 | 120.2° | 119.9° |
| C15 | C16 | H7 | 119.4° | 120.0° |
| C13 | C14 | C15 | 121.0° | 120.2° |
| C14 | C13 | H5 | 119.8° | 120.1° |
| C13 | C14 | H6 | 119.5° | 119.9° |
| C14 | C15 | C18 | 121.5° | 119.8° |
| C15 | C14 | H6 | 119.5° | 119.9° |
| C15 | C18 | C21 | 111.0° | 109.4° |
| C15 | C18 | C20 | 110.0° | 109.5° |
| C15 | C18 | C19 | 112.2° | 109.5° |
| C21 | C18 | C20 | 107.8° | 109.5° |
| C21 | C18 | C19 | 107.5° | 109.5° |
| C18 | C21 | H14 | 109.5° | 109.5° |
| C18 | C21 | H15 | 109.5° | 109.4° |
| C18 | C21 | H16 | 109.5° | 109.4° |
| C20 | C18 | C19 | 108.1° | 109.5° |
| C18 | C20 | H11 | 109.5° | 109.4° |
| C18 | C20 | H12 | 109.5° | 109.5° |
| C18 | C20 | H13 | 109.5° | 109.5° |
| C18 | C19 | H8 | 109.5° | 109.5° |
| C18 | C19 | H9 | 109.5° | 109.5° |
| C18 | C19 | H10 | 109.4° | 109.5° |
| H2 | C8 | H3 | 109.5° | 109.4° |
| H2 | C8 | H4 | 109.5° | 109.4° |
| H3 | C8 | H4 | 109.5° | 109.5° |
| H8 | C19 | H9 | 109.5° | 109.5° |
| H8 | C19 | H10 | 109.5° | 109.4° |
| H9 | C19 | H10 | 109.5° | 109.4° |
| H11 | C20 | H12 | 109.5° | 109.5° |
| H11 | C20 | H13 | 109.4° | 109.5° |
| H12 | C20 | H13 | 109.5° | 109.5° |
| H14 | C21 | H15 | 109.5° | 109.5° |
| H14 | C21 | H16 | 109.5° | 109.5° |
| H15 | C21 | H16 | 109.5° | 109.4° |
| H29 | C39 | H30 | 109.4° | 109.7° |
| H31 | C40 | H32 | 109.5° | 109.5° |
| H33 | C42 | H34 | 109.4° | 109.6° |
| H35 | C43 | H36 | 109.5° | 109.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O41 | C40 | C39 | H31 | 120.2° | 120.0° |
| O41 | C40 | C39 | H32 | 120.2° | 119.9° |
| O41 | C40 | C39 | N37 | 50.3° | 52.3° |
| C40 | O41 | C42 | C43 | 1.4° | 62.5° |
| O41 | C40 | C39 | H29 | 170.4° | 67.5° |
| O41 | C40 | C39 | H30 | 69.7° | 172.1° |
| O41 | C40 | H31 | H32 | 119.4° | 120.1° |
| C40 | O41 | C42 | H33 | 121.8° | 177.5° |
| C40 | O41 | C42 | H34 | 119.0° | 57.3° |
| C39 | C40 | O41 | C42 | 50.4° | 62.6° |
| C40 | C39 | N37 | H29 | 120.1° | 119.7° |
| C40 | C39 | N37 | H30 | 120.1° | 119.8° |
| C40 | C39 | N37 | C43 | 4.7° | 50.3° |
| C40 | C39 | N37 | C36 | 174.3° | 129.5° |
| C40 | C39 | H29 | H30 | 119.8° | 120.5° |
| C39 | C40 | H31 | H32 | 119.4° | 120.1° |
| O41 | C42 | C43 | H33 | 120.4° | 120.0° |
| O41 | C42 | C43 | H34 | 120.4° | 119.9° |
| O41 | C42 | C43 | N37 | 44.2° | 52.0° |
| C42 | O41 | C40 | H31 | 69.8° | 177.4° |
| C42 | O41 | C40 | H32 | 170.6° | 57.3° |
| O41 | C42 | H33 | H34 | 118.8° | 120.2° |
| O41 | C42 | C43 | H35 | 164.5° | 172.0° |
| O41 | C42 | C43 | H36 | 76.0° | 67.4° |
| C39 | N37 | C43 | C42 | 42.4° | 50.2° |
| C39 | N37 | C43 | C36 | 179.0° | 179.8° |
| C39 | N37 | C36 | O38 | 0.4° | 5.5° |
| C39 | N37 | C36 | C33 | 179.7° | 174.6° |
| N37 | C39 | H29 | H30 | 119.8° | 120.5° |
| N37 | C39 | C40 | H31 | 69.8° | 172.3° |
| N37 | C39 | C40 | H32 | 170.5° | 67.6° |
| C39 | N37 | C43 | H35 | 162.6° | 170.2° |
| C39 | N37 | C43 | H36 | 77.8° | 69.4° |
| C42 | C43 | N37 | H35 | 120.2° | 119.9° |
| C42 | C43 | N37 | H36 | 120.2° | 119.6° |
| C42 | C43 | N37 | C36 | 138.6° | 129.5° |
| C43 | C42 | H33 | H34 | 118.8° | 120.0° |
| C42 | C43 | H35 | H36 | 119.3° | 120.5° |
| C43 | N37 | C36 | O38 | 179.4° | 174.3° |
| C43 | N37 | C36 | C33 | 0.7° | 5.7° |
| C43 | N37 | C39 | H29 | 124.8° | 69.4° |
| C43 | N37 | C39 | H30 | 115.4° | 170.1° |
| N37 | C43 | C42 | H33 | 76.2° | 172.0° |
| N37 | C43 | C42 | H34 | 164.7° | 67.8° |
| N37 | C43 | H35 | H36 | 119.4° | 120.2° |
| N37 | C36 | O38 | C33 | 179.9° | 179.9° |
| N37 | C36 | C33 | C32 | 59.7° | 32.4° |
| N37 | C36 | C33 | C34 | 124.5° | 147.6° |
| C36 | N37 | C39 | H29 | 54.2° | 110.8° |
| C36 | N37 | C39 | H30 | 65.6° | 9.7° |
| C36 | N37 | C43 | H35 | 18.4° | 9.6° |
| C36 | N37 | C43 | H36 | 101.2° | 110.8° |
| O38 | C36 | C33 | C32 | 120.4° | 147.7° |
| O38 | C36 | C33 | C34 | 55.4° | 32.3° |
| C36 | C33 | C32 | C34 | 175.7° | 180.0° |
| C36 | C33 | C32 | C31 | 178.1° | 180.0° |
| C36 | C33 | C34 | C35 | 177.1° | 180.0° |
| C36 | C33 | C32 | H20 | 1.9° | 0.0° |
| C36 | C33 | C34 | H21 | 2.9° | 0.1° |
| C33 | C32 | C31 | H20 | 180.0° | 180.0° |
| C33 | C32 | C31 | C30 | 0.9° | 0.0° |
| C32 | C33 | C34 | C35 | 1.2° | 0.0° |
| C33 | C32 | C31 | H19 | 179.1° | 180.0° |
| C32 | C33 | C34 | H21 | 178.8° | 179.9° |
| C31 | C32 | C33 | C34 | 2.4° | 0.0° |
| C32 | C31 | C30 | H19 | 180.0° | 180.0° |
| C32 | C31 | C30 | C35 | 1.9° | 0.0° |
| C32 | C31 | C30 | C28 | 179.5° | 179.8° |
| C33 | C34 | C35 | H21 | 180.0° | 179.9° |
| C33 | C34 | C35 | C30 | 1.4° | 0.1° |
| C34 | C33 | C32 | H20 | 177.6° | 179.9° |
| C33 | C34 | C35 | H22 | 178.6° | 179.8° |
| C31 | C30 | C35 | C34 | 3.0° | 0.0° |
| C31 | C30 | C35 | C28 | 177.6° | 179.8° |
| C31 | C30 | C28 | N27 | 2.6° | 179.7° |
| C31 | C30 | C28 | N29 | 178.5° | 0.6° |
| C30 | C31 | C32 | H20 | 179.1° | 180.0° |
| C31 | C30 | C35 | H22 | 177.0° | 179.8° |
| C34 | C35 | C30 | H22 | 180.0° | 179.7° |
| C34 | C35 | C30 | C28 | 179.3° | 179.7° |
| C35 | C30 | C28 | N27 | 175.1° | 0.1° |
| C35 | C30 | C28 | N29 | 0.7° | 179.6° |
| C35 | C30 | C31 | H19 | 178.1° | 180.0° |
| C30 | C35 | C34 | H21 | 178.6° | 180.0° |
| C30 | C28 | N27 | N29 | 176.4° | 179.7° |
| C30 | C28 | N27 | C26 | 176.3° | 180.0° |
| C30 | C28 | N29 | C25 | 175.8° | 180.0° |
| C30 | C28 | N29 | H18 | 4.2° | 0.7° |
| C28 | C30 | C31 | H19 | 0.4° | 0.3° |
| C28 | C30 | C35 | H22 | 0.7° | 0.0° |
| N27 | C28 | N29 | C25 | 0.6° | 0.3° |
| C28 | N27 | C26 | N24 | 179.4° | 180.0° |
| C28 | N27 | C26 | C25 | 0.4° | 0.2° |
| N27 | C28 | N29 | H18 | 179.4° | 179.6° |
| N29 | C28 | N27 | C26 | 0.1° | 0.3° |
| C28 | N29 | C25 | H18 | 180.0° | 179.3° |
| C28 | N29 | C25 | C26 | 0.8° | 0.2° |
| C28 | N29 | C25 | C1 | 179.4° | 179.4° |
| N27 | C26 | C25 | N29 | 0.7° | 0.0° |
| N27 | C26 | N24 | C25 | 179.7° | 179.8° |
| N27 | C26 | N24 | C23 | 179.6° | 179.9° |
| N27 | C26 | C25 | C1 | 179.4° | 179.7° |
| N29 | C25 | C26 | N24 | 179.1° | 179.8° |
| N29 | C25 | C26 | C1 | 179.9° | 179.6° |
| N29 | C25 | C1 | C22 | 178.8° | 180.0° |
| N29 | C25 | C1 | C2 | 0.4° | 0.2° |
| N24 | C26 | C25 | C1 | 0.8° | 0.5° |
| C26 | N24 | C23 | C22 | 1.9° | 0.1° |
| C26 | N24 | C23 | H27 | 178.1° | 180.0° |
| C25 | C26 | N24 | C23 | 0.6° | 0.3° |
| C26 | C25 | C1 | C22 | 1.4° | 0.5° |
| C26 | C25 | C1 | C2 | 179.8° | 179.7° |
| C26 | C25 | N29 | H18 | 179.2° | 179.5° |
| N24 | C23 | C22 | H27 | 180.0° | 180.0° |
| N24 | C23 | C22 | C1 | 4.3° | 0.1° |
| N24 | C23 | C22 | H17 | 175.7° | 180.0° |
| C25 | C1 | C22 | C23 | 3.8° | 0.3° |
| C25 | C1 | C22 | C2 | 178.3° | 179.8° |
| C25 | C1 | C2 | C3 | 41.3° | 115.0° |
| C25 | C1 | C2 | C7 | 135.9° | 64.8° |
| C25 | C1 | C22 | H17 | 176.2° | 179.8° |
| C1 | C25 | N29 | H18 | 0.7° | 0.1° |
| C23 | C22 | C1 | H17 | 180.0° | 179.9° |
| C23 | C22 | C1 | C2 | 177.9° | 180.0° |
| C22 | C1 | C2 | C3 | 136.9° | 65.2° |
| C22 | C1 | C2 | C7 | 45.9° | 115.0° |
| C1 | C22 | C23 | H27 | 175.7° | 180.0° |
| C1 | C2 | C3 | C7 | 177.4° | 179.8° |
| C1 | C2 | C3 | C4 | 178.3° | 180.0° |
| C1 | C2 | C7 | C8 | 0.4° | 0.0° |
| C1 | C2 | C7 | C6 | 179.3° | 180.0° |
| C1 | C2 | C3 | H1 | 1.7° | 0.0° |
| C2 | C1 | C22 | H17 | 2.1° | 0.0° |
| C2 | C3 | C4 | H1 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.0° |
| C3 | C2 | C7 | C8 | 176.9° | 179.8° |
| C3 | C2 | C7 | C6 | 3.4° | 0.3° |
| C2 | C3 | C4 | H23 | 180.0° | 180.0° |
| C4 | C3 | C2 | C7 | 0.9° | 0.3° |
| C3 | C4 | C5 | H23 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 1.6° | 0.3° |
| C3 | C4 | C5 | H24 | 178.4° | 179.9° |
| C2 | C7 | C8 | C6 | 179.7° | 180.0° |
| C2 | C7 | C6 | C5 | 5.3° | 0.0° |
| C2 | C7 | C6 | N9 | 179.8° | 180.0° |
| C7 | C2 | C3 | H1 | 179.1° | 179.7° |
| C2 | C7 | C8 | H2 | 89.8° | 90.0° |
| C2 | C7 | C8 | H3 | 150.1° | 150.0° |
| C2 | C7 | C8 | H4 | 30.1° | 30.0° |
| C4 | C5 | C6 | C7 | 4.3° | 0.3° |
| C4 | C5 | C6 | H24 | 180.0° | 179.8° |
| C4 | C5 | C6 | N9 | 179.3° | 179.7° |
| C5 | C4 | C3 | H1 | 180.0° | 180.0° |
| C8 | C7 | C6 | C5 | 175.0° | 180.0° |
| C8 | C7 | C6 | N9 | 0.1° | 0.0° |
| C7 | C8 | H2 | H3 | 120.0° | 120.0° |
| C7 | C8 | H2 | H4 | 120.0° | 120.0° |
| C7 | C8 | H3 | H4 | 120.0° | 120.0° |
| C7 | C6 | C5 | N9 | 175.0° | 180.0° |
| C7 | C6 | N9 | C10 | 86.2° | 146.0° |
| C6 | C7 | C8 | H2 | 89.9° | 90.0° |
| C6 | C7 | C8 | H3 | 30.2° | 30.0° |
| C6 | C7 | C8 | H4 | 150.2° | 150.1° |
| C7 | C6 | C5 | H24 | 175.7° | 179.9° |
| C7 | C6 | N9 | H25 | 93.8° | 34.0° |
| C5 | C6 | N9 | C10 | 98.6° | 34.0° |
| C6 | C5 | C4 | H23 | 178.4° | 179.8° |
| C5 | C6 | N9 | H25 | 81.4° | 146.0° |
| C6 | N9 | C10 | H25 | 180.0° | 180.0° |
| C6 | N9 | C10 | O12 | 1.4° | 5.0° |
| C6 | N9 | C10 | C11 | 175.7° | 175.0° |
| N9 | C6 | C5 | H24 | 0.7° | 0.1° |
| N9 | C10 | O12 | C11 | 177.1° | 180.0° |
| N9 | C10 | C11 | C17 | 14.5° | 0.2° |
| N9 | C10 | C11 | C13 | 168.9° | 180.0° |
| O12 | C10 | C11 | C17 | 162.7° | 179.7° |
| O12 | C10 | C11 | C13 | 13.9° | 0.0° |
| O12 | C10 | N9 | H25 | 178.6° | 175.1° |
| C10 | C11 | C17 | C13 | 176.8° | 179.8° |
| C10 | C11 | C17 | C16 | 177.6° | 179.7° |
| C10 | C11 | C13 | C14 | 179.5° | 179.9° |
| C10 | C11 | C13 | H5 | 0.5° | 0.0° |
| C11 | C10 | N9 | H25 | 4.3° | 4.9° |
| C10 | C11 | C17 | H26 | 2.4° | 0.0° |
| C11 | C17 | C16 | H26 | 180.0° | 179.7° |
| C11 | C17 | C16 | C15 | 0.9° | 0.6° |
| C17 | C11 | C13 | C14 | 2.8° | 0.3° |
| C17 | C11 | C13 | H5 | 177.2° | 179.8° |
| C11 | C17 | C16 | H7 | 179.2° | 179.6° |
| C16 | C17 | C11 | C13 | 0.8° | 0.6° |
| C17 | C16 | C15 | H7 | 180.0° | 179.8° |
| C17 | C16 | C15 | C14 | 0.6° | 0.4° |
| C17 | C16 | C15 | C18 | 178.8° | 179.7° |
| C11 | C13 | C14 | H5 | 180.0° | 179.9° |
| C11 | C13 | C14 | C15 | 3.1° | 0.1° |
| C11 | C13 | C14 | H6 | 176.9° | 179.9° |
| C13 | C11 | C17 | H26 | 179.2° | 179.7° |
| C16 | C15 | C14 | C13 | 1.4° | 0.1° |
| C16 | C15 | C14 | C18 | 179.4° | 179.9° |
| C16 | C15 | C18 | C21 | 51.4° | 0.0° |
| C16 | C15 | C18 | C20 | 67.8° | 120.0° |
| C16 | C15 | C18 | C19 | 171.8° | 120.0° |
| C16 | C15 | C14 | H6 | 178.6° | 180.0° |
| C15 | C16 | C17 | H26 | 179.1° | 179.7° |
| C13 | C14 | C15 | H6 | 180.0° | 179.9° |
| C13 | C14 | C15 | C18 | 179.2° | 180.0° |
| C14 | C15 | C18 | C21 | 129.2° | 179.9° |
| C14 | C15 | C18 | C20 | 111.6° | 60.0° |
| C14 | C15 | C18 | C19 | 8.8° | 59.9° |
| C15 | C14 | C13 | H5 | 176.9° | 180.0° |
| C14 | C15 | C16 | H7 | 179.4° | 179.9° |
| C15 | C18 | C21 | C20 | 120.5° | 120.0° |
| C15 | C18 | C21 | C19 | 123.1° | 120.0° |
| C15 | C18 | C20 | C19 | 122.9° | 120.0° |
| C18 | C15 | C14 | H6 | 0.7° | 0.1° |
| C18 | C15 | C16 | H7 | 1.2° | 0.0° |
| C15 | C18 | C19 | H8 | 180.0° | 60.0° |
| C15 | C18 | C19 | H9 | 60.0° | 180.0° |
| C15 | C18 | C19 | H10 | 60.0° | 60.0° |
| C15 | C18 | C20 | H11 | 180.0° | 60.0° |
| C15 | C18 | C20 | H12 | 60.0° | 180.0° |
| C15 | C18 | C20 | H13 | 60.0° | 60.0° |
| C15 | C18 | C21 | H14 | 180.0° | 60.0° |
| C15 | C18 | C21 | H15 | 60.0° | 180.0° |
| C15 | C18 | C21 | H16 | 60.0° | 60.1° |
| C21 | C18 | C20 | C19 | 116.0° | 120.0° |
| C21 | C18 | C19 | H8 | 57.7° | 179.9° |
| C21 | C18 | C19 | H9 | 62.3° | 60.0° |
| C21 | C18 | C19 | H10 | 177.7° | 59.9° |
| C21 | C18 | C20 | H11 | 58.8° | 60.0° |
| C21 | C18 | C20 | H12 | 178.8° | 60.0° |
| C21 | C18 | C20 | H13 | 61.1° | 180.0° |
| C18 | C21 | H14 | H15 | 120.0° | 120.0° |
| C18 | C21 | H14 | H16 | 120.0° | 120.0° |
| C18 | C21 | H15 | H16 | 120.0° | 119.9° |
| C20 | C18 | C19 | H8 | 58.5° | 60.0° |
| C20 | C18 | C19 | H9 | 178.5° | 60.0° |
| C20 | C18 | C19 | H10 | 61.5° | 180.0° |
| C18 | C20 | H11 | H12 | 120.0° | 120.0° |
| C18 | C20 | H11 | H13 | 120.0° | 120.0° |
| C18 | C20 | H12 | H13 | 120.0° | 120.0° |
| C20 | C18 | C21 | H14 | 59.5° | 180.0° |
| C20 | C18 | C21 | H15 | 60.5° | 60.0° |
| C20 | C18 | C21 | H16 | 179.5° | 60.0° |
| C18 | C19 | H8 | H9 | 120.0° | 120.0° |
| C18 | C19 | H8 | H10 | 120.0° | 120.0° |
| C18 | C19 | H9 | H10 | 120.0° | 120.0° |
| C19 | C18 | C20 | H11 | 57.2° | 180.0° |
| C19 | C18 | C20 | H12 | 62.9° | 60.0° |
| C19 | C18 | C20 | H13 | 177.1° | 60.0° |
| C19 | C18 | C21 | H14 | 56.9° | 60.0° |
| C19 | C18 | C21 | H15 | 176.9° | 60.1° |
| C19 | C18 | C21 | H16 | 63.1° | 180.0° |
| H1 | C3 | C4 | H23 | 0.0° | 0.0° |
| H2 | C8 | H3 | H4 | 120.0° | 120.0° |
| H5 | C13 | C14 | H6 | 3.1° | 0.2° |
| H7 | C16 | C17 | H26 | 0.8° | 0.1° |
| H8 | C19 | H9 | H10 | 120.0° | 119.9° |
| H11 | C20 | H12 | H13 | 120.0° | 120.0° |
| H14 | C21 | H15 | H16 | 120.0° | 120.0° |
| H17 | C22 | C23 | H27 | 4.3° | 0.0° |
| H19 | C31 | C32 | H20 | 0.8° | 0.1° |
| H21 | C34 | C35 | H22 | 1.4° | 0.3° |
| H23 | C4 | C5 | H24 | 1.6° | 0.0° |
| H29 | C39 | C40 | H31 | 50.2° | 52.5° |
| H29 | C39 | C40 | H32 | 69.4° | 172.6° |
| H30 | C39 | C40 | H31 | 170.1° | 68.0° |
| H30 | C39 | C40 | H32 | 50.4° | 52.2° |
| H33 | C42 | C43 | H35 | 44.1° | 68.0° |
| H33 | C42 | C43 | H36 | 163.6° | 52.6° |
| H34 | C42 | C43 | H35 | 75.1° | 52.2° |
| H34 | C42 | C43 | H36 | 44.4° | 172.7° |
