0CA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C18 | sing | 1.41Å | 1.40Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.51Å | Aromatic |
| C30 | C29 | sing | 1.41Å | 1.41Å | Aromatic |
| C14 | C11 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C16 | N15 | sing | 1.37Å | 1.32Å | Aromatic |
| C16 | C21 | sing | 1.51Å | 1.53Å | |
| C21 | C38 | sing | 1.53Å | 1.55Å | |
| C21 | H2 | sing | 1.09Å | 1.10Å | |
| C22 | C20 | sing | 1.51Å | 1.56Å | |
| C22 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | C23 | sing | 1.36Å | 1.40Å | Aromatic |
| C24 | H4 | sing | 1.08Å | 1.08Å | |
| C25 | C22 | sing | 1.36Å | 1.40Å | Aromatic |
| C25 | H5 | sing | 1.08Å | 1.08Å | |
| C26 | C25 | doub | 1.41Å | 1.41Å | Aromatic |
| C26 | C27 | sing | 1.42Å | 1.39Å | Aromatic |
| C27 | C24 | doub | 1.41Å | 1.38Å | Aromatic |
| C11 | O10 | sing | 1.36Å | 1.38Å | |
| C11 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C4 | C3 | sing | 1.53Å | 1.56Å | |
| C4 | O10 | sing | 1.43Å | 1.44Å | |
| C4 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| C6 | N1 | sing | 1.47Å | 1.50Å | |
| C6 | C5 | sing | 1.53Å | 1.53Å | |
| C6 | H16 | sing | 1.09Å | 1.10Å | |
| C6 | H17 | sing | 1.09Å | 1.10Å | |
| C7 | N9 | doub | 1.29Å | 1.35Å | |
| C31 | C26 | sing | 1.40Å | 1.49Å | Aromatic |
| C31 | H19 | sing | 1.08Å | 1.08Å | |
| C32 | C30 | sing | 1.48Å | 1.40Å | |
| N33 | C32 | doub | 1.30Å | 1.36Å | |
| N33 | H20 | sing | 0.97Å | 1.00Å | |
| N34 | C32 | sing | 1.38Å | 1.34Å | |
| N34 | H21 | sing | 0.97Å | 1.00Å | |
| N34 | H22 | sing | 0.97Å | 1.00Å | |
| C29 | C28 | doub | 1.36Å | 1.38Å | Aromatic |
| C29 | H23 | sing | 1.08Å | 1.08Å | |
| C28 | C27 | sing | 1.41Å | 1.41Å | Aromatic |
| C28 | H24 | sing | 1.08Å | 1.08Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| N15 | C20 | sing | 1.46Å | 1.49Å | |
| C38 | H27 | sing | 1.09Å | 1.10Å | |
| C38 | H28 | sing | 1.09Å | 1.10Å | |
| C38 | H29 | sing | 1.09Å | 1.10Å | |
| C39 | C21 | sing | 1.53Å | 1.50Å | |
| C39 | H30 | sing | 1.09Å | 1.10Å | |
| C39 | H31 | sing | 1.09Å | 1.10Å | |
| C39 | H32 | sing | 1.09Å | 1.10Å | |
| C17 | C16 | doub | 1.35Å | 1.51Å | Aromatic |
| C17 | H33 | sing | 1.08Å | 1.08Å | |
| C18 | C17 | sing | 1.46Å | 1.52Å | Aromatic |
| C18 | C19 | doub | 1.41Å | 1.40Å | Aromatic |
| C35 | O36 | sing | 1.35Å | 1.24Å | |
| C35 | C13 | sing | 1.47Å | 1.53Å | |
| O36 | H34 | sing | 0.97Å | 0.95Å | |
| O37 | C35 | doub | 1.22Å | 1.27Å | |
| C19 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C19 | N15 | sing | 1.38Å | 1.34Å | Aromatic |
| C12 | H35 | sing | 1.08Å | 1.08Å | |
| N1 | C7 | sing | 1.37Å | 1.40Å | |
| N1 | C2 | sing | 1.47Å | 1.49Å | |
| C8 | C7 | sing | 1.51Å | 1.50Å | |
| C8 | H37 | sing | 1.09Å | 1.10Å | |
| C8 | H38 | sing | 1.09Å | 1.10Å | |
| C8 | H39 | sing | 1.09Å | 1.10Å | |
| N9 | H6 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | C18 | 118.2° | 119.4° |
| C13 | C14 | C11 | 120.2° | 120.1° |
| C13 | C14 | H1 | 119.9° | 119.9° |
| C14 | C13 | C35 | 119.7° | 120.3° |
| C13 | C18 | C17 | 131.3° | 133.9° |
| C13 | C18 | C19 | 121.2° | 119.9° |
| C18 | C13 | C35 | 122.1° | 120.3° |
| C31 | C30 | C29 | 120.3° | 120.5° |
| C30 | C31 | C26 | 114.4° | 119.4° |
| C30 | C31 | H19 | 122.8° | 120.2° |
| C31 | C30 | C32 | 118.4° | 119.7° |
| C29 | C30 | C32 | 121.2° | 119.7° |
| C30 | C29 | C28 | 121.0° | 120.9° |
| C30 | C29 | H23 | 119.5° | 119.5° |
| C11 | C14 | H1 | 119.9° | 120.0° |
| C14 | C11 | O10 | 125.0° | 119.6° |
| C14 | C11 | C12 | 120.7° | 120.8° |
| N15 | C16 | C21 | 124.7° | 125.0° |
| C16 | N15 | C20 | 126.0° | 125.1° |
| N15 | C16 | C17 | 110.7° | 109.9° |
| C16 | N15 | C19 | 111.4° | 109.9° |
| C16 | C21 | C38 | 110.0° | 109.4° |
| C16 | C21 | H2 | 108.4° | 109.5° |
| C16 | C21 | C39 | 109.6° | 109.5° |
| C21 | C16 | C17 | 124.6° | 125.1° |
| C38 | C21 | H2 | 108.1° | 109.5° |
| C21 | C38 | H27 | 109.5° | 109.5° |
| C21 | C38 | H28 | 109.5° | 109.4° |
| C21 | C38 | H29 | 109.5° | 109.4° |
| C38 | C21 | C39 | 112.0° | 109.5° |
| H2 | C21 | C39 | 108.7° | 109.5° |
| C20 | C22 | C23 | 118.5° | 119.5° |
| C20 | C22 | C25 | 123.1° | 119.5° |
| C22 | C20 | H25 | 108.9° | 109.4° |
| C22 | C20 | H26 | 108.9° | 109.4° |
| C22 | C20 | N15 | 111.6° | 109.5° |
| C22 | C23 | H3 | 119.3° | 119.5° |
| C22 | C23 | C24 | 121.5° | 121.0° |
| C23 | C22 | C25 | 118.4° | 121.0° |
| H3 | C23 | C24 | 119.2° | 119.5° |
| C23 | C24 | H4 | 120.0° | 120.1° |
| C23 | C24 | C27 | 120.0° | 119.7° |
| H4 | C24 | C27 | 120.0° | 120.2° |
| C22 | C25 | H5 | 120.2° | 120.2° |
| C22 | C25 | C26 | 119.5° | 119.6° |
| H5 | C25 | C26 | 120.2° | 120.2° |
| C25 | C26 | C27 | 121.4° | 119.4° |
| C25 | C26 | C31 | 116.3° | 121.1° |
| C26 | C27 | C24 | 119.1° | 119.3° |
| C27 | C26 | C31 | 122.1° | 119.5° |
| C26 | C27 | C28 | 119.6° | 119.7° |
| C24 | C27 | C28 | 121.3° | 121.0° |
| O10 | C11 | C12 | 114.3° | 119.6° |
| C11 | O10 | C4 | 119.9° | 117.0° |
| C11 | C12 | C19 | 120.1° | 120.2° |
| C11 | C12 | H35 | 120.0° | 119.9° |
| C3 | C2 | H9 | 110.1° | 109.6° |
| C3 | C2 | H10 | 110.1° | 109.6° |
| C2 | C3 | H11 | 109.0° | 109.5° |
| C2 | C3 | H12 | 109.0° | 109.5° |
| C2 | C3 | C4 | 111.3° | 109.3° |
| C3 | C2 | N1 | 106.8° | 108.8° |
| H9 | C2 | H10 | 109.5° | 109.6° |
| H9 | C2 | N1 | 110.1° | 109.5° |
| H10 | C2 | N1 | 110.1° | 109.6° |
| H11 | C3 | H12 | 109.5° | 109.6° |
| H11 | C3 | C4 | 109.0° | 109.5° |
| H12 | C3 | C4 | 109.0° | 109.5° |
| C3 | C4 | O10 | 105.4° | 109.5° |
| C3 | C4 | H13 | 109.3° | 109.5° |
| C3 | C4 | C5 | 113.0° | 109.5° |
| O10 | C4 | H13 | 110.9° | 109.5° |
| O10 | C4 | C5 | 108.7° | 109.5° |
| H13 | C4 | C5 | 109.5° | 109.4° |
| C4 | C5 | H14 | 109.7° | 109.5° |
| C4 | C5 | H15 | 109.7° | 109.5° |
| C4 | C5 | C6 | 108.7° | 109.3° |
| H14 | C5 | H15 | 109.5° | 109.5° |
| H14 | C5 | C6 | 109.6° | 109.5° |
| H15 | C5 | C6 | 109.7° | 109.5° |
| N1 | C6 | C5 | 107.0° | 108.8° |
| N1 | C6 | H16 | 110.1° | 109.6° |
| N1 | C6 | H17 | 110.1° | 109.6° |
| C6 | N1 | C7 | 122.2° | 120.6° |
| C6 | N1 | C2 | 116.9° | 118.7° |
| C5 | C6 | H16 | 110.0° | 109.6° |
| C5 | C6 | H17 | 110.1° | 109.6° |
| H16 | C6 | H17 | 109.5° | 109.7° |
| N9 | C7 | N1 | 122.4° | 120.0° |
| N9 | C7 | C8 | 117.1° | 120.0° |
| C7 | N9 | H6 | 112.0° | 120.0° |
| C26 | C31 | H19 | 122.8° | 120.3° |
| C30 | C32 | N33 | 118.1° | 120.0° |
| C30 | C32 | N34 | 123.5° | 120.0° |
| C32 | N33 | H20 | 112.0° | 120.0° |
| N33 | C32 | N34 | 118.4° | 120.0° |
| C32 | N34 | H21 | 120.0° | 120.0° |
| C32 | N34 | H22 | 120.0° | 120.0° |
| H21 | N34 | H22 | 120.0° | 120.0° |
| C28 | C29 | H23 | 119.5° | 119.5° |
| C29 | C28 | C27 | 122.5° | 119.9° |
| C29 | C28 | H24 | 118.8° | 120.1° |
| C27 | C28 | H24 | 118.8° | 120.0° |
| H25 | C20 | H26 | 109.4° | 109.5° |
| H25 | C20 | N15 | 108.9° | 109.5° |
| H26 | C20 | N15 | 108.9° | 109.5° |
| C20 | N15 | C19 | 122.6° | 125.1° |
| H27 | C38 | H28 | 109.5° | 109.5° |
| H27 | C38 | H29 | 109.4° | 109.5° |
| H28 | C38 | H29 | 109.5° | 109.4° |
| C21 | C39 | H30 | 109.5° | 109.5° |
| C21 | C39 | H31 | 109.4° | 109.5° |
| C21 | C39 | H32 | 109.5° | 109.5° |
| H30 | C39 | H31 | 109.5° | 109.5° |
| H30 | C39 | H32 | 109.5° | 109.4° |
| H31 | C39 | H32 | 109.5° | 109.5° |
| C16 | C17 | H33 | 130.0° | 126.5° |
| C16 | C17 | C18 | 99.9° | 107.0° |
| H33 | C17 | C18 | 130.0° | 126.5° |
| C17 | C18 | C19 | 107.5° | 106.2° |
| C18 | C19 | C12 | 119.6° | 119.6° |
| C18 | C19 | N15 | 110.5° | 107.1° |
| O36 | C35 | C13 | 118.2° | 120.0° |
| C35 | O36 | H34 | 109.5° | 117.0° |
| O36 | C35 | O37 | 123.9° | 120.0° |
| C13 | C35 | O37 | 117.8° | 120.0° |
| C12 | C19 | N15 | 129.8° | 133.3° |
| C19 | C12 | H35 | 119.9° | 119.9° |
| C7 | N1 | C2 | 120.6° | 120.6° |
| N1 | C7 | C8 | 120.2° | 120.0° |
| C7 | C8 | H37 | 109.5° | 109.5° |
| C7 | C8 | H38 | 109.5° | 109.5° |
| C7 | C8 | H39 | 109.5° | 109.5° |
| H37 | C8 | H38 | 109.4° | 109.5° |
| H37 | C8 | H39 | 109.5° | 109.4° |
| H38 | C8 | H39 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | C18 | C35 | 179.0° | 179.8° |
| C13 | C14 | C11 | H1 | 180.0° | 180.0° |
| C13 | C14 | C11 | O10 | 178.6° | 180.0° |
| C13 | C14 | C11 | C12 | 0.5° | 0.1° |
| C14 | C13 | C18 | C17 | 179.6° | 179.9° |
| C14 | C13 | C18 | C19 | 0.4° | 0.0° |
| C14 | C13 | C35 | O36 | 154.3° | 0.1° |
| C14 | C13 | C35 | O37 | 28.8° | 179.9° |
| C18 | C13 | C14 | C11 | 0.5° | 0.0° |
| C18 | C13 | C14 | H1 | 179.5° | 180.0° |
| C13 | C18 | C17 | C16 | 178.9° | 180.0° |
| C13 | C18 | C17 | H33 | 1.1° | 0.0° |
| C13 | C18 | C17 | C19 | 180.0° | 180.0° |
| C18 | C13 | C35 | O36 | 26.7° | 179.7° |
| C18 | C13 | C35 | O37 | 150.3° | 0.3° |
| C13 | C18 | C19 | C12 | 1.2° | 0.0° |
| C13 | C18 | C19 | N15 | 179.4° | 180.0° |
| C31 | C30 | C29 | C32 | 179.2° | 179.7° |
| C30 | C31 | C26 | C25 | 177.0° | 180.0° |
| C30 | C31 | C26 | C27 | 1.6° | 0.0° |
| C30 | C31 | C26 | H19 | 180.0° | 180.0° |
| C31 | C30 | C32 | N33 | 2.4° | 0.0° |
| C31 | C30 | C32 | N34 | 175.5° | 180.0° |
| C31 | C30 | C29 | C28 | 0.4° | 0.1° |
| C31 | C30 | C29 | H23 | 179.6° | 180.0° |
| C29 | C30 | C31 | C26 | 0.1° | 0.0° |
| C29 | C30 | C31 | H19 | 179.9° | 180.0° |
| C29 | C30 | C32 | N33 | 176.9° | 179.7° |
| C29 | C30 | C32 | N34 | 5.3° | 0.3° |
| C30 | C29 | C28 | H23 | 180.0° | 180.0° |
| C30 | C29 | C28 | C27 | 2.6° | 0.1° |
| C30 | C29 | C28 | H24 | 177.4° | 180.0° |
| C14 | C11 | O10 | C12 | 179.1° | 179.9° |
| C14 | C11 | O10 | C4 | 24.1° | 5.6° |
| C11 | C14 | C13 | C35 | 179.5° | 179.7° |
| C14 | C11 | C12 | C19 | 0.3° | 0.1° |
| C14 | C11 | C12 | H35 | 179.7° | 180.0° |
| H1 | C14 | C11 | O10 | 1.5° | 0.0° |
| H1 | C14 | C11 | C12 | 179.4° | 180.0° |
| H1 | C14 | C13 | C35 | 0.5° | 0.2° |
| N15 | C16 | C21 | C17 | 177.6° | 180.0° |
| N15 | C16 | C21 | C38 | 126.1° | 144.5° |
| N15 | C16 | C21 | H2 | 8.1° | 24.5° |
| C16 | N15 | C20 | C22 | 92.2° | 95.2° |
| C16 | N15 | C20 | H25 | 28.1° | 144.8° |
| C16 | N15 | C20 | H26 | 147.4° | 24.8° |
| C16 | N15 | C20 | C19 | 177.8° | 180.0° |
| N15 | C16 | C21 | C39 | 110.3° | 95.6° |
| N15 | C16 | C17 | H33 | 178.7° | 180.0° |
| N15 | C16 | C17 | C18 | 1.3° | 0.0° |
| C16 | N15 | C19 | C18 | 0.3° | 0.0° |
| C16 | N15 | C19 | C12 | 177.7° | 180.0° |
| C16 | C21 | C38 | H2 | 118.2° | 120.0° |
| C16 | C21 | C38 | C39 | 122.2° | 120.0° |
| C16 | C21 | H2 | C39 | 119.1° | 120.0° |
| C21 | C16 | N15 | C20 | 5.2° | 0.0° |
| C16 | C21 | C38 | H27 | 180.0° | 60.0° |
| C16 | C21 | C38 | H28 | 60.0° | 180.0° |
| C16 | C21 | C38 | H29 | 60.0° | 60.0° |
| C16 | C21 | C39 | H30 | 180.0° | 55.5° |
| C16 | C21 | C39 | H31 | 60.0° | 64.5° |
| C16 | C21 | C39 | H32 | 60.0° | 175.5° |
| C21 | C16 | C17 | H33 | 3.4° | 0.0° |
| C21 | C16 | C17 | C18 | 176.6° | 180.0° |
| C21 | C16 | N15 | C19 | 176.8° | 180.0° |
| C38 | C21 | H2 | C39 | 121.7° | 120.0° |
| C21 | C38 | H27 | H28 | 120.0° | 120.0° |
| C21 | C38 | H27 | H29 | 120.0° | 120.0° |
| C21 | C38 | H28 | H29 | 120.0° | 119.9° |
| C38 | C21 | C39 | H30 | 57.6° | 64.4° |
| C38 | C21 | C39 | H31 | 62.4° | 175.5° |
| C38 | C21 | C39 | H32 | 177.6° | 55.5° |
| C38 | C21 | C16 | C17 | 51.5° | 35.5° |
| H2 | C21 | C38 | H27 | 61.9° | 180.0° |
| H2 | C21 | C38 | H28 | 58.2° | 60.0° |
| H2 | C21 | C38 | H29 | 178.2° | 60.0° |
| H2 | C21 | C39 | H30 | 61.7° | 175.5° |
| H2 | C21 | C39 | H31 | 178.3° | 55.5° |
| H2 | C21 | C39 | H32 | 58.3° | 64.5° |
| H2 | C21 | C16 | C17 | 169.5° | 155.5° |
| C20 | C22 | C23 | C25 | 178.0° | 179.9° |
| C20 | C22 | C23 | H3 | 0.5° | 0.1° |
| C20 | C22 | C23 | C24 | 179.5° | 179.9° |
| C20 | C22 | C25 | H5 | 0.5° | 0.1° |
| C20 | C22 | C25 | C26 | 179.5° | 180.0° |
| C22 | C20 | H25 | H26 | 119.0° | 119.9° |
| C22 | C20 | H25 | N15 | 122.0° | 120.0° |
| C22 | C20 | H26 | N15 | 122.0° | 120.1° |
| C22 | C20 | N15 | C19 | 85.6° | 84.8° |
| C22 | C23 | H3 | C24 | 180.0° | 180.0° |
| C22 | C23 | C24 | H4 | 179.1° | 180.0° |
| C23 | C22 | C25 | H5 | 177.3° | 180.0° |
| C23 | C22 | C25 | C26 | 2.7° | 0.0° |
| C22 | C23 | C24 | C27 | 0.9° | 0.0° |
| C23 | C22 | C20 | H25 | 64.5° | 144.6° |
| C23 | C22 | C20 | H26 | 54.8° | 24.6° |
| C23 | C22 | C20 | N15 | 175.1° | 95.4° |
| H3 | C23 | C24 | H4 | 0.9° | 0.0° |
| H3 | C23 | C22 | C25 | 178.4° | 180.0° |
| H3 | C23 | C24 | C27 | 179.1° | 179.9° |
| C23 | C24 | H4 | C27 | 180.0° | 179.9° |
| C24 | C23 | C22 | C25 | 1.6° | 0.0° |
| C23 | C24 | C27 | C26 | 1.3° | 0.1° |
| C23 | C24 | C27 | C28 | 179.9° | 180.0° |
| H4 | C24 | C27 | C26 | 178.7° | 180.0° |
| H4 | C24 | C27 | C28 | 0.1° | 0.1° |
| C22 | C25 | H5 | C26 | 180.0° | 180.0° |
| C22 | C25 | C26 | C27 | 3.2° | 0.0° |
| C22 | C25 | C26 | C31 | 178.6° | 180.0° |
| C25 | C22 | C20 | H25 | 113.4° | 35.5° |
| C25 | C22 | C20 | H26 | 127.3° | 155.4° |
| C25 | C22 | C20 | N15 | 7.0° | 84.5° |
| H5 | C25 | C26 | C27 | 176.8° | 180.0° |
| H5 | C25 | C26 | C31 | 1.4° | 0.0° |
| C25 | C26 | C27 | C31 | 175.1° | 180.0° |
| C25 | C26 | C27 | C24 | 2.5° | 0.1° |
| C25 | C26 | C31 | H19 | 3.0° | 0.0° |
| C25 | C26 | C27 | C28 | 178.9° | 180.0° |
| C26 | C27 | C24 | C28 | 178.6° | 179.9° |
| C27 | C26 | C31 | H19 | 178.4° | 180.0° |
| C26 | C27 | C28 | C29 | 4.3° | 0.0° |
| C26 | C27 | C28 | H24 | 175.7° | 180.0° |
| C24 | C27 | C26 | C31 | 177.7° | 180.0° |
| C24 | C27 | C28 | C29 | 177.1° | 179.9° |
| C24 | C27 | C28 | H24 | 2.9° | 0.0° |
| C11 | O10 | C4 | C3 | 153.9° | 155.9° |
| C11 | O10 | C4 | H13 | 35.8° | 35.9° |
| C11 | O10 | C4 | C5 | 84.7° | 84.0° |
| O10 | C11 | C12 | C19 | 179.4° | 180.0° |
| O10 | C11 | C12 | H35 | 0.6° | 0.0° |
| C12 | C11 | O10 | C4 | 156.8° | 174.5° |
| C11 | C12 | C19 | C18 | 1.1° | 0.0° |
| C11 | C12 | C19 | H35 | 180.0° | 180.0° |
| C11 | C12 | C19 | N15 | 179.0° | 180.0° |
| C3 | C2 | H9 | H10 | 121.2° | 120.4° |
| C3 | C2 | H9 | N1 | 117.5° | 119.3° |
| C3 | C2 | H10 | N1 | 117.5° | 119.3° |
| C2 | C3 | H11 | H12 | 119.2° | 120.1° |
| C2 | C3 | H11 | C4 | 121.7° | 119.9° |
| C2 | C3 | H12 | C4 | 121.7° | 119.8° |
| C2 | C3 | C4 | O10 | 172.5° | 178.6° |
| C2 | C3 | C4 | H13 | 68.3° | 58.6° |
| C2 | C3 | C4 | C5 | 53.9° | 61.4° |
| C3 | C2 | N1 | C6 | 59.7° | 53.6° |
| C3 | C2 | N1 | C7 | 114.3° | 126.4° |
| H9 | C2 | H10 | N1 | 121.3° | 120.3° |
| H9 | C2 | C3 | H11 | 171.6° | 174.9° |
| H9 | C2 | C3 | H12 | 52.1° | 54.8° |
| H9 | C2 | C3 | C4 | 68.2° | 65.1° |
| H9 | C2 | N1 | C6 | 59.9° | 66.2° |
| H9 | C2 | N1 | C7 | 126.1° | 113.8° |
| H10 | C2 | C3 | H11 | 50.7° | 54.6° |
| H10 | C2 | C3 | H12 | 68.8° | 65.6° |
| H10 | C2 | C3 | C4 | 171.0° | 174.5° |
| H10 | C2 | N1 | C6 | 179.2° | 173.5° |
| H10 | C2 | N1 | C7 | 5.2° | 6.5° |
| H11 | C3 | H12 | C4 | 119.1° | 120.1° |
| H11 | C3 | C4 | O10 | 52.2° | 61.4° |
| H11 | C3 | C4 | H13 | 171.4° | 178.6° |
| H11 | C3 | C4 | C5 | 66.4° | 58.6° |
| H11 | C3 | C2 | N1 | 68.9° | 65.3° |
| H12 | C3 | C4 | O10 | 67.3° | 58.7° |
| H12 | C3 | C4 | H13 | 52.0° | 61.3° |
| H12 | C3 | C4 | C5 | 174.2° | 178.7° |
| H12 | C3 | C2 | N1 | 171.7° | 174.6° |
| C3 | C4 | O10 | H13 | 118.2° | 120.0° |
| C3 | C4 | O10 | C5 | 121.4° | 120.1° |
| C3 | C4 | H13 | C5 | 124.3° | 120.0° |
| C3 | C4 | C5 | H14 | 63.5° | 58.6° |
| C3 | C4 | C5 | H15 | 176.2° | 178.6° |
| C3 | C4 | C5 | C6 | 56.3° | 61.4° |
| C4 | C3 | C2 | N1 | 51.4° | 54.7° |
| O10 | C4 | H13 | C5 | 120.0° | 120.0° |
| O10 | C4 | C5 | H14 | 53.1° | 61.4° |
| O10 | C4 | C5 | H15 | 67.2° | 58.6° |
| O10 | C4 | C5 | C6 | 172.9° | 178.6° |
| H13 | C4 | C5 | H14 | 174.4° | 178.6° |
| H13 | C4 | C5 | H15 | 54.2° | 61.4° |
| H13 | C4 | C5 | C6 | 65.7° | 58.6° |
| C4 | C5 | H14 | H15 | 120.4° | 120.0° |
| C4 | C5 | H14 | C6 | 119.3° | 119.9° |
| C4 | C5 | H15 | C6 | 119.3° | 119.9° |
| C4 | C5 | C6 | N1 | 57.3° | 54.6° |
| C4 | C5 | C6 | H16 | 62.4° | 174.4° |
| C4 | C5 | C6 | H17 | 176.9° | 65.2° |
| H14 | C5 | H15 | C6 | 120.3° | 120.1° |
| H14 | C5 | C6 | N1 | 62.6° | 65.3° |
| H14 | C5 | C6 | H16 | 177.8° | 54.5° |
| H14 | C5 | C6 | H17 | 57.0° | 174.9° |
| H15 | C5 | C6 | N1 | 177.2° | 174.6° |
| H15 | C5 | C6 | H16 | 57.5° | 65.6° |
| H15 | C5 | C6 | H17 | 63.2° | 54.8° |
| N1 | C6 | C5 | H16 | 119.6° | 119.8° |
| N1 | C6 | C5 | H17 | 119.6° | 119.8° |
| N1 | C6 | H16 | H17 | 121.1° | 120.4° |
| C6 | N1 | C7 | N9 | 178.6° | 0.1° |
| C6 | N1 | C7 | C2 | 173.7° | 180.0° |
| C6 | N1 | C7 | C8 | 4.6° | 180.0° |
| C5 | C6 | H16 | H17 | 121.1° | 120.3° |
| C5 | C6 | N1 | C7 | 110.3° | 126.4° |
| C5 | C6 | N1 | C2 | 63.6° | 53.6° |
| H16 | C6 | N1 | C7 | 130.1° | 6.6° |
| H16 | C6 | N1 | C2 | 56.0° | 173.4° |
| H17 | C6 | N1 | C7 | 9.4° | 113.8° |
| H17 | C6 | N1 | C2 | 176.8° | 66.2° |
| N9 | C7 | N1 | C8 | 174.0° | 179.9° |
| N9 | C7 | N1 | C2 | 7.8° | 179.9° |
| N9 | C7 | C8 | H37 | 180.0° | 0.0° |
| N9 | C7 | C8 | H38 | 60.0° | 120.1° |
| N9 | C7 | C8 | H39 | 60.0° | 120.0° |
| C26 | C31 | C30 | C32 | 179.1° | 179.7° |
| C31 | C26 | C27 | C28 | 3.7° | 0.0° |
| H19 | C31 | C30 | C32 | 0.8° | 0.3° |
| C30 | C32 | N33 | N34 | 177.9° | 179.9° |
| C30 | C32 | N33 | H20 | 177.9° | 179.9° |
| C30 | C32 | N34 | H21 | 177.8° | 0.0° |
| C30 | C32 | N34 | H22 | 2.2° | 180.0° |
| C32 | C30 | C29 | C28 | 179.6° | 179.8° |
| C32 | C30 | C29 | H23 | 0.3° | 0.3° |
| N33 | C32 | N34 | H21 | 0.0° | 180.0° |
| N33 | C32 | N34 | H22 | 180.0° | 0.1° |
| H20 | N33 | C32 | N34 | 0.0° | 0.1° |
| C32 | N34 | H21 | H22 | 180.0° | 179.9° |
| C29 | C28 | C27 | H24 | 180.0° | 179.9° |
| H23 | C29 | C28 | C27 | 177.3° | 180.0° |
| H23 | C29 | C28 | H24 | 2.7° | 0.0° |
| H25 | C20 | H26 | N15 | 119.0° | 120.0° |
| H25 | C20 | N15 | C19 | 154.1° | 35.2° |
| H26 | C20 | N15 | C19 | 34.8° | 155.2° |
| C20 | N15 | C16 | C17 | 176.9° | 180.0° |
| C20 | N15 | C19 | C18 | 177.8° | 180.0° |
| C20 | N15 | C19 | C12 | 4.2° | 0.1° |
| H27 | C38 | H28 | H29 | 120.0° | 120.0° |
| H27 | C38 | C21 | C39 | 57.8° | 60.0° |
| H28 | C38 | C21 | C39 | 177.9° | 60.1° |
| H29 | C38 | C21 | C39 | 62.1° | 180.0° |
| C21 | C39 | H30 | H31 | 120.0° | 120.0° |
| C21 | C39 | H30 | H32 | 120.0° | 120.0° |
| C21 | C39 | H31 | H32 | 120.0° | 120.0° |
| C39 | C21 | C16 | C17 | 72.1° | 84.4° |
| H30 | C39 | H31 | H32 | 120.0° | 120.0° |
| C16 | C17 | H33 | C18 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 1.1° | 0.0° |
| C17 | C16 | N15 | C19 | 1.1° | 0.0° |
| H33 | C17 | C18 | C19 | 178.9° | 180.0° |
| C17 | C18 | C13 | C35 | 1.4° | 0.3° |
| C17 | C18 | C19 | C12 | 178.8° | 180.0° |
| C17 | C18 | C19 | N15 | 0.6° | 0.0° |
| C19 | C18 | C13 | C35 | 178.6° | 179.8° |
| C18 | C19 | C12 | N15 | 177.9° | 180.0° |
| C18 | C19 | C12 | H35 | 178.9° | 180.0° |
| O36 | C35 | C13 | O37 | 176.9° | 180.0° |
| C13 | C35 | O36 | H34 | 176.8° | 180.0° |
| H34 | O36 | C35 | O37 | 0.0° | 0.0° |
| N15 | C19 | C12 | H35 | 1.0° | 0.0° |
| N1 | C7 | C8 | H37 | 5.7° | 179.9° |
| N1 | C7 | C8 | H38 | 114.3° | 60.0° |
| N1 | C7 | C8 | H39 | 125.7° | 60.0° |
| N1 | C7 | N9 | H6 | 174.2° | 180.0° |
| C2 | N1 | C7 | C8 | 178.2° | 0.0° |
| C7 | C8 | H37 | H38 | 120.0° | 120.1° |
| C7 | C8 | H37 | H39 | 120.1° | 120.0° |
| C7 | C8 | H38 | H39 | 120.0° | 120.0° |
| C8 | C7 | N9 | H6 | 0.0° | 0.1° |
| H37 | C8 | H38 | H39 | 120.0° | 119.9° |
