E4J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C28 | sing | 1.53Å | 1.50Å | |
| C28 | C25 | sing | 1.53Å | 1.51Å | |
| C25 | C22 | sing | 1.53Å | 1.47Å | |
| C22 | N20 | sing | 1.47Å | 1.44Å | |
| N20 | C18 | sing | 1.35Å | 1.33Å | |
| O19 | C18 | doub | 1.21Å | 1.23Å | |
| C18 | C12 | sing | 1.51Å | 1.51Å | |
| C14 | C12 | sing | 1.53Å | 1.51Å | |
| C12 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | C5 | sing | 1.53Å | 1.53Å | |
| O50 | C49 | doub | 1.21Å | 1.22Å | |
| C5 | C3 | sing | 1.53Å | 1.54Å | |
| C5 | O7 | sing | 1.43Å | 1.43Å | |
| C3 | C35 | sing | 1.53Å | 1.54Å | |
| C3 | N1 | sing | 1.46Å | 1.46Å | |
| C47 | C45 | doub | 1.38Å | 1.39Å | Aromatic |
| C47 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C38 | sing | 1.51Å | 1.53Å | |
| C49 | N1 | sing | 1.35Å | 1.34Å | |
| C49 | C51 | sing | 1.48Å | 1.50Å | |
| C45 | C43 | sing | 1.38Å | 1.38Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C60 | O59 | sing | 1.43Å | 1.43Å | |
| C57 | C51 | doub | 1.40Å | 1.40Å | Aromatic |
| C57 | C56 | sing | 1.39Å | 1.40Å | Aromatic |
| C51 | C52 | sing | 1.40Å | 1.39Å | Aromatic |
| C43 | C41 | doub | 1.38Å | 1.38Å | Aromatic |
| C39 | C41 | sing | 1.38Å | 1.39Å | Aromatic |
| O59 | C56 | sing | 1.36Å | 1.36Å | |
| C56 | N55 | doub | 1.32Å | 1.33Å | Aromatic |
| C52 | C54 | doub | 1.39Å | 1.40Å | Aromatic |
| N55 | C54 | sing | 1.32Å | 1.34Å | Aromatic |
| C54 | N64 | sing | 1.39Å | 1.41Å | |
| N64 | C66 | sing | 1.46Å | 1.46Å | |
| C66 | C69 | sing | 1.53Å | 1.52Å | |
| C72 | C69 | sing | 1.53Å | 1.51Å | |
| C72 | C75 | sing | 1.53Å | 1.54Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| O7 | H3 | sing | 0.97Å | 0.95Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C25 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.09Å | 1.10Å | |
| C31 | H14 | sing | 1.09Å | 1.10Å | |
| C31 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C35 | H17 | sing | 1.09Å | 1.10Å | |
| C35 | H18 | sing | 1.09Å | 1.10Å | |
| C39 | H19 | sing | 1.08Å | 1.08Å | |
| C41 | H20 | sing | 1.08Å | 1.08Å | |
| C43 | H21 | sing | 1.08Å | 1.08Å | |
| C45 | H22 | sing | 1.08Å | 1.08Å | |
| C47 | H23 | sing | 1.08Å | 1.08Å | |
| C52 | H24 | sing | 1.08Å | 1.08Å | |
| C57 | H25 | sing | 1.08Å | 1.08Å | |
| C60 | H26 | sing | 1.09Å | 1.10Å | |
| C60 | H27 | sing | 1.09Å | 1.10Å | |
| C60 | H28 | sing | 1.09Å | 1.10Å | |
| C66 | H29 | sing | 1.09Å | 1.10Å | |
| C66 | H30 | sing | 1.09Å | 1.10Å | |
| C69 | H31 | sing | 1.09Å | 1.10Å | |
| C69 | H32 | sing | 1.09Å | 1.10Å | |
| C72 | H33 | sing | 1.09Å | 1.10Å | |
| C72 | H34 | sing | 1.09Å | 1.10Å | |
| C75 | H35 | sing | 1.09Å | 1.10Å | |
| C75 | H36 | sing | 1.09Å | 1.10Å | |
| C75 | H37 | sing | 1.09Å | 1.10Å | |
| C9 | H38 | sing | 1.09Å | 1.10Å | |
| C9 | H39 | sing | 1.09Å | 1.10Å | |
| N1 | H40 | sing | 0.97Å | 1.00Å | |
| N20 | H41 | sing | 0.97Å | 1.00Å | |
| N64 | H42 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C28 | C25 | 113.1° | 109.4° |
| C31 | C28 | H12 | 108.6° | 109.5° |
| C31 | C28 | H13 | 108.5° | 109.5° |
| C28 | C31 | H14 | 109.5° | 109.5° |
| C28 | C31 | H15 | 109.5° | 109.5° |
| C28 | C31 | H16 | 109.5° | 109.4° |
| C28 | C25 | C22 | 111.1° | 109.5° |
| C28 | C25 | H10 | 109.0° | 109.5° |
| C28 | C25 | H11 | 109.0° | 109.5° |
| C25 | C28 | H12 | 108.6° | 109.4° |
| C25 | C28 | H13 | 108.6° | 109.4° |
| C25 | C22 | N20 | 112.3° | 109.4° |
| C25 | C22 | H8 | 108.8° | 109.5° |
| C25 | C22 | H9 | 108.8° | 109.4° |
| C22 | C25 | H10 | 109.1° | 109.5° |
| C22 | C25 | H11 | 109.1° | 109.5° |
| C22 | N20 | C18 | 121.8° | 119.9° |
| N20 | C22 | H8 | 108.7° | 109.5° |
| N20 | C22 | H9 | 108.8° | 109.5° |
| C22 | N20 | H41 | 119.1° | 120.0° |
| N20 | C18 | O19 | 122.6° | 120.0° |
| N20 | C18 | C12 | 116.8° | 120.0° |
| C18 | N20 | H41 | 119.1° | 120.0° |
| O19 | C18 | C12 | 120.6° | 120.0° |
| C18 | C12 | C14 | 108.7° | 109.5° |
| C18 | C12 | C9 | 111.4° | 109.5° |
| C18 | C12 | H4 | 108.5° | 109.5° |
| C14 | C12 | C9 | 111.3° | 109.4° |
| C14 | C12 | H4 | 108.6° | 109.4° |
| C12 | C14 | H5 | 109.5° | 109.5° |
| C12 | C14 | H6 | 109.5° | 109.5° |
| C12 | C14 | H7 | 109.4° | 109.5° |
| C12 | C9 | C5 | 112.6° | 109.4° |
| C9 | C12 | H4 | 108.3° | 109.5° |
| C12 | C9 | H38 | 108.7° | 109.4° |
| C12 | C9 | H39 | 108.7° | 109.5° |
| C9 | C5 | C3 | 112.3° | 109.4° |
| C9 | C5 | O7 | 109.2° | 109.5° |
| C9 | C5 | H2 | 107.2° | 109.5° |
| C5 | C9 | H38 | 108.7° | 109.5° |
| C5 | C9 | H39 | 108.7° | 109.5° |
| O50 | C49 | N1 | 121.0° | 120.0° |
| O50 | C49 | C51 | 120.4° | 120.0° |
| C3 | C5 | O7 | 112.4° | 109.4° |
| C5 | C3 | C35 | 113.4° | 109.4° |
| C5 | C3 | N1 | 113.4° | 109.5° |
| C5 | C3 | H1 | 106.6° | 109.4° |
| C3 | C5 | H2 | 107.0° | 109.5° |
| O7 | C5 | H2 | 108.5° | 109.5° |
| C5 | O7 | H3 | 109.5° | 114.1° |
| C35 | C3 | N1 | 108.9° | 109.5° |
| C3 | C35 | C38 | 112.0° | 109.4° |
| C35 | C3 | H1 | 106.7° | 109.5° |
| C3 | C35 | H17 | 108.8° | 109.5° |
| C3 | C35 | H18 | 108.9° | 109.5° |
| C3 | N1 | C49 | 121.8° | 120.0° |
| N1 | C3 | H1 | 107.5° | 109.5° |
| C3 | N1 | H40 | 119.1° | 120.0° |
| C45 | C47 | C38 | 120.8° | 120.0° |
| C47 | C45 | C43 | 120.2° | 120.0° |
| C47 | C45 | H22 | 119.9° | 120.0° |
| C45 | C47 | H23 | 119.6° | 120.0° |
| C47 | C38 | C35 | 120.8° | 120.0° |
| C47 | C38 | C39 | 118.1° | 120.0° |
| C38 | C47 | H23 | 119.6° | 120.0° |
| C35 | C38 | C39 | 121.0° | 120.0° |
| C38 | C35 | H17 | 108.9° | 109.4° |
| C38 | C35 | H18 | 108.8° | 109.4° |
| N1 | C49 | C51 | 118.4° | 120.0° |
| C49 | N1 | H40 | 119.1° | 120.0° |
| C49 | C51 | C57 | 122.9° | 120.9° |
| C49 | C51 | C52 | 116.9° | 120.8° |
| C45 | C43 | C41 | 119.5° | 119.9° |
| C45 | C43 | H21 | 120.3° | 120.0° |
| C43 | C45 | H22 | 119.9° | 120.0° |
| C38 | C39 | C41 | 121.0° | 120.0° |
| C38 | C39 | H19 | 119.5° | 120.0° |
| C60 | O59 | C56 | 118.1° | 117.0° |
| O59 | C60 | H26 | 109.5° | 109.5° |
| O59 | C60 | H27 | 109.5° | 109.5° |
| O59 | C60 | H28 | 109.5° | 109.5° |
| C51 | C57 | C56 | 116.9° | 119.1° |
| C57 | C51 | C52 | 119.8° | 118.3° |
| C51 | C57 | H25 | 121.6° | 120.4° |
| C57 | C56 | O59 | 121.5° | 119.6° |
| C57 | C56 | N55 | 124.2° | 120.9° |
| C56 | C57 | H25 | 121.6° | 120.5° |
| C51 | C52 | C54 | 118.3° | 119.0° |
| C51 | C52 | H24 | 120.9° | 120.5° |
| C43 | C41 | C39 | 120.3° | 120.0° |
| C43 | C41 | H20 | 119.8° | 119.9° |
| C41 | C43 | H21 | 120.2° | 120.1° |
| C41 | C39 | H19 | 119.5° | 120.0° |
| C39 | C41 | H20 | 119.9° | 120.0° |
| O59 | C56 | N55 | 114.3° | 119.5° |
| C56 | N55 | C54 | 117.9° | 121.8° |
| C52 | C54 | N55 | 122.9° | 120.8° |
| C52 | C54 | N64 | 120.9° | 119.6° |
| C54 | C52 | H24 | 120.9° | 120.5° |
| N55 | C54 | N64 | 116.2° | 119.6° |
| C54 | N64 | C66 | 124.7° | 120.0° |
| C54 | N64 | H42 | 105.6° | 120.0° |
| N64 | C66 | C69 | 110.6° | 109.5° |
| N64 | C66 | H29 | 109.2° | 109.5° |
| N64 | C66 | H30 | 109.2° | 109.5° |
| C66 | N64 | H42 | 105.6° | 120.0° |
| C66 | C69 | C72 | 112.2° | 109.5° |
| C69 | C66 | H29 | 109.2° | 109.4° |
| C69 | C66 | H30 | 109.2° | 109.5° |
| C66 | C69 | H31 | 108.8° | 109.5° |
| C66 | C69 | H32 | 108.8° | 109.5° |
| C69 | C72 | C75 | 115.1° | 109.5° |
| C72 | C69 | H31 | 108.8° | 109.5° |
| C72 | C69 | H32 | 108.7° | 109.4° |
| C69 | C72 | H33 | 108.0° | 109.5° |
| C69 | C72 | H34 | 108.0° | 109.4° |
| C75 | C72 | H33 | 108.1° | 109.5° |
| C75 | C72 | H34 | 108.1° | 109.4° |
| C72 | C75 | H35 | 109.5° | 109.5° |
| C72 | C75 | H36 | 109.5° | 109.4° |
| C72 | C75 | H37 | 109.5° | 109.5° |
| H5 | C14 | H6 | 109.5° | 109.5° |
| H5 | C14 | H7 | 109.5° | 109.5° |
| H6 | C14 | H7 | 109.5° | 109.5° |
| H8 | C22 | H9 | 109.4° | 109.5° |
| H10 | C25 | H11 | 109.5° | 109.4° |
| H12 | C28 | H13 | 109.5° | 109.5° |
| H14 | C31 | H15 | 109.5° | 109.5° |
| H14 | C31 | H16 | 109.5° | 109.5° |
| H15 | C31 | H16 | 109.5° | 109.4° |
| H17 | C35 | H18 | 109.4° | 109.5° |
| H26 | C60 | H27 | 109.5° | 109.5° |
| H26 | C60 | H28 | 109.5° | 109.4° |
| H27 | C60 | H28 | 109.5° | 109.5° |
| H29 | C66 | H30 | 109.5° | 109.5° |
| H31 | C69 | H32 | 109.5° | 109.4° |
| H33 | C72 | H34 | 109.5° | 109.5° |
| H35 | C75 | H36 | 109.5° | 109.5° |
| H35 | C75 | H37 | 109.5° | 109.5° |
| H36 | C75 | H37 | 109.5° | 109.5° |
| H38 | C9 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C28 | C25 | H12 | 120.5° | 120.0° |
| C31 | C28 | C25 | H13 | 120.6° | 120.0° |
| C31 | C28 | C25 | C22 | 73.2° | 180.0° |
| C31 | C28 | C25 | H10 | 166.5° | 60.0° |
| C31 | C28 | C25 | H11 | 47.0° | 60.0° |
| C31 | C28 | H12 | H13 | 118.3° | 120.1° |
| C28 | C31 | H14 | H15 | 120.0° | 120.1° |
| C28 | C31 | H14 | H16 | 120.0° | 120.0° |
| C28 | C31 | H15 | H16 | 120.0° | 119.9° |
| C28 | C25 | C22 | H10 | 120.3° | 120.0° |
| C28 | C25 | C22 | H11 | 120.2° | 120.0° |
| C28 | C25 | C22 | N20 | 147.0° | 180.0° |
| C28 | C25 | C22 | H8 | 92.5° | 60.0° |
| C28 | C25 | C22 | H9 | 26.6° | 60.0° |
| C28 | C25 | H10 | H11 | 119.2° | 120.0° |
| C25 | C28 | H12 | H13 | 118.3° | 119.9° |
| C25 | C28 | C31 | H14 | 180.0° | 60.0° |
| C25 | C28 | C31 | H15 | 60.0° | 60.1° |
| C25 | C28 | C31 | H16 | 60.0° | 180.0° |
| C25 | C22 | N20 | H8 | 120.4° | 120.0° |
| C25 | C22 | N20 | H9 | 120.5° | 119.9° |
| C25 | C22 | N20 | C18 | 178.2° | 180.0° |
| C25 | C22 | H8 | H9 | 118.7° | 120.0° |
| C22 | C25 | H10 | H11 | 119.3° | 120.0° |
| C22 | C25 | C28 | H12 | 47.3° | 60.0° |
| C22 | C25 | C28 | H13 | 166.3° | 60.0° |
| C25 | C22 | N20 | H41 | 1.8° | 0.0° |
| C22 | N20 | C18 | H41 | 180.0° | 180.0° |
| C22 | N20 | C18 | O19 | 1.9° | 0.0° |
| C22 | N20 | C18 | C12 | 179.6° | 180.0° |
| N20 | C22 | H8 | H9 | 118.7° | 120.0° |
| N20 | C22 | C25 | H10 | 26.8° | 60.0° |
| N20 | C22 | C25 | H11 | 92.7° | 60.0° |
| N20 | C18 | O19 | C12 | 178.5° | 180.0° |
| N20 | C18 | C12 | C14 | 104.8° | 60.0° |
| N20 | C18 | C12 | C9 | 132.2° | 180.0° |
| N20 | C18 | C12 | H4 | 13.1° | 60.0° |
| C18 | N20 | C22 | H8 | 61.4° | 60.0° |
| C18 | N20 | C22 | H9 | 57.8° | 60.1° |
| O19 | C18 | C12 | C14 | 76.7° | 120.0° |
| O19 | C18 | C12 | C9 | 46.3° | 0.0° |
| O19 | C18 | C12 | H4 | 165.4° | 120.1° |
| O19 | C18 | N20 | H41 | 178.1° | 179.9° |
| C18 | C12 | C14 | C9 | 123.1° | 120.0° |
| C18 | C12 | C14 | H4 | 117.8° | 120.0° |
| C18 | C12 | C9 | H4 | 119.2° | 120.1° |
| C18 | C12 | C9 | C5 | 81.7° | 66.6° |
| C18 | C12 | C14 | H5 | 180.0° | 176.4° |
| C18 | C12 | C14 | H6 | 60.0° | 56.4° |
| C18 | C12 | C14 | H7 | 60.0° | 63.6° |
| C18 | C12 | C9 | H38 | 38.8° | 173.5° |
| C18 | C12 | C9 | H39 | 157.8° | 53.4° |
| C12 | C18 | N20 | H41 | 0.4° | 0.0° |
| C14 | C12 | C9 | H4 | 119.2° | 120.0° |
| C14 | C12 | C9 | C5 | 156.8° | 173.4° |
| C12 | C14 | H5 | H6 | 120.0° | 120.0° |
| C12 | C14 | H5 | H7 | 120.0° | 120.0° |
| C12 | C14 | H6 | H7 | 120.0° | 120.0° |
| C14 | C12 | C9 | H38 | 82.7° | 53.5° |
| C14 | C12 | C9 | H39 | 36.3° | 66.6° |
| C12 | C9 | C5 | H38 | 120.5° | 119.9° |
| C12 | C9 | C5 | H39 | 120.5° | 120.0° |
| C12 | C9 | C5 | C3 | 146.0° | 174.6° |
| C12 | C9 | C5 | O7 | 88.6° | 65.5° |
| C12 | C9 | C5 | H2 | 28.8° | 54.6° |
| C9 | C12 | C14 | H5 | 56.9° | 56.4° |
| C9 | C12 | C14 | H6 | 63.1° | 63.6° |
| C9 | C12 | C14 | H7 | 177.0° | 176.4° |
| C12 | C9 | H38 | H39 | 118.5° | 120.0° |
| C9 | C5 | C3 | O7 | 123.6° | 120.0° |
| C9 | C5 | C3 | H2 | 117.4° | 120.0° |
| C9 | C5 | O7 | H2 | 116.6° | 120.1° |
| C9 | C5 | C3 | C35 | 174.9° | 180.0° |
| C9 | C5 | C3 | N1 | 60.2° | 60.0° |
| C9 | C5 | C3 | H1 | 57.9° | 60.0° |
| C9 | C5 | O7 | H3 | 180.0° | 59.9° |
| C5 | C9 | C12 | H4 | 37.5° | 53.5° |
| C5 | C9 | H38 | H39 | 118.6° | 120.1° |
| O50 | C49 | N1 | C3 | 3.0° | 0.0° |
| O50 | C49 | N1 | C51 | 175.4° | 180.0° |
| O50 | C49 | C51 | C57 | 36.4° | 179.7° |
| O50 | C49 | C51 | C52 | 135.7° | 0.1° |
| O50 | C49 | N1 | H40 | 177.0° | 180.0° |
| C3 | C5 | O7 | H2 | 118.1° | 120.0° |
| C5 | C3 | C35 | N1 | 127.3° | 120.0° |
| C5 | C3 | C35 | H1 | 117.0° | 120.0° |
| C5 | C3 | N1 | H1 | 117.6° | 120.0° |
| C5 | C3 | C35 | C38 | 171.9° | 175.0° |
| C5 | C3 | N1 | C49 | 102.6° | 155.0° |
| C3 | C5 | O7 | H3 | 54.7° | 60.0° |
| C5 | C3 | C35 | H17 | 51.5° | 65.1° |
| C5 | C3 | C35 | H18 | 67.7° | 55.0° |
| C3 | C5 | C9 | H38 | 25.6° | 65.5° |
| C3 | C5 | C9 | H39 | 93.5° | 54.6° |
| C5 | C3 | N1 | H40 | 77.4° | 25.1° |
| O7 | C5 | C3 | C35 | 61.5° | 60.0° |
| O7 | C5 | C3 | N1 | 63.4° | 60.0° |
| O7 | C5 | C3 | H1 | 178.5° | 180.0° |
| O7 | C5 | C9 | H38 | 150.9° | 54.4° |
| O7 | C5 | C9 | H39 | 31.9° | 174.5° |
| C35 | C3 | N1 | H1 | 115.2° | 120.0° |
| C3 | C35 | C38 | C47 | 50.4° | 90.3° |
| C3 | C35 | C38 | H17 | 120.4° | 120.0° |
| C3 | C35 | C38 | H18 | 120.4° | 120.0° |
| C35 | C3 | N1 | C49 | 130.1° | 85.0° |
| C3 | C35 | C38 | C39 | 128.2° | 90.0° |
| C35 | C3 | C5 | H2 | 57.5° | 60.0° |
| C3 | C35 | H17 | H18 | 118.9° | 120.1° |
| C35 | C3 | N1 | H40 | 49.8° | 94.9° |
| N1 | C3 | C35 | C38 | 44.6° | 65.0° |
| C3 | N1 | C49 | H40 | 180.0° | 180.0° |
| C3 | N1 | C49 | C51 | 172.3° | 180.0° |
| N1 | C3 | C5 | H2 | 177.7° | 180.0° |
| N1 | C3 | C35 | H17 | 75.8° | 54.9° |
| N1 | C3 | C35 | H18 | 165.0° | 175.0° |
| C45 | C47 | C38 | H23 | 180.0° | 179.5° |
| C45 | C47 | C38 | C35 | 179.4° | 179.8° |
| C47 | C45 | C43 | H22 | 180.0° | 179.8° |
| C45 | C47 | C38 | C39 | 0.8° | 0.5° |
| C47 | C45 | C43 | C41 | 0.2° | 0.3° |
| C47 | C45 | C43 | H21 | 179.8° | 179.8° |
| C47 | C38 | C35 | C39 | 178.6° | 179.7° |
| C38 | C47 | C45 | C43 | 0.6° | 0.5° |
| C47 | C38 | C39 | C41 | 0.6° | 0.3° |
| C47 | C38 | C35 | H17 | 170.8° | 149.8° |
| C47 | C38 | C35 | H18 | 70.0° | 29.8° |
| C47 | C38 | C39 | H19 | 179.4° | 179.7° |
| C38 | C47 | C45 | H22 | 179.4° | 179.7° |
| C35 | C38 | C39 | C41 | 179.2° | 180.0° |
| C38 | C35 | C3 | H1 | 71.1° | 55.0° |
| C38 | C35 | H17 | H18 | 118.8° | 119.9° |
| C35 | C38 | C39 | H19 | 0.8° | 0.0° |
| C35 | C38 | C47 | H23 | 0.6° | 0.2° |
| N1 | C49 | C51 | C57 | 148.2° | 0.3° |
| N1 | C49 | C51 | C52 | 39.7° | 180.0° |
| C49 | N1 | C3 | H1 | 14.9° | 35.0° |
| C49 | C51 | C57 | C52 | 171.9° | 179.7° |
| C49 | C51 | C57 | C56 | 176.1° | 179.9° |
| C49 | C51 | C52 | C54 | 176.4° | 180.0° |
| C49 | C51 | C52 | H24 | 3.6° | 0.1° |
| C49 | C51 | C57 | H25 | 3.9° | 0.0° |
| C51 | C49 | N1 | H40 | 7.6° | 0.0° |
| C45 | C43 | C41 | H21 | 180.0° | 180.0° |
| C45 | C43 | C41 | C39 | 0.1° | 0.0° |
| C45 | C43 | C41 | H20 | 180.0° | 180.0° |
| C43 | C45 | C47 | H23 | 179.4° | 180.0° |
| C38 | C39 | C41 | C43 | 0.1° | 0.1° |
| C38 | C39 | C41 | H19 | 180.0° | 180.0° |
| C39 | C38 | C35 | H17 | 7.8° | 30.0° |
| C39 | C38 | C35 | H18 | 111.4° | 150.0° |
| C38 | C39 | C41 | H20 | 179.8° | 180.0° |
| C39 | C38 | C47 | H23 | 179.2° | 180.0° |
| C60 | O59 | C56 | C57 | 10.8° | 179.7° |
| C60 | O59 | C56 | N55 | 169.2° | 0.1° |
| O59 | C60 | H26 | H27 | 120.0° | 120.1° |
| O59 | C60 | H26 | H28 | 120.0° | 119.9° |
| O59 | C60 | H27 | H28 | 120.0° | 120.0° |
| C51 | C57 | C56 | H25 | 180.0° | 180.0° |
| C51 | C57 | C56 | O59 | 177.8° | 179.8° |
| C51 | C57 | C56 | N55 | 2.2° | 0.0° |
| C57 | C51 | C52 | C54 | 4.1° | 0.3° |
| C57 | C51 | C52 | H24 | 175.9° | 179.8° |
| C56 | C57 | C51 | C52 | 4.2° | 0.3° |
| C57 | C56 | O59 | N55 | 180.0° | 179.8° |
| C57 | C56 | N55 | C54 | 0.1° | 0.2° |
| C51 | C52 | C54 | H24 | 180.0° | 179.9° |
| C51 | C52 | C54 | N55 | 1.8° | 0.1° |
| C51 | C52 | C54 | N64 | 178.2° | 180.0° |
| C52 | C51 | C57 | H25 | 175.8° | 179.7° |
| C43 | C41 | C39 | H20 | 180.0° | 179.9° |
| C43 | C41 | C39 | H19 | 179.8° | 180.0° |
| C41 | C43 | C45 | H22 | 179.8° | 179.9° |
| C39 | C41 | C43 | H21 | 179.9° | 180.0° |
| O59 | C56 | N55 | C54 | 180.0° | 180.0° |
| O59 | C56 | C57 | H25 | 2.2° | 0.2° |
| C56 | O59 | C60 | H26 | 180.0° | 180.0° |
| C56 | O59 | C60 | H27 | 60.0° | 60.0° |
| C56 | O59 | C60 | H28 | 60.0° | 60.1° |
| C56 | N55 | C54 | C52 | 0.3° | 0.2° |
| C56 | N55 | C54 | N64 | 179.7° | 179.8° |
| N55 | C56 | C57 | H25 | 177.8° | 180.0° |
| C52 | C54 | N55 | N64 | 180.0° | 180.0° |
| C52 | C54 | N64 | C66 | 14.4° | 0.0° |
| C52 | C54 | N64 | H42 | 136.5° | 180.0° |
| N55 | C54 | N64 | C66 | 165.6° | 180.0° |
| N55 | C54 | C52 | H24 | 178.2° | 180.0° |
| N55 | C54 | N64 | H42 | 43.5° | 0.0° |
| C54 | N64 | C66 | H42 | 122.1° | 180.0° |
| C54 | N64 | C66 | C69 | 125.6° | 180.0° |
| N64 | C54 | C52 | H24 | 1.8° | 0.0° |
| C54 | N64 | C66 | H29 | 5.4° | 60.0° |
| C54 | N64 | C66 | H30 | 114.3° | 60.0° |
| N64 | C66 | C69 | H29 | 120.2° | 120.1° |
| N64 | C66 | C69 | H30 | 120.2° | 120.0° |
| N64 | C66 | C69 | C72 | 82.3° | 180.0° |
| N64 | C66 | H29 | H30 | 119.5° | 120.0° |
| N64 | C66 | C69 | H31 | 157.3° | 60.0° |
| N64 | C66 | C69 | H32 | 38.1° | 60.0° |
| C66 | C69 | C72 | H31 | 120.4° | 120.1° |
| C66 | C69 | C72 | H32 | 120.4° | 120.0° |
| C66 | C69 | C72 | C75 | 155.8° | 180.0° |
| C69 | C66 | H29 | H30 | 119.5° | 120.0° |
| C66 | C69 | H31 | H32 | 118.8° | 120.0° |
| C66 | C69 | C72 | H33 | 35.0° | 60.0° |
| C66 | C69 | C72 | H34 | 83.3° | 60.0° |
| C69 | C66 | N64 | H42 | 112.3° | 0.0° |
| C69 | C72 | C75 | H33 | 120.8° | 120.0° |
| C69 | C72 | C75 | H34 | 120.8° | 119.9° |
| C72 | C69 | C66 | H29 | 37.9° | 60.0° |
| C72 | C69 | C66 | H30 | 157.6° | 60.0° |
| C72 | C69 | H31 | H32 | 118.7° | 119.9° |
| C69 | C72 | H33 | H34 | 117.4° | 120.0° |
| C69 | C72 | C75 | H35 | 180.0° | 60.0° |
| C69 | C72 | C75 | H36 | 60.0° | 60.1° |
| C69 | C72 | C75 | H37 | 60.0° | 180.0° |
| C75 | C72 | C69 | H31 | 83.8° | 59.9° |
| C75 | C72 | C69 | H32 | 35.4° | 60.0° |
| C75 | C72 | H33 | H34 | 117.5° | 120.0° |
| C72 | C75 | H35 | H36 | 120.0° | 120.0° |
| C72 | C75 | H35 | H37 | 120.0° | 120.0° |
| C72 | C75 | H36 | H37 | 120.0° | 120.0° |
| H1 | C3 | C5 | H2 | 59.5° | 60.0° |
| H1 | C3 | C35 | H17 | 168.5° | 175.0° |
| H1 | C3 | C35 | H18 | 49.2° | 65.0° |
| H1 | C3 | N1 | H40 | 165.0° | 145.0° |
| H2 | C5 | O7 | H3 | 63.4° | 180.0° |
| H2 | C5 | C9 | H38 | 91.7° | 174.5° |
| H2 | C5 | C9 | H39 | 149.2° | 65.4° |
| H4 | C12 | C14 | H5 | 62.2° | 63.6° |
| H4 | C12 | C14 | H6 | 177.8° | 176.4° |
| H4 | C12 | C14 | H7 | 57.9° | 56.4° |
| H4 | C12 | C9 | H38 | 158.0° | 66.5° |
| H4 | C12 | C9 | H39 | 82.9° | 173.5° |
| H5 | C14 | H6 | H7 | 120.0° | 120.0° |
| H8 | C22 | C25 | H10 | 147.2° | 60.1° |
| H8 | C22 | C25 | H11 | 27.7° | 180.0° |
| H8 | C22 | N20 | H41 | 118.6° | 120.0° |
| H9 | C22 | C25 | H10 | 93.7° | 180.0° |
| H9 | C22 | C25 | H11 | 146.8° | 60.0° |
| H9 | C22 | N20 | H41 | 122.3° | 119.9° |
| H10 | C25 | C28 | H12 | 72.9° | 180.0° |
| H10 | C25 | C28 | H13 | 46.0° | 60.0° |
| H11 | C25 | C28 | H12 | 167.6° | 60.0° |
| H11 | C25 | C28 | H13 | 73.5° | 180.0° |
| H12 | C28 | C31 | H14 | 59.5° | 180.0° |
| H12 | C28 | C31 | H15 | 60.5° | 59.9° |
| H12 | C28 | C31 | H16 | 179.5° | 60.0° |
| H13 | C28 | C31 | H14 | 59.4° | 59.9° |
| H13 | C28 | C31 | H15 | 179.4° | 180.0° |
| H13 | C28 | C31 | H16 | 60.6° | 60.1° |
| H14 | C31 | H15 | H16 | 120.0° | 120.0° |
| H19 | C39 | C41 | H20 | 0.2° | 0.1° |
| H20 | C41 | C43 | H21 | 0.0° | 0.1° |
| H21 | C43 | C45 | H22 | 0.2° | 0.0° |
| H22 | C45 | C47 | H23 | 0.6° | 0.2° |
| H26 | C60 | H27 | H28 | 120.0° | 119.9° |
| H29 | C66 | C69 | H31 | 82.5° | 60.1° |
| H29 | C66 | C69 | H32 | 158.3° | 179.9° |
| H29 | C66 | N64 | H42 | 127.5° | 120.0° |
| H30 | C66 | C69 | H31 | 37.1° | 180.0° |
| H30 | C66 | C69 | H32 | 82.0° | 60.0° |
| H30 | C66 | N64 | H42 | 7.8° | 120.0° |
| H31 | C69 | C72 | H33 | 155.4° | 179.9° |
| H31 | C69 | C72 | H34 | 37.1° | 60.0° |
| H32 | C69 | C72 | H33 | 85.4° | 60.0° |
| H32 | C69 | C72 | H34 | 156.2° | 180.0° |
| H33 | C72 | C75 | H35 | 59.2° | 180.0° |
| H33 | C72 | C75 | H36 | 179.2° | 60.0° |
| H33 | C72 | C75 | H37 | 60.8° | 60.0° |
| H34 | C72 | C75 | H35 | 59.2° | 59.9° |
| H34 | C72 | C75 | H36 | 60.8° | 180.0° |
| H34 | C72 | C75 | H37 | 179.2° | 60.1° |
| H35 | C75 | H36 | H37 | 120.0° | 120.0° |
