E6M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C78 | C80 | sing | 1.53Å | 1.52Å | |
| C78 | C84 | sing | 1.53Å | 1.53Å | |
| C78 | C71 | sing | 1.51Å | 1.52Å | |
| C72 | C71 | doub | 1.38Å | 1.38Å | Aromatic |
| C72 | C74 | sing | 1.38Å | 1.39Å | Aromatic |
| C71 | C69 | sing | 1.38Å | 1.39Å | Aromatic |
| C74 | C76 | doub | 1.38Å | 1.38Å | Aromatic |
| C69 | C68 | doub | 1.38Å | 1.39Å | Aromatic |
| C76 | C68 | sing | 1.38Å | 1.40Å | Aromatic |
| C68 | C65 | sing | 1.51Å | 1.51Å | |
| C65 | N63 | sing | 1.47Å | 1.47Å | |
| N63 | C60 | sing | 1.47Å | 1.47Å | |
| C60 | C56 | sing | 1.53Å | 1.54Å | |
| O58 | C56 | sing | 1.43Å | 1.43Å | |
| O51 | C50 | doub | 1.21Å | 1.23Å | |
| C56 | C3 | sing | 1.53Å | 1.53Å | |
| C52 | C8 | sing | 1.52Å | 1.53Å | |
| C3 | C5 | sing | 1.52Å | 1.52Å | |
| C3 | N1 | sing | 1.47Å | 1.45Å | |
| C50 | N1 | sing | 1.36Å | 1.34Å | |
| C50 | C36 | sing | 1.48Å | 1.50Å | |
| C5 | C8 | sing | 1.52Å | 1.53Å | |
| C37 | C36 | doub | 1.39Å | 1.40Å | Aromatic |
| C37 | C39 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C36 | C34 | sing | 1.40Å | 1.40Å | Aromatic |
| C42 | O45 | sing | 1.43Å | 1.45Å | |
| C42 | C39 | sing | 1.51Å | 1.53Å | |
| O45 | C46 | sing | 1.43Å | 1.45Å | |
| C39 | C40 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C16 | sing | 1.53Å | 1.52Å | |
| C34 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C40 | C33 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | C19 | sing | 1.53Å | 1.54Å | |
| C33 | N31 | sing | 1.41Å | 1.39Å | |
| C19 | C22 | sing | 1.53Å | 1.53Å | |
| N31 | C28 | sing | 1.48Å | 1.44Å | |
| C25 | C28 | sing | 1.53Å | 1.56Å | |
| C25 | C22 | sing | 1.53Å | 1.52Å | |
| C3 | H1 | sing | 1.11Å | 1.10Å | |
| C5 | H2 | sing | 1.10Å | 1.10Å | |
| C5 | H3 | sing | 1.10Å | 1.10Å | |
| C8 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.08Å | 1.10Å | |
| C13 | H8 | sing | 1.10Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C25 | H15 | sing | 1.09Å | 1.10Å | |
| C25 | H16 | sing | 1.09Å | 1.10Å | |
| C28 | H17 | sing | 1.10Å | 1.10Å | |
| C28 | H18 | sing | 1.09Å | 1.10Å | |
| C34 | H19 | sing | 1.08Å | 1.08Å | |
| C37 | H20 | sing | 1.08Å | 1.08Å | |
| C40 | H21 | sing | 1.08Å | 1.08Å | |
| C42 | H22 | sing | 1.09Å | 1.10Å | |
| C42 | H23 | sing | 1.09Å | 1.10Å | |
| C46 | H24 | sing | 1.09Å | 1.10Å | |
| C46 | H25 | sing | 1.09Å | 1.10Å | |
| C46 | H26 | sing | 1.09Å | 1.10Å | |
| C52 | H27 | sing | 1.09Å | 1.10Å | |
| C52 | H28 | sing | 1.09Å | 1.10Å | |
| C52 | H29 | sing | 1.09Å | 1.10Å | |
| C56 | H30 | sing | 1.09Å | 1.10Å | |
| C60 | H31 | sing | 1.09Å | 1.10Å | |
| C60 | H32 | sing | 1.09Å | 1.10Å | |
| C65 | H33 | sing | 1.09Å | 1.10Å | |
| C65 | H34 | sing | 1.09Å | 1.10Å | |
| C69 | H35 | sing | 1.08Å | 1.08Å | |
| C72 | H36 | sing | 1.08Å | 1.08Å | |
| C74 | H37 | sing | 1.08Å | 1.08Å | |
| C76 | H38 | sing | 1.08Å | 1.08Å | |
| C78 | H39 | sing | 1.09Å | 1.10Å | |
| C80 | H40 | sing | 1.09Å | 1.10Å | |
| C80 | H41 | sing | 1.09Å | 1.10Å | |
| C80 | H42 | sing | 1.09Å | 1.10Å | |
| C84 | H43 | sing | 1.09Å | 1.10Å | |
| C84 | H44 | sing | 1.09Å | 1.10Å | |
| C84 | H45 | sing | 1.09Å | 1.10Å | |
| N1 | H46 | sing | 0.98Å | 1.00Å | |
| N31 | H47 | sing | 0.98Å | 1.00Å | |
| N63 | H48 | sing | 1.01Å | 1.00Å | |
| O58 | H50 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C80 | C78 | C84 | 110.4° | 109.5° |
| C80 | C78 | C71 | 112.4° | 109.4° |
| C80 | C78 | H39 | 107.3° | 109.5° |
| C78 | C80 | H40 | 109.5° | 109.4° |
| C78 | C80 | H41 | 109.5° | 109.5° |
| C78 | C80 | H42 | 109.5° | 109.5° |
| C84 | C78 | C71 | 111.7° | 109.4° |
| C84 | C78 | H39 | 107.3° | 109.5° |
| C78 | C84 | H43 | 109.5° | 109.4° |
| C78 | C84 | H44 | 109.5° | 109.4° |
| C78 | C84 | H45 | 109.5° | 109.5° |
| C78 | C71 | C72 | 120.3° | 120.0° |
| C78 | C71 | C69 | 121.0° | 120.0° |
| C71 | C78 | H39 | 107.4° | 109.5° |
| C71 | C72 | C74 | 120.6° | 119.9° |
| C72 | C71 | C69 | 118.7° | 120.1° |
| C71 | C72 | H36 | 119.7° | 120.1° |
| C72 | C74 | C76 | 120.2° | 120.0° |
| C74 | C72 | H36 | 119.7° | 120.0° |
| C72 | C74 | H37 | 119.9° | 120.0° |
| C71 | C69 | C68 | 121.7° | 119.9° |
| C71 | C69 | H35 | 119.1° | 120.0° |
| C74 | C76 | C68 | 120.4° | 119.9° |
| C76 | C74 | H37 | 119.8° | 120.0° |
| C74 | C76 | H38 | 119.8° | 120.0° |
| C69 | C68 | C76 | 118.3° | 120.1° |
| C69 | C68 | C65 | 120.7° | 120.0° |
| C68 | C69 | H35 | 119.2° | 120.0° |
| C76 | C68 | C65 | 120.9° | 119.9° |
| C68 | C76 | H38 | 119.8° | 120.0° |
| C68 | C65 | N63 | 112.8° | 109.5° |
| C68 | C65 | H33 | 108.6° | 109.5° |
| C68 | C65 | H34 | 108.6° | 109.5° |
| C65 | N63 | C60 | 112.9° | 111.0° |
| N63 | C65 | H33 | 108.6° | 109.5° |
| N63 | C65 | H34 | 108.7° | 109.5° |
| C65 | N63 | H48 | 108.6° | 111.0° |
| N63 | C60 | C56 | 107.6° | 109.5° |
| N63 | C60 | H31 | 109.9° | 109.5° |
| N63 | C60 | H32 | 109.9° | 109.4° |
| C60 | N63 | H48 | 108.6° | 111.0° |
| C60 | C56 | O58 | 109.0° | 109.5° |
| C60 | C56 | C3 | 113.4° | 109.5° |
| C60 | C56 | H30 | 108.2° | 109.5° |
| C56 | C60 | H31 | 109.9° | 109.5° |
| C56 | C60 | H32 | 109.9° | 109.5° |
| O58 | C56 | C3 | 108.6° | 109.5° |
| O58 | C56 | H30 | 109.5° | 109.4° |
| C56 | O58 | H50 | 109.5° | 114.0° |
| O51 | C50 | N1 | 121.9° | 122.5° |
| O51 | C50 | C36 | 121.3° | 119.9° |
| C56 | C3 | C5 | 109.9° | 111.4° |
| C56 | C3 | N1 | 112.4° | 112.5° |
| C56 | C3 | H1 | 108.2° | 107.6° |
| C3 | C56 | H30 | 108.2° | 109.5° |
| C52 | C8 | C5 | 110.6° | 112.0° |
| C52 | C8 | C10 | 111.5° | 109.3° |
| C52 | C8 | H4 | 107.7° | 109.4° |
| C8 | C52 | H27 | 109.5° | 109.5° |
| C8 | C52 | H28 | 109.5° | 109.4° |
| C8 | C52 | H29 | 109.5° | 109.5° |
| C5 | C3 | N1 | 108.9° | 109.6° |
| C3 | C5 | C8 | 112.5° | 114.8° |
| C5 | C3 | H1 | 108.3° | 107.8° |
| C3 | C5 | H2 | 108.7° | 108.6° |
| C3 | C5 | H3 | 108.7° | 108.7° |
| C3 | N1 | C50 | 122.8° | 120.9° |
| N1 | C3 | H1 | 109.2° | 107.9° |
| C3 | N1 | H46 | 118.6° | 119.9° |
| N1 | C50 | C36 | 116.8° | 117.6° |
| C50 | N1 | H46 | 118.6° | 119.1° |
| C50 | C36 | C37 | 121.4° | 120.7° |
| C50 | C36 | C34 | 118.9° | 119.5° |
| C5 | C8 | C10 | 111.4° | 108.3° |
| C8 | C5 | H2 | 108.7° | 108.6° |
| C8 | C5 | H3 | 108.7° | 108.8° |
| C5 | C8 | H4 | 107.7° | 109.5° |
| C36 | C37 | C39 | 120.4° | 119.8° |
| C37 | C36 | C34 | 119.7° | 119.8° |
| C36 | C37 | H20 | 119.8° | 120.3° |
| C37 | C39 | C42 | 120.8° | 119.8° |
| C37 | C39 | C40 | 118.9° | 120.4° |
| C39 | C37 | H20 | 119.8° | 119.9° |
| C8 | C10 | C13 | 115.3° | 112.3° |
| C10 | C8 | H4 | 107.7° | 108.2° |
| C8 | C10 | H5 | 108.0° | 108.7° |
| C8 | C10 | H6 | 108.0° | 108.7° |
| C36 | C34 | C33 | 120.4° | 120.2° |
| C36 | C34 | H19 | 119.8° | 119.2° |
| O45 | C42 | C39 | 111.5° | 109.5° |
| C42 | O45 | C46 | 113.6° | 114.0° |
| O45 | C42 | H22 | 109.0° | 109.5° |
| O45 | C42 | H23 | 109.0° | 109.5° |
| C42 | C39 | C40 | 120.3° | 119.8° |
| C39 | C42 | H22 | 109.0° | 109.5° |
| C39 | C42 | H23 | 109.0° | 109.5° |
| O45 | C46 | H24 | 109.5° | 109.5° |
| O45 | C46 | H25 | 109.5° | 109.4° |
| O45 | C46 | H26 | 109.5° | 109.5° |
| C39 | C40 | C33 | 121.1° | 120.3° |
| C39 | C40 | H21 | 119.4° | 120.1° |
| C10 | C13 | C16 | 114.5° | 110.1° |
| C13 | C10 | H5 | 108.0° | 109.4° |
| C13 | C10 | H6 | 108.0° | 109.3° |
| C10 | C13 | H7 | 108.2° | 112.2° |
| C10 | C13 | H8 | 108.2° | 108.1° |
| C13 | C16 | C19 | 114.6° | 110.0° |
| C16 | C13 | H7 | 108.2° | 111.0° |
| C16 | C13 | H8 | 108.2° | 107.8° |
| C13 | C16 | H9 | 108.2° | 109.3° |
| C13 | C16 | H10 | 108.2° | 109.7° |
| C34 | C33 | C40 | 119.4° | 119.6° |
| C34 | C33 | N31 | 120.7° | 121.5° |
| C33 | C34 | H19 | 119.8° | 120.6° |
| C40 | C33 | N31 | 119.9° | 118.9° |
| C33 | C40 | H21 | 119.5° | 119.6° |
| C16 | C19 | C22 | 112.9° | 109.1° |
| C19 | C16 | H9 | 108.2° | 109.2° |
| C19 | C16 | H10 | 108.2° | 109.6° |
| C16 | C19 | H11 | 108.6° | 110.3° |
| C16 | C19 | H12 | 108.6° | 109.3° |
| C33 | N31 | C28 | 123.8° | 117.0° |
| C33 | N31 | H47 | 105.8° | 121.3° |
| C19 | C22 | C25 | 112.7° | 109.2° |
| C22 | C19 | H11 | 108.6° | 110.0° |
| C22 | C19 | H12 | 108.6° | 109.1° |
| C19 | C22 | H13 | 108.6° | 109.4° |
| C19 | C22 | H14 | 108.7° | 109.7° |
| N31 | C28 | C25 | 112.3° | 110.2° |
| N31 | C28 | H17 | 108.7° | 108.8° |
| N31 | C28 | H18 | 108.8° | 111.0° |
| C28 | N31 | H47 | 105.8° | 121.7° |
| C28 | C25 | C22 | 113.2° | 109.5° |
| C28 | C25 | H15 | 108.5° | 109.7° |
| C28 | C25 | H16 | 108.5° | 109.2° |
| C25 | C28 | H17 | 108.8° | 108.5° |
| C25 | C28 | H18 | 108.7° | 110.0° |
| C25 | C22 | H13 | 108.7° | 109.5° |
| C25 | C22 | H14 | 108.7° | 109.6° |
| C22 | C25 | H15 | 108.5° | 110.0° |
| C22 | C25 | H16 | 108.5° | 109.2° |
| H2 | C5 | H3 | 109.5° | 107.1° |
| H5 | C10 | H6 | 109.5° | 108.3° |
| H7 | C13 | H8 | 109.5° | 107.4° |
| H9 | C16 | H10 | 109.5° | 109.0° |
| H11 | C19 | H12 | 109.5° | 109.0° |
| H13 | C22 | H14 | 109.4° | 109.3° |
| H15 | C25 | H16 | 109.5° | 109.2° |
| H17 | C28 | H18 | 109.4° | 108.2° |
| H22 | C42 | H23 | 109.5° | 109.4° |
| H24 | C46 | H25 | 109.5° | 109.5° |
| H24 | C46 | H26 | 109.5° | 109.5° |
| H25 | C46 | H26 | 109.5° | 109.5° |
| H27 | C52 | H28 | 109.5° | 109.5° |
| H27 | C52 | H29 | 109.5° | 109.5° |
| H28 | C52 | H29 | 109.5° | 109.4° |
| H31 | C60 | H32 | 109.5° | 109.5° |
| H33 | C65 | H34 | 109.5° | 109.4° |
| H40 | C80 | H41 | 109.4° | 109.5° |
| H40 | C80 | H42 | 109.4° | 109.5° |
| H41 | C80 | H42 | 109.5° | 109.5° |
| H43 | C84 | H44 | 109.5° | 109.4° |
| H43 | C84 | H45 | 109.5° | 109.5° |
| H44 | C84 | H45 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C80 | C78 | C84 | C71 | 125.8° | 120.0° |
| C80 | C78 | C84 | H39 | 116.7° | 120.1° |
| C80 | C78 | C71 | H39 | 117.8° | 120.0° |
| C80 | C78 | C71 | C72 | 84.3° | 60.0° |
| C80 | C78 | C71 | C69 | 96.8° | 120.0° |
| C78 | C80 | H40 | H41 | 120.0° | 120.0° |
| C78 | C80 | H40 | H42 | 120.0° | 120.0° |
| C78 | C80 | H41 | H42 | 120.0° | 120.0° |
| C80 | C78 | C84 | H43 | 180.0° | 180.0° |
| C80 | C78 | C84 | H44 | 60.0° | 60.0° |
| C80 | C78 | C84 | H45 | 60.0° | 59.9° |
| C84 | C78 | C71 | H39 | 117.4° | 120.0° |
| C84 | C78 | C71 | C72 | 151.0° | 60.0° |
| C84 | C78 | C71 | C69 | 27.9° | 120.0° |
| C84 | C78 | C80 | H40 | 180.0° | 60.0° |
| C84 | C78 | C80 | H41 | 60.0° | 180.0° |
| C84 | C78 | C80 | H42 | 60.0° | 59.9° |
| C78 | C84 | H43 | H44 | 120.0° | 119.9° |
| C78 | C84 | H43 | H45 | 120.0° | 120.1° |
| C78 | C84 | H44 | H45 | 120.0° | 120.0° |
| C78 | C71 | C72 | C69 | 178.9° | 180.0° |
| C78 | C71 | C72 | C74 | 179.5° | 180.0° |
| C78 | C71 | C69 | C68 | 179.5° | 180.0° |
| C78 | C71 | C69 | H35 | 0.5° | 0.0° |
| C78 | C71 | C72 | H36 | 0.5° | 0.1° |
| C71 | C78 | C80 | H40 | 54.6° | 180.0° |
| C71 | C78 | C80 | H41 | 65.4° | 60.0° |
| C71 | C78 | C80 | H42 | 174.6° | 60.0° |
| C71 | C78 | C84 | H43 | 54.2° | 60.1° |
| C71 | C78 | C84 | H44 | 174.2° | 180.0° |
| C71 | C78 | C84 | H45 | 65.8° | 60.0° |
| C71 | C72 | C74 | H36 | 180.0° | 179.9° |
| C71 | C72 | C74 | C76 | 0.2° | 0.3° |
| C72 | C71 | C69 | C68 | 0.6° | 0.1° |
| C72 | C71 | C69 | H35 | 179.5° | 180.0° |
| C71 | C72 | C74 | H37 | 179.9° | 180.0° |
| C72 | C71 | C78 | H39 | 33.6° | 180.0° |
| C74 | C72 | C71 | C69 | 0.6° | 0.1° |
| C72 | C74 | C76 | H37 | 180.0° | 179.7° |
| C72 | C74 | C76 | C68 | 0.3° | 0.5° |
| C72 | C74 | C76 | H38 | 179.7° | 179.9° |
| C71 | C69 | C68 | H35 | 180.0° | 179.9° |
| C71 | C69 | C68 | C76 | 0.2° | 0.3° |
| C71 | C69 | C68 | C65 | 179.2° | 180.0° |
| C69 | C71 | C72 | H36 | 179.5° | 180.0° |
| C69 | C71 | C78 | H39 | 145.3° | 0.0° |
| C74 | C76 | C68 | C69 | 0.3° | 0.5° |
| C74 | C76 | C68 | H38 | 180.0° | 179.6° |
| C74 | C76 | C68 | C65 | 179.7° | 179.8° |
| C76 | C74 | C72 | H36 | 179.9° | 179.8° |
| C69 | C68 | C76 | C65 | 179.4° | 179.7° |
| C69 | C68 | C65 | N63 | 66.7° | 90.0° |
| C69 | C68 | C65 | H33 | 172.9° | 150.0° |
| C69 | C68 | C65 | H34 | 53.9° | 30.0° |
| C69 | C68 | C76 | H38 | 179.7° | 179.9° |
| C76 | C68 | C65 | N63 | 112.7° | 90.3° |
| C76 | C68 | C65 | H33 | 7.8° | 29.8° |
| C76 | C68 | C65 | H34 | 126.8° | 149.8° |
| C76 | C68 | C69 | H35 | 179.9° | 179.8° |
| C68 | C76 | C74 | H37 | 179.7° | 179.8° |
| C68 | C65 | N63 | H33 | 120.5° | 120.0° |
| C68 | C65 | N63 | H34 | 120.5° | 120.0° |
| C68 | C65 | N63 | C60 | 63.7° | 180.0° |
| C68 | C65 | H33 | H34 | 118.5° | 120.0° |
| C65 | C68 | C69 | H35 | 0.7° | 0.0° |
| C65 | C68 | C76 | H38 | 0.3° | 0.2° |
| C68 | C65 | N63 | H48 | 175.8° | 56.0° |
| C65 | N63 | C60 | H48 | 120.5° | 124.0° |
| C65 | N63 | C60 | C56 | 164.7° | 180.0° |
| C65 | N63 | C60 | H31 | 45.1° | 60.0° |
| C65 | N63 | C60 | H32 | 75.5° | 60.0° |
| N63 | C65 | H33 | H34 | 118.5° | 120.0° |
| N63 | C60 | C56 | H31 | 119.7° | 120.0° |
| N63 | C60 | C56 | H32 | 119.7° | 119.9° |
| N63 | C60 | C56 | O58 | 50.5° | 60.4° |
| N63 | C60 | C56 | C3 | 171.6° | 179.6° |
| N63 | C60 | C56 | H30 | 68.5° | 59.6° |
| N63 | C60 | H31 | H32 | 120.9° | 119.9° |
| C60 | N63 | C65 | H33 | 56.8° | 60.0° |
| C60 | N63 | C65 | H34 | 175.8° | 60.0° |
| C60 | C56 | O58 | C3 | 124.0° | 120.0° |
| C60 | C56 | O58 | H30 | 118.1° | 120.0° |
| C60 | C56 | C3 | H30 | 119.9° | 120.0° |
| C60 | C56 | C3 | C5 | 173.7° | 62.6° |
| C60 | C56 | C3 | N1 | 64.9° | 174.0° |
| C60 | C56 | C3 | H1 | 55.7° | 55.3° |
| C56 | C60 | H31 | H32 | 120.8° | 120.0° |
| C56 | C60 | N63 | H48 | 74.7° | 56.0° |
| C60 | C56 | O58 | H50 | 180.0° | 36.4° |
| O58 | C56 | C3 | H30 | 118.7° | 119.9° |
| O58 | C56 | C3 | C5 | 52.3° | 57.5° |
| O58 | C56 | C3 | N1 | 173.7° | 66.0° |
| O58 | C56 | C3 | H1 | 65.7° | 175.4° |
| O58 | C56 | C60 | H31 | 69.2° | 179.6° |
| O58 | C56 | C60 | H32 | 170.2° | 59.6° |
| O51 | C50 | N1 | C3 | 3.1° | 24.5° |
| O51 | C50 | N1 | C36 | 179.9° | 178.3° |
| O51 | C50 | C36 | C37 | 23.5° | 2.9° |
| O51 | C50 | C36 | C34 | 155.0° | 176.5° |
| O51 | C50 | N1 | H46 | 176.9° | 153.0° |
| C56 | C3 | C5 | N1 | 123.5° | 125.1° |
| C56 | C3 | C5 | H1 | 118.0° | 117.8° |
| C56 | C3 | N1 | H1 | 120.0° | 118.5° |
| C56 | C3 | N1 | C50 | 109.8° | 42.6° |
| C56 | C3 | C5 | C8 | 170.3° | 49.8° |
| C56 | C3 | C5 | H2 | 49.8° | 72.0° |
| C56 | C3 | C5 | H3 | 69.3° | 171.8° |
| C3 | C56 | C60 | H31 | 51.9° | 59.6° |
| C3 | C56 | C60 | H32 | 68.7° | 60.5° |
| C56 | C3 | N1 | H46 | 70.2° | 139.9° |
| C3 | C56 | O58 | H50 | 56.0° | 83.7° |
| C52 | C8 | C5 | C3 | 77.7° | 42.1° |
| C52 | C8 | C5 | C10 | 124.6° | 120.6° |
| C52 | C8 | C5 | H4 | 117.4° | 121.6° |
| C52 | C8 | C10 | H4 | 118.0° | 119.1° |
| C52 | C8 | C10 | C13 | 54.5° | 40.9° |
| C52 | C8 | C5 | H2 | 161.8° | 163.8° |
| C52 | C8 | C5 | H3 | 42.7° | 80.0° |
| C52 | C8 | C10 | H5 | 175.4° | 162.1° |
| C52 | C8 | C10 | H6 | 66.3° | 80.2° |
| C8 | C52 | H27 | H28 | 120.0° | 120.0° |
| C8 | C52 | H27 | H29 | 120.0° | 120.0° |
| C8 | C52 | H28 | H29 | 120.0° | 120.0° |
| C5 | C3 | N1 | H1 | 118.0° | 117.1° |
| C5 | C3 | N1 | C50 | 128.2° | 167.0° |
| C3 | C5 | C8 | H2 | 120.5° | 121.7° |
| C3 | C5 | C8 | H3 | 120.4° | 122.0° |
| C3 | C5 | C8 | C10 | 157.6° | 162.7° |
| C3 | C5 | H2 | H3 | 118.6° | 117.2° |
| C3 | C5 | C8 | H4 | 39.7° | 79.5° |
| C5 | C3 | C56 | H30 | 66.4° | 177.4° |
| C5 | C3 | N1 | H46 | 51.8° | 15.5° |
| C3 | N1 | C50 | H46 | 180.0° | 177.5° |
| C3 | N1 | C50 | C36 | 177.0° | 157.2° |
| N1 | C3 | C5 | C8 | 46.8° | 75.3° |
| N1 | C3 | C5 | H2 | 73.6° | 162.9° |
| N1 | C3 | C5 | H3 | 167.3° | 46.7° |
| N1 | C3 | C56 | H30 | 55.0° | 54.0° |
| N1 | C50 | C36 | C37 | 156.4° | 175.5° |
| N1 | C50 | C36 | C34 | 25.1° | 5.2° |
| C50 | N1 | C3 | H1 | 10.2° | 75.9° |
| C50 | C36 | C37 | C34 | 178.5° | 179.3° |
| C50 | C36 | C37 | C39 | 180.0° | 178.9° |
| C50 | C36 | C34 | C33 | 179.7° | 178.2° |
| C50 | C36 | C34 | H19 | 0.3° | 1.5° |
| C50 | C36 | C37 | H20 | 0.0° | 1.2° |
| C36 | C50 | N1 | H46 | 3.0° | 25.3° |
| C5 | C8 | C10 | H4 | 117.9° | 118.7° |
| C5 | C8 | C10 | C13 | 178.6° | 163.2° |
| C8 | C5 | C3 | H1 | 71.7° | 167.5° |
| C8 | C5 | H2 | H3 | 118.6° | 117.3° |
| C5 | C8 | C10 | H5 | 60.5° | 75.6° |
| C5 | C8 | C10 | H6 | 57.8° | 42.1° |
| C5 | C8 | C52 | H27 | 180.0° | 38.1° |
| C5 | C8 | C52 | H28 | 60.0° | 158.1° |
| C5 | C8 | C52 | H29 | 60.0° | 81.9° |
| C36 | C37 | C39 | H20 | 180.0° | 180.0° |
| C36 | C37 | C39 | C42 | 179.4° | 179.7° |
| C36 | C37 | C39 | C40 | 1.0° | 0.2° |
| C37 | C36 | C34 | C33 | 1.2° | 1.2° |
| C37 | C36 | C34 | H19 | 178.8° | 179.2° |
| C39 | C37 | C36 | C34 | 1.5° | 0.5° |
| C37 | C39 | C42 | O45 | 97.1° | 90.0° |
| C37 | C39 | C42 | C40 | 179.5° | 179.9° |
| C37 | C39 | C40 | C33 | 0.1° | 0.2° |
| C37 | C39 | C40 | H21 | 179.9° | 179.8° |
| C37 | C39 | C42 | H22 | 23.2° | 150.0° |
| C37 | C39 | C42 | H23 | 142.6° | 30.0° |
| C8 | C10 | C13 | H5 | 120.9° | 120.8° |
| C8 | C10 | C13 | H6 | 120.9° | 120.7° |
| C8 | C10 | C13 | C16 | 77.1° | 104.1° |
| C10 | C8 | C5 | H2 | 37.1° | 75.6° |
| C10 | C8 | C5 | H3 | 81.9° | 40.7° |
| C8 | C10 | H5 | H6 | 117.4° | 117.9° |
| C8 | C10 | C13 | H7 | 162.1° | 20.1° |
| C8 | C10 | C13 | H8 | 43.6° | 138.4° |
| C10 | C8 | C52 | H27 | 55.4° | 158.2° |
| C10 | C8 | C52 | H28 | 64.6° | 81.8° |
| C10 | C8 | C52 | H29 | 175.4° | 38.1° |
| C36 | C34 | C33 | H19 | 180.0° | 179.6° |
| C36 | C34 | C33 | C40 | 0.3° | 1.2° |
| C36 | C34 | C33 | N31 | 179.6° | 179.0° |
| C34 | C36 | C37 | H20 | 178.5° | 179.5° |
| O45 | C42 | C39 | H22 | 120.3° | 120.0° |
| O45 | C42 | C39 | H23 | 120.3° | 120.1° |
| O45 | C42 | C39 | C40 | 83.3° | 90.1° |
| O45 | C42 | H22 | H23 | 119.1° | 120.1° |
| C42 | O45 | C46 | H24 | 180.0° | 180.0° |
| C42 | O45 | C46 | H25 | 60.0° | 60.0° |
| C42 | O45 | C46 | H26 | 60.0° | 60.0° |
| C39 | C42 | O45 | C46 | 115.8° | 180.0° |
| C42 | C39 | C40 | C33 | 179.7° | 179.7° |
| C42 | C39 | C37 | H20 | 0.6° | 0.3° |
| C42 | C39 | C40 | H21 | 0.3° | 0.3° |
| C39 | C42 | H22 | H23 | 119.1° | 120.0° |
| C46 | O45 | C42 | H22 | 123.8° | 60.0° |
| C46 | O45 | C42 | H23 | 4.4° | 60.0° |
| O45 | C46 | H24 | H25 | 120.0° | 119.9° |
| O45 | C46 | H24 | H26 | 120.0° | 120.0° |
| O45 | C46 | H25 | H26 | 120.0° | 119.9° |
| C39 | C40 | C33 | C34 | 0.2° | 0.5° |
| C39 | C40 | C33 | H21 | 180.0° | 180.0° |
| C39 | C40 | C33 | N31 | 179.9° | 179.7° |
| C40 | C39 | C37 | H20 | 179.0° | 179.8° |
| C40 | C39 | C42 | H22 | 156.4° | 30.0° |
| C40 | C39 | C42 | H23 | 36.9° | 149.9° |
| C10 | C13 | C16 | H7 | 120.7° | 124.9° |
| C10 | C13 | C16 | H8 | 120.7° | 117.7° |
| C10 | C13 | C16 | C19 | 57.7° | 131.2° |
| C13 | C10 | C8 | H4 | 63.5° | 78.2° |
| C13 | C10 | H5 | H6 | 117.3° | 119.1° |
| C10 | C13 | H7 | H8 | 117.7° | 118.7° |
| C10 | C13 | C16 | H9 | 178.4° | 108.9° |
| C10 | C13 | C16 | H10 | 63.1° | 10.6° |
| C13 | C16 | C19 | H9 | 120.7° | 119.9° |
| C13 | C16 | C19 | H10 | 120.8° | 120.7° |
| C13 | C16 | C19 | C22 | 174.6° | 152.7° |
| C16 | C13 | C10 | H5 | 43.7° | 135.1° |
| C16 | C13 | C10 | H6 | 162.0° | 16.6° |
| C16 | C13 | H7 | H8 | 117.7° | 117.7° |
| C13 | C16 | H9 | H10 | 117.7° | 119.9° |
| C13 | C16 | C19 | H11 | 64.9° | 31.8° |
| C13 | C16 | C19 | H12 | 54.1° | 88.0° |
| C34 | C33 | C40 | N31 | 179.9° | 179.8° |
| C34 | C33 | N31 | C28 | 9.8° | 3.3° |
| C34 | C33 | C40 | H21 | 179.8° | 179.6° |
| C34 | C33 | N31 | H47 | 131.7° | 176.5° |
| C40 | C33 | N31 | C28 | 170.3° | 176.5° |
| C40 | C33 | C34 | H19 | 179.7° | 179.2° |
| C40 | C33 | N31 | H47 | 48.4° | 3.7° |
| C16 | C19 | C22 | H11 | 120.5° | 121.1° |
| C16 | C19 | C22 | H12 | 120.5° | 119.3° |
| C16 | C19 | C22 | C25 | 61.3° | 117.7° |
| C19 | C16 | C13 | H7 | 63.0° | 6.3° |
| C19 | C16 | C13 | H8 | 178.4° | 111.1° |
| C19 | C16 | H9 | H10 | 117.6° | 119.7° |
| C16 | C19 | H11 | H12 | 118.5° | 120.0° |
| C16 | C19 | C22 | H13 | 178.2° | 122.4° |
| C16 | C19 | C22 | H14 | 59.2° | 2.5° |
| C33 | N31 | C28 | H47 | 121.9° | 179.9° |
| C33 | N31 | C28 | C25 | 84.5° | 100.8° |
| C33 | N31 | C28 | H17 | 155.0° | 140.3° |
| C33 | N31 | C28 | H18 | 35.9° | 21.3° |
| N31 | C33 | C34 | H19 | 0.4° | 0.6° |
| N31 | C33 | C40 | H21 | 0.2° | 0.3° |
| C19 | C22 | C25 | C28 | 85.1° | 133.2° |
| C19 | C22 | C25 | H13 | 120.5° | 119.8° |
| C19 | C22 | C25 | H14 | 120.5° | 120.2° |
| C22 | C19 | C16 | H9 | 53.9° | 87.3° |
| C22 | C19 | C16 | H10 | 64.6° | 32.0° |
| C22 | C19 | H11 | H12 | 118.4° | 119.6° |
| C19 | C22 | H13 | H14 | 118.5° | 120.1° |
| C19 | C22 | C25 | H15 | 35.4° | 12.6° |
| C19 | C22 | C25 | H16 | 154.3° | 107.3° |
| N31 | C28 | C25 | H17 | 120.4° | 119.1° |
| N31 | C28 | C25 | H18 | 120.4° | 122.7° |
| N31 | C28 | C25 | C22 | 175.9° | 166.1° |
| N31 | C28 | C25 | H15 | 63.5° | 73.0° |
| N31 | C28 | C25 | H16 | 55.4° | 46.6° |
| N31 | C28 | H17 | H18 | 118.7° | 120.7° |
| C28 | C25 | C22 | H15 | 120.6° | 120.6° |
| C28 | C25 | C22 | H16 | 120.5° | 119.5° |
| C28 | C25 | C22 | H13 | 35.3° | 107.0° |
| C28 | C25 | C22 | H14 | 154.3° | 13.0° |
| C28 | C25 | H15 | H16 | 118.3° | 119.6° |
| C25 | C28 | H17 | H18 | 118.7° | 119.3° |
| C25 | C28 | N31 | H47 | 37.4° | 79.0° |
| C25 | C22 | C19 | H11 | 59.1° | 3.4° |
| C25 | C22 | C19 | H12 | 178.1° | 122.9° |
| C25 | C22 | H13 | H14 | 118.5° | 120.1° |
| C22 | C25 | H15 | H16 | 118.3° | 119.9° |
| C22 | C25 | C28 | H17 | 55.5° | 47.0° |
| C22 | C25 | C28 | H18 | 63.7° | 71.1° |
| H1 | C3 | C5 | H2 | 167.8° | 45.8° |
| H1 | C3 | C5 | H3 | 48.7° | 70.4° |
| H1 | C3 | C56 | H30 | 175.6° | 64.7° |
| H1 | C3 | N1 | H46 | 169.8° | 101.6° |
| H2 | C5 | C8 | H4 | 80.8° | 42.2° |
| H3 | C5 | C8 | H4 | 160.1° | 158.5° |
| H4 | C8 | C10 | H5 | 57.4° | 43.0° |
| H4 | C8 | C10 | H6 | 175.7° | 160.7° |
| H4 | C8 | C52 | H27 | 62.6° | 83.5° |
| H4 | C8 | C52 | H28 | 177.4° | 36.5° |
| H4 | C8 | C52 | H29 | 57.4° | 156.4° |
| H5 | C10 | C13 | H7 | 77.0° | 100.7° |
| H5 | C10 | C13 | H8 | 164.4° | 17.5° |
| H6 | C10 | C13 | H7 | 41.3° | 140.8° |
| H6 | C10 | C13 | H8 | 77.3° | 101.0° |
| H7 | C13 | C16 | H9 | 57.7° | 126.2° |
| H7 | C13 | C16 | H10 | 176.2° | 114.3° |
| H8 | C13 | C16 | H9 | 60.8° | 8.8° |
| H8 | C13 | C16 | H10 | 57.7° | 128.3° |
| H9 | C16 | C19 | H11 | 174.4° | 151.8° |
| H9 | C16 | C19 | H12 | 66.6° | 32.0° |
| H10 | C16 | C19 | H11 | 55.9° | 88.9° |
| H10 | C16 | C19 | H12 | 174.9° | 151.3° |
| H11 | C19 | C22 | H13 | 61.4° | 116.5° |
| H11 | C19 | C22 | H14 | 179.7° | 123.6° |
| H12 | C19 | C22 | H13 | 57.6° | 3.1° |
| H12 | C19 | C22 | H14 | 61.3° | 116.9° |
| H13 | C22 | C25 | H15 | 155.9° | 132.4° |
| H13 | C22 | C25 | H16 | 85.2° | 12.5° |
| H14 | C22 | C25 | H15 | 85.1° | 107.6° |
| H14 | C22 | C25 | H16 | 33.8° | 132.5° |
| H15 | C25 | C28 | H17 | 176.0° | 167.9° |
| H15 | C25 | C28 | H18 | 56.9° | 49.7° |
| H16 | C25 | C28 | H17 | 65.1° | 72.5° |
| H16 | C25 | C28 | H18 | 175.8° | 169.3° |
| H17 | C28 | N31 | H47 | 83.0° | 39.9° |
| H18 | C28 | N31 | H47 | 157.9° | 158.8° |
| H24 | C46 | H25 | H26 | 120.0° | 120.1° |
| H27 | C52 | H28 | H29 | 120.0° | 120.0° |
| H30 | C56 | C60 | H31 | 171.8° | 60.4° |
| H30 | C56 | C60 | H32 | 51.2° | 179.5° |
| H30 | C56 | O58 | H50 | 61.9° | 156.4° |
| H31 | C60 | N63 | H48 | 165.6° | 64.0° |
| H32 | C60 | N63 | H48 | 45.0° | 176.0° |
| H33 | C65 | N63 | H48 | 63.7° | 176.0° |
| H34 | C65 | N63 | H48 | 55.3° | 64.0° |
| H36 | C72 | C74 | H37 | 0.1° | 0.1° |
| H37 | C74 | C76 | H38 | 0.3° | 0.2° |
| H39 | C78 | C80 | H40 | 63.3° | 60.0° |
| H39 | C78 | C80 | H41 | 176.7° | 60.0° |
| H39 | C78 | C80 | H42 | 56.7° | 180.0° |
| H39 | C78 | C84 | H43 | 63.3° | 59.9° |
| H39 | C78 | C84 | H44 | 56.7° | 60.0° |
| H39 | C78 | C84 | H45 | 176.7° | NaN° |
| H40 | C80 | H41 | H42 | 120.0° | 120.0° |
| H43 | C84 | H44 | H45 | 120.0° | 120.1° |
