E6S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C66 | C68 | sing | 1.53Å | 1.52Å | |
| C66 | C72 | sing | 1.53Å | 1.49Å | |
| C66 | C59 | sing | 1.51Å | 1.53Å | |
| C60 | C62 | doub | 1.38Å | 1.38Å | Aromatic |
| C60 | C59 | sing | 1.38Å | 1.38Å | Aromatic |
| C62 | C64 | sing | 1.38Å | 1.39Å | Aromatic |
| C59 | C57 | doub | 1.38Å | 1.40Å | Aromatic |
| C64 | C56 | doub | 1.38Å | 1.39Å | Aromatic |
| C57 | C56 | sing | 1.38Å | 1.40Å | Aromatic |
| C56 | C53 | sing | 1.51Å | 1.51Å | |
| C53 | N51 | sing | 1.47Å | 1.47Å | |
| N51 | C48 | sing | 1.47Å | 1.48Å | |
| C48 | C44 | sing | 1.53Å | 1.57Å | |
| O76 | C4 | doub | 1.21Å | 1.23Å | |
| O46 | C44 | sing | 1.43Å | 1.41Å | |
| C44 | C7 | sing | 1.53Å | 1.58Å | |
| C44 | O45 | sing | 1.43Å | 1.40Å | |
| C40 | C12 | sing | 1.53Å | 1.54Å | |
| C7 | C9 | sing | 1.53Å | 1.52Å | |
| C7 | N5 | sing | 1.48Å | 1.46Å | |
| C4 | N5 | sing | 1.37Å | 1.34Å | |
| C4 | C2 | sing | 1.51Å | 1.53Å | |
| C9 | C12 | sing | 1.53Å | 1.54Å | |
| C77 | C2 | sing | 1.53Å | 1.53Å | |
| C12 | C14 | sing | 1.53Å | 1.53Å | |
| C2 | N1 | sing | 1.48Å | 1.47Å | |
| C14 | C17 | sing | 1.53Å | 1.53Å | |
| C81 | N1 | sing | 1.47Å | 1.47Å | |
| N1 | C38 | sing | 1.36Å | 1.35Å | |
| C17 | C20 | sing | 1.53Å | 1.51Å | |
| C20 | C23 | sing | 1.53Å | 1.55Å | |
| C38 | O39 | doub | 1.21Å | 1.22Å | |
| C38 | C35 | sing | 1.51Å | 1.51Å | |
| C35 | C32 | sing | 1.53Å | 1.56Å | |
| C23 | C26 | sing | 1.53Å | 1.54Å | |
| C32 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | C26 | sing | 1.53Å | 1.51Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C12 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C23 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C29 | H14 | sing | 1.09Å | 1.10Å | |
| C32 | H15 | sing | 1.09Å | 1.10Å | |
| C32 | H16 | sing | 1.09Å | 1.10Å | |
| C35 | H17 | sing | 1.09Å | 1.10Å | |
| C35 | H18 | sing | 1.09Å | 1.10Å | |
| C40 | H19 | sing | 1.09Å | 1.10Å | |
| C40 | H20 | sing | 1.09Å | 1.10Å | |
| C40 | H21 | sing | 1.09Å | 1.10Å | |
| C48 | H22 | sing | 1.09Å | 1.10Å | |
| C48 | H23 | sing | 1.09Å | 1.10Å | |
| C53 | H24 | sing | 1.09Å | 1.10Å | |
| C53 | H25 | sing | 1.09Å | 1.10Å | |
| C57 | H26 | sing | 1.08Å | 1.08Å | |
| C60 | H27 | sing | 1.08Å | 1.08Å | |
| C62 | H28 | sing | 1.08Å | 1.08Å | |
| C64 | H29 | sing | 1.08Å | 1.08Å | |
| C66 | H30 | sing | 1.09Å | 1.10Å | |
| C68 | H31 | sing | 1.09Å | 1.10Å | |
| C68 | H32 | sing | 1.09Å | 1.10Å | |
| C68 | H33 | sing | 1.09Å | 1.10Å | |
| C7 | H34 | sing | 1.09Å | 1.10Å | |
| C72 | H35 | sing | 1.09Å | 1.10Å | |
| C72 | H36 | sing | 1.09Å | 1.10Å | |
| C72 | H37 | sing | 1.09Å | 1.10Å | |
| C77 | H38 | sing | 1.09Å | 1.10Å | |
| C77 | H39 | sing | 1.09Å | 1.10Å | |
| C77 | H40 | sing | 1.09Å | 1.10Å | |
| C81 | H41 | sing | 1.09Å | 1.10Å | |
| C81 | H42 | sing | 1.09Å | 1.10Å | |
| C81 | H43 | sing | 1.09Å | 1.10Å | |
| C9 | H44 | sing | 1.09Å | 1.10Å | |
| C9 | H45 | sing | 1.09Å | 1.10Å | |
| N5 | H46 | sing | 0.97Å | 1.00Å | |
| N51 | H47 | sing | 1.01Å | 1.00Å | |
| O45 | H49 | sing | 0.97Å | 0.95Å | |
| O46 | H50 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C68 | C66 | C72 | 110.0° | 109.5° |
| C68 | C66 | C59 | 112.2° | 109.5° |
| C68 | C66 | H30 | 107.5° | 109.5° |
| C66 | C68 | H31 | 109.5° | 109.5° |
| C66 | C68 | H32 | 109.5° | 109.5° |
| C66 | C68 | H33 | 109.5° | 109.5° |
| C72 | C66 | C59 | 111.7° | 109.5° |
| C72 | C66 | H30 | 107.8° | 109.5° |
| C66 | C72 | H35 | 109.5° | 109.4° |
| C66 | C72 | H36 | 109.5° | 109.4° |
| C66 | C72 | H37 | 109.4° | 109.5° |
| C66 | C59 | C60 | 119.4° | 120.0° |
| C66 | C59 | C57 | 121.9° | 120.0° |
| C59 | C66 | H30 | 107.4° | 109.5° |
| C62 | C60 | C59 | 120.6° | 120.0° |
| C60 | C62 | C64 | 120.4° | 120.0° |
| C62 | C60 | H27 | 119.7° | 120.0° |
| C60 | C62 | H28 | 119.8° | 120.1° |
| C60 | C59 | C57 | 118.6° | 120.0° |
| C59 | C60 | H27 | 119.8° | 120.0° |
| C62 | C64 | C56 | 120.5° | 120.0° |
| C64 | C62 | H28 | 119.8° | 120.0° |
| C62 | C64 | H29 | 119.7° | 120.0° |
| C59 | C57 | C56 | 121.5° | 120.0° |
| C59 | C57 | H26 | 119.2° | 119.9° |
| C64 | C56 | C57 | 118.4° | 120.0° |
| C64 | C56 | C53 | 120.3° | 120.0° |
| C56 | C64 | H29 | 119.7° | 120.0° |
| C57 | C56 | C53 | 121.4° | 120.0° |
| C56 | C57 | H26 | 119.3° | 120.0° |
| C56 | C53 | N51 | 112.7° | 109.5° |
| C56 | C53 | H24 | 108.6° | 109.5° |
| C56 | C53 | H25 | 108.6° | 109.5° |
| C53 | N51 | C48 | 115.3° | 111.0° |
| N51 | C53 | H24 | 108.7° | 109.4° |
| N51 | C53 | H25 | 108.7° | 109.5° |
| C53 | N51 | H47 | 108.0° | 111.0° |
| N51 | C48 | C44 | 107.1° | 109.5° |
| N51 | C48 | H22 | 110.1° | 109.5° |
| N51 | C48 | H23 | 110.1° | 109.5° |
| C48 | N51 | H47 | 108.0° | 110.9° |
| C48 | C44 | O46 | 108.4° | 109.5° |
| C48 | C44 | C7 | 112.8° | 109.5° |
| C48 | C44 | O45 | 108.1° | 109.5° |
| C44 | C48 | H22 | 110.1° | 109.4° |
| C44 | C48 | H23 | 110.0° | 109.5° |
| O76 | C4 | N5 | 123.0° | 120.8° |
| O76 | C4 | C2 | 121.1° | 120.7° |
| O46 | C44 | C7 | 109.7° | 109.4° |
| O46 | C44 | O45 | 104.9° | 109.5° |
| C44 | O46 | H50 | 109.5° | 114.0° |
| C7 | C44 | O45 | 112.5° | 109.5° |
| C44 | C7 | C9 | 109.7° | 109.6° |
| C44 | C7 | N5 | 109.5° | 109.6° |
| C44 | C7 | H34 | 108.5° | 109.7° |
| C44 | O45 | H49 | 109.5° | 114.0° |
| C40 | C12 | C9 | 111.8° | 109.5° |
| C40 | C12 | C14 | 111.6° | 109.5° |
| C40 | C12 | H2 | 107.4° | 109.5° |
| C12 | C40 | H19 | 109.5° | 109.4° |
| C12 | C40 | H20 | 109.4° | 109.5° |
| C12 | C40 | H21 | 109.5° | 109.5° |
| C9 | C7 | N5 | 109.6° | 108.5° |
| C7 | C9 | C12 | 115.3° | 109.5° |
| C9 | C7 | H34 | 109.3° | 109.8° |
| C7 | C9 | H44 | 108.0° | 109.5° |
| C7 | C9 | H45 | 108.0° | 109.5° |
| C7 | N5 | C4 | 124.4° | 114.4° |
| N5 | C7 | H34 | 110.1° | 109.7° |
| C7 | N5 | H46 | 117.8° | 122.8° |
| N5 | C4 | C2 | 115.8° | 118.5° |
| C4 | N5 | H46 | 117.8° | 122.8° |
| C4 | C2 | C77 | 111.7° | 109.7° |
| C4 | C2 | N1 | 111.2° | 108.7° |
| C4 | C2 | H1 | 106.8° | 109.6° |
| C9 | C12 | C14 | 110.9° | 109.5° |
| C9 | C12 | H2 | 107.5° | 109.5° |
| C12 | C9 | H44 | 108.0° | 109.5° |
| C12 | C9 | H45 | 108.0° | 109.5° |
| C77 | C2 | N1 | 112.2° | 109.6° |
| C77 | C2 | H1 | 107.0° | 109.6° |
| C2 | C77 | H38 | 109.5° | 109.5° |
| C2 | C77 | H39 | 109.5° | 109.5° |
| C2 | C77 | H40 | 109.5° | 109.5° |
| C12 | C14 | C17 | 115.7° | 109.5° |
| C14 | C12 | H2 | 107.5° | 109.4° |
| C12 | C14 | H3 | 107.9° | 109.5° |
| C12 | C14 | H4 | 107.9° | 109.4° |
| C2 | N1 | C81 | 118.0° | 122.0° |
| C2 | N1 | C38 | 118.5° | 116.1° |
| N1 | C2 | H1 | 107.6° | 109.6° |
| C14 | C17 | C20 | 114.6° | 109.5° |
| C17 | C14 | H3 | 107.9° | 109.5° |
| C17 | C14 | H4 | 107.9° | 109.5° |
| C14 | C17 | H5 | 108.2° | 109.5° |
| C14 | C17 | H6 | 108.2° | 109.5° |
| C81 | N1 | C38 | 123.5° | 121.9° |
| N1 | C81 | H41 | 109.5° | 109.5° |
| N1 | C81 | H42 | 109.5° | 109.5° |
| N1 | C81 | H43 | 109.5° | 109.5° |
| N1 | C38 | O39 | 121.6° | 120.5° |
| N1 | C38 | C35 | 118.5° | 119.0° |
| C17 | C20 | C23 | 114.2° | 109.5° |
| C20 | C17 | H5 | 108.1° | 109.4° |
| C20 | C17 | H6 | 108.2° | 109.5° |
| C17 | C20 | H7 | 108.3° | 109.5° |
| C17 | C20 | H8 | 108.3° | 109.5° |
| C20 | C23 | C26 | 113.9° | 109.5° |
| C23 | C20 | H7 | 108.3° | 109.4° |
| C23 | C20 | H8 | 108.3° | 109.4° |
| C20 | C23 | H9 | 108.3° | 109.5° |
| C20 | C23 | H10 | 108.3° | 109.5° |
| O39 | C38 | C35 | 119.9° | 120.5° |
| C38 | C35 | C32 | 110.7° | 109.5° |
| C38 | C35 | H17 | 109.2° | 109.5° |
| C38 | C35 | H18 | 109.2° | 109.5° |
| C35 | C32 | C29 | 114.5° | 109.5° |
| C35 | C32 | H15 | 108.2° | 109.5° |
| C35 | C32 | H16 | 108.2° | 109.5° |
| C32 | C35 | H17 | 109.2° | 109.5° |
| C32 | C35 | H18 | 109.1° | 109.4° |
| C23 | C26 | C29 | 113.5° | 109.5° |
| C26 | C23 | H9 | 108.3° | 109.4° |
| C26 | C23 | H10 | 108.3° | 109.4° |
| C23 | C26 | H11 | 108.4° | 109.4° |
| C23 | C26 | H12 | 108.5° | 109.5° |
| C32 | C29 | C26 | 112.9° | 109.5° |
| C32 | C29 | H13 | 108.6° | 109.5° |
| C32 | C29 | H14 | 108.6° | 109.5° |
| C29 | C32 | H15 | 108.2° | 109.5° |
| C29 | C32 | H16 | 108.2° | 109.4° |
| C29 | C26 | H11 | 108.5° | 109.5° |
| C29 | C26 | H12 | 108.5° | 109.5° |
| C26 | C29 | H13 | 108.6° | 109.4° |
| C26 | C29 | H14 | 108.6° | 109.5° |
| H3 | C14 | H4 | 109.5° | 109.4° |
| H5 | C17 | H6 | 109.5° | 109.5° |
| H7 | C20 | H8 | 109.5° | 109.5° |
| H9 | C23 | H10 | 109.5° | 109.5° |
| H11 | C26 | H12 | 109.5° | 109.4° |
| H13 | C29 | H14 | 109.5° | 109.4° |
| H15 | C32 | H16 | 109.5° | 109.4° |
| H17 | C35 | H18 | 109.4° | 109.5° |
| H19 | C40 | H20 | 109.5° | 109.5° |
| H19 | C40 | H21 | 109.5° | 109.5° |
| H20 | C40 | H21 | 109.5° | 109.5° |
| H22 | C48 | H23 | 109.5° | 109.5° |
| H24 | C53 | H25 | 109.5° | 109.5° |
| H31 | C68 | H32 | 109.5° | 109.4° |
| H31 | C68 | H33 | 109.5° | 109.4° |
| H32 | C68 | H33 | 109.5° | 109.5° |
| H35 | C72 | H36 | 109.5° | 109.5° |
| H35 | C72 | H37 | 109.4° | 109.5° |
| H36 | C72 | H37 | 109.5° | 109.5° |
| H38 | C77 | H39 | 109.5° | 109.5° |
| H38 | C77 | H40 | 109.5° | 109.4° |
| H39 | C77 | H40 | 109.5° | 109.5° |
| H41 | C81 | H42 | 109.5° | 109.5° |
| H41 | C81 | H43 | 109.5° | 109.5° |
| H42 | C81 | H43 | 109.4° | 109.4° |
| H44 | C9 | H45 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C68 | C66 | C72 | C59 | 125.2° | 120.0° |
| C68 | C66 | C72 | H30 | 117.0° | 120.0° |
| C68 | C66 | C59 | H30 | 117.9° | 120.0° |
| C68 | C66 | C59 | C60 | 134.9° | 60.0° |
| C68 | C66 | C59 | C57 | 44.2° | 120.0° |
| C66 | C68 | H31 | H32 | 120.0° | 120.0° |
| C66 | C68 | H31 | H33 | 120.0° | 120.0° |
| C66 | C68 | H32 | H33 | 120.0° | 120.0° |
| C68 | C66 | C72 | H35 | 180.0° | 60.0° |
| C68 | C66 | C72 | H36 | 60.0° | 180.0° |
| C68 | C66 | C72 | H37 | 60.0° | 60.0° |
| C72 | C66 | C59 | H30 | 118.0° | 120.0° |
| C72 | C66 | C59 | C60 | 101.1° | 60.0° |
| C72 | C66 | C59 | C57 | 79.8° | 120.0° |
| C72 | C66 | C68 | H31 | 180.0° | 60.0° |
| C72 | C66 | C68 | H32 | 60.0° | 180.0° |
| C72 | C66 | C68 | H33 | 60.0° | 60.0° |
| C66 | C72 | H35 | H36 | 120.0° | 120.0° |
| C66 | C72 | H35 | H37 | 120.0° | 120.0° |
| C66 | C72 | H36 | H37 | 120.0° | 120.0° |
| C66 | C59 | C60 | C62 | 179.2° | 180.0° |
| C66 | C59 | C60 | C57 | 179.2° | 180.0° |
| C66 | C59 | C57 | C56 | 179.0° | 180.0° |
| C66 | C59 | C57 | H26 | 1.0° | 0.0° |
| C66 | C59 | C60 | H27 | 0.8° | 0.3° |
| C59 | C66 | C68 | H31 | 55.0° | 180.0° |
| C59 | C66 | C68 | H32 | 175.1° | 60.0° |
| C59 | C66 | C68 | H33 | 64.9° | 60.0° |
| C59 | C66 | C72 | H35 | 54.8° | 60.0° |
| C59 | C66 | C72 | H36 | 65.2° | 60.0° |
| C59 | C66 | C72 | H37 | 174.8° | 180.0° |
| C62 | C60 | C59 | H27 | 180.0° | 179.8° |
| C60 | C62 | C64 | H28 | 180.0° | 179.8° |
| C62 | C60 | C59 | C57 | 0.1° | 0.0° |
| C60 | C62 | C64 | C56 | 0.4° | 0.5° |
| C60 | C62 | C64 | H29 | 179.6° | 180.0° |
| C59 | C60 | C62 | C64 | 0.1° | 0.2° |
| C60 | C59 | C57 | C56 | 0.1° | 0.1° |
| C60 | C59 | C57 | H26 | 179.9° | 180.0° |
| C59 | C60 | C62 | H28 | 179.9° | 180.0° |
| C60 | C59 | C66 | H30 | 16.9° | 180.0° |
| C62 | C64 | C56 | H29 | 180.0° | 179.5° |
| C62 | C64 | C56 | C57 | 0.6° | 0.6° |
| C62 | C64 | C56 | C53 | 179.3° | 179.7° |
| C64 | C62 | C60 | H27 | 179.9° | 180.0° |
| C59 | C57 | C56 | C64 | 0.4° | 0.3° |
| C59 | C57 | C56 | H26 | 180.0° | 180.0° |
| C59 | C57 | C56 | C53 | 179.1° | 180.0° |
| C57 | C59 | C60 | H27 | 179.9° | 179.8° |
| C57 | C59 | C66 | H30 | 162.2° | 0.0° |
| C64 | C56 | C57 | C53 | 178.7° | 179.7° |
| C64 | C56 | C53 | N51 | 116.4° | 90.3° |
| C64 | C56 | C53 | H24 | 4.0° | 29.7° |
| C64 | C56 | C53 | H25 | 123.1° | 149.7° |
| C64 | C56 | C57 | H26 | 179.6° | 179.7° |
| C56 | C64 | C62 | H28 | 179.6° | 179.7° |
| C57 | C56 | C53 | N51 | 62.2° | 90.1° |
| C57 | C56 | C53 | H24 | 177.3° | 150.0° |
| C57 | C56 | C53 | H25 | 58.3° | 30.0° |
| C57 | C56 | C64 | H29 | 179.4° | 180.0° |
| C56 | C53 | N51 | H24 | 120.5° | 120.0° |
| C56 | C53 | N51 | H25 | 120.5° | 120.1° |
| C56 | C53 | N51 | C48 | 61.4° | 180.0° |
| C56 | C53 | H24 | H25 | 118.5° | 120.0° |
| C53 | C56 | C57 | H26 | 0.9° | 0.0° |
| C53 | C56 | C64 | H29 | 0.7° | 0.3° |
| C56 | C53 | N51 | H47 | 177.8° | 56.1° |
| C53 | N51 | C48 | H47 | 120.9° | 123.9° |
| C53 | N51 | C48 | C44 | 173.2° | 180.0° |
| C53 | N51 | C48 | H22 | 53.5° | 60.0° |
| C53 | N51 | C48 | H23 | 67.2° | 60.0° |
| N51 | C53 | H24 | H25 | 118.5° | 120.0° |
| N51 | C48 | C44 | H22 | 119.6° | 120.0° |
| N51 | C48 | C44 | H23 | 119.6° | 120.0° |
| N51 | C48 | C44 | O46 | 52.1° | 61.2° |
| N51 | C48 | C44 | C7 | 173.8° | 178.8° |
| N51 | C48 | C44 | O45 | 61.2° | 58.8° |
| N51 | C48 | H22 | H23 | 121.1° | 120.0° |
| C48 | N51 | C53 | H24 | 59.1° | 60.0° |
| C48 | N51 | C53 | H25 | 178.2° | 59.9° |
| C48 | C44 | O46 | C7 | 123.6° | 120.0° |
| C48 | C44 | O46 | O45 | 115.4° | 120.0° |
| C48 | C44 | C7 | O45 | 122.6° | 120.0° |
| C48 | C44 | C7 | C9 | 163.0° | 59.5° |
| C48 | C44 | C7 | N5 | 76.6° | 59.4° |
| C44 | C48 | H22 | H23 | 121.1° | 120.0° |
| C48 | C44 | C7 | H34 | 43.6° | 179.9° |
| C44 | C48 | N51 | H47 | 66.0° | 56.1° |
| C48 | C44 | O45 | H49 | 180.0° | 164.1° |
| C48 | C44 | O46 | H50 | 180.0° | 92.4° |
| O76 | C4 | N5 | C7 | 0.8° | 0.0° |
| O76 | C4 | N5 | C2 | 179.5° | 180.0° |
| O76 | C4 | C2 | C77 | 7.7° | 176.9° |
| O76 | C4 | C2 | N1 | 118.5° | 57.1° |
| O76 | C4 | C2 | H1 | 124.4° | 62.7° |
| O76 | C4 | N5 | H46 | 179.2° | 179.9° |
| O46 | C44 | C7 | O45 | 116.4° | 120.0° |
| O46 | C44 | C7 | C9 | 42.0° | 179.5° |
| O46 | C44 | C7 | N5 | 162.4° | 60.5° |
| O46 | C44 | C48 | H22 | 67.6° | 178.7° |
| O46 | C44 | C48 | H23 | 171.7° | 58.7° |
| O46 | C44 | C7 | H34 | 77.3° | 59.9° |
| O46 | C44 | O45 | H49 | 64.4° | 75.9° |
| C44 | C7 | C9 | N5 | 120.3° | 119.7° |
| C44 | C7 | C9 | H34 | 118.9° | 120.5° |
| C44 | C7 | N5 | H34 | 119.3° | 120.4° |
| C44 | C7 | N5 | C4 | 98.8° | 14.2° |
| C44 | C7 | C9 | C12 | 175.3° | 34.2° |
| C7 | C44 | C48 | H22 | 54.2° | 58.7° |
| C7 | C44 | C48 | H23 | 66.6° | 61.2° |
| C44 | C7 | C9 | H44 | 54.5° | 154.2° |
| C44 | C7 | C9 | H45 | 63.9° | 85.8° |
| C44 | C7 | N5 | H46 | 81.2° | 165.8° |
| C7 | C44 | O45 | H49 | 54.8° | 44.1° |
| C7 | C44 | O46 | H50 | 56.4° | 27.6° |
| O45 | C44 | C7 | C9 | 74.4° | 60.5° |
| O45 | C44 | C7 | N5 | 46.0° | 179.5° |
| O45 | C44 | C48 | H22 | 179.2° | 61.3° |
| O45 | C44 | C48 | H23 | 58.4° | 178.8° |
| O45 | C44 | C7 | H34 | 166.2° | 60.1° |
| O45 | C44 | O46 | H50 | 64.6° | 147.6° |
| C40 | C12 | C9 | C7 | 56.4° | 41.2° |
| C40 | C12 | C9 | C14 | 125.3° | 120.0° |
| C40 | C12 | C9 | H2 | 117.6° | 120.0° |
| C40 | C12 | C14 | H2 | 117.5° | 120.0° |
| C40 | C12 | C14 | C17 | 71.8° | 59.8° |
| C40 | C12 | C14 | H3 | 167.3° | 179.9° |
| C40 | C12 | C14 | H4 | 49.1° | 60.2° |
| C12 | C40 | H19 | H20 | 120.0° | 120.0° |
| C12 | C40 | H19 | H21 | 120.0° | 120.0° |
| C12 | C40 | H20 | H21 | 120.0° | 120.1° |
| C40 | C12 | C9 | H44 | 177.2° | 78.8° |
| C40 | C12 | C9 | H45 | 64.5° | 161.2° |
| C9 | C7 | N5 | H34 | 120.3° | 119.9° |
| C9 | C7 | N5 | C4 | 140.8° | 133.9° |
| C7 | C9 | C12 | H44 | 120.8° | 120.0° |
| C7 | C9 | C12 | H45 | 120.9° | 120.0° |
| C7 | C9 | C12 | C14 | 178.4° | 161.3° |
| C7 | C9 | C12 | H2 | 61.2° | 78.8° |
| C7 | C9 | H44 | H45 | 117.4° | 120.0° |
| C9 | C7 | N5 | H46 | 39.2° | 46.1° |
| C7 | N5 | C4 | H46 | 180.0° | 180.0° |
| C7 | N5 | C4 | C2 | 179.7° | 179.9° |
| N5 | C7 | C9 | C12 | 55.0° | 85.4° |
| N5 | C7 | C9 | H44 | 65.9° | 34.6° |
| N5 | C7 | C9 | H45 | 175.8° | 154.5° |
| N5 | C4 | C2 | C77 | 171.8° | 3.2° |
| N5 | C4 | C2 | N1 | 62.0° | 123.0° |
| N5 | C4 | C2 | H1 | 55.1° | 117.2° |
| C4 | N5 | C7 | H34 | 20.5° | 106.2° |
| C4 | C2 | C77 | N1 | 125.6° | 119.3° |
| C4 | C2 | C77 | H1 | 116.6° | 120.4° |
| C4 | C2 | N1 | H1 | 116.6° | 119.8° |
| C4 | C2 | N1 | C81 | 39.7° | 96.7° |
| C4 | C2 | N1 | C38 | 141.7° | 83.3° |
| C4 | C2 | C77 | H38 | 180.0° | 74.2° |
| C4 | C2 | C77 | H39 | 60.0° | 45.8° |
| C4 | C2 | C77 | H40 | 60.0° | 165.9° |
| C2 | C4 | N5 | H46 | 0.3° | 0.1° |
| C9 | C12 | C14 | H2 | 117.2° | 120.0° |
| C9 | C12 | C14 | C17 | 162.9° | 179.9° |
| C9 | C12 | C14 | H3 | 42.0° | 60.1° |
| C9 | C12 | C14 | H4 | 76.2° | 59.8° |
| C9 | C12 | C40 | H19 | 180.0° | 100.8° |
| C9 | C12 | C40 | H20 | 60.0° | 19.2° |
| C9 | C12 | C40 | H21 | 60.0° | 139.3° |
| C12 | C9 | C7 | H34 | 65.8° | 154.7° |
| C12 | C9 | H44 | H45 | 117.3° | 120.0° |
| C77 | C2 | N1 | H1 | 117.4° | 120.3° |
| C77 | C2 | N1 | C81 | 86.2° | 143.4° |
| C77 | C2 | N1 | C38 | 92.3° | 36.6° |
| C2 | C77 | H38 | H39 | 120.0° | 120.0° |
| C2 | C77 | H38 | H40 | 120.0° | 119.9° |
| C2 | C77 | H39 | H40 | 120.0° | 120.0° |
| C12 | C14 | C17 | H3 | 120.9° | 120.0° |
| C12 | C14 | C17 | H4 | 120.9° | 120.0° |
| C12 | C14 | C17 | C20 | 53.4° | 120.1° |
| C12 | C14 | H3 | H4 | 117.2° | 119.9° |
| C12 | C14 | C17 | H5 | 174.1° | 0.1° |
| C12 | C14 | C17 | H6 | 67.4° | 119.9° |
| C14 | C12 | C40 | H19 | 55.2° | 19.3° |
| C14 | C12 | C40 | H20 | 64.8° | 139.3° |
| C14 | C12 | C40 | H21 | 175.2° | 100.7° |
| C14 | C12 | C9 | H44 | 57.5° | 41.2° |
| C14 | C12 | C9 | H45 | 60.8° | 78.7° |
| C2 | N1 | C81 | C38 | 178.5° | 180.0° |
| C2 | N1 | C38 | O39 | 2.0° | 0.1° |
| C2 | N1 | C38 | C35 | 178.6° | 180.0° |
| N1 | C2 | C77 | H38 | 54.4° | 45.1° |
| N1 | C2 | C77 | H39 | 65.6° | 165.1° |
| N1 | C2 | C77 | H40 | 174.4° | 74.8° |
| C2 | N1 | C81 | H41 | 180.0° | 90.0° |
| C2 | N1 | C81 | H42 | 60.0° | 150.0° |
| C2 | N1 | C81 | H43 | 60.0° | 30.0° |
| C14 | C17 | C20 | H5 | 120.8° | 120.0° |
| C14 | C17 | C20 | H6 | 120.8° | 120.0° |
| C14 | C17 | C20 | C23 | 81.5° | 125.2° |
| C17 | C14 | C12 | H2 | 45.7° | 60.2° |
| C17 | C14 | H3 | H4 | 117.2° | 120.0° |
| C14 | C17 | H5 | H6 | 117.7° | 120.1° |
| C14 | C17 | C20 | H7 | 157.7° | 114.8° |
| C14 | C17 | C20 | H8 | 39.1° | 5.2° |
| C81 | N1 | C38 | O39 | 179.6° | 179.9° |
| C81 | N1 | C38 | C35 | 3.0° | 0.0° |
| C81 | N1 | C2 | H1 | 156.4° | 23.1° |
| N1 | C81 | H41 | H42 | 120.1° | 120.0° |
| N1 | C81 | H41 | H43 | 120.0° | 120.0° |
| N1 | C81 | H42 | H43 | 120.0° | 120.0° |
| N1 | C38 | O39 | C35 | 176.5° | 180.0° |
| N1 | C38 | C35 | C32 | 92.6° | 174.8° |
| C38 | N1 | C2 | H1 | 25.1° | 156.9° |
| N1 | C38 | C35 | H17 | 27.6° | 65.1° |
| N1 | C38 | C35 | H18 | 147.2° | 54.9° |
| C38 | N1 | C81 | H41 | 1.5° | 90.0° |
| C38 | N1 | C81 | H42 | 121.6° | 30.0° |
| C38 | N1 | C81 | H43 | 118.5° | 150.0° |
| C17 | C20 | C23 | H7 | 120.7° | 120.0° |
| C17 | C20 | C23 | H8 | 120.7° | 120.0° |
| C17 | C20 | C23 | C26 | 163.2° | 133.2° |
| C20 | C17 | C14 | H3 | 67.5° | 119.9° |
| C20 | C17 | C14 | H4 | 174.3° | 0.1° |
| C20 | C17 | H5 | H6 | 117.6° | 120.0° |
| C17 | C20 | H7 | H8 | 117.8° | 120.0° |
| C17 | C20 | C23 | H9 | 76.1° | 13.3° |
| C17 | C20 | C23 | H10 | 42.6° | 106.8° |
| C20 | C23 | C26 | H9 | 120.7° | 120.0° |
| C20 | C23 | C26 | H10 | 120.6° | 120.1° |
| C20 | C23 | C26 | C29 | 31.9° | 152.1° |
| C23 | C20 | C17 | H5 | 39.2° | 5.2° |
| C23 | C20 | C17 | H6 | 157.7° | 114.7° |
| C23 | C20 | H7 | H8 | 117.8° | 119.9° |
| C20 | C23 | H9 | H10 | 118.0° | 120.1° |
| C20 | C23 | C26 | H11 | 152.5° | 87.9° |
| C20 | C23 | C26 | H12 | 88.7° | 32.0° |
| O39 | C38 | C35 | C32 | 84.1° | 5.2° |
| O39 | C38 | C35 | H17 | 155.7° | 114.9° |
| O39 | C38 | C35 | H18 | 36.1° | 125.1° |
| C38 | C35 | C32 | H17 | 120.2° | 120.1° |
| C38 | C35 | C32 | H18 | 120.2° | 120.0° |
| C38 | C35 | C32 | C29 | 150.6° | 104.4° |
| C38 | C35 | C32 | H15 | 88.6° | 135.5° |
| C38 | C35 | C32 | H16 | 29.9° | 15.6° |
| C38 | C35 | H17 | H18 | 119.4° | 120.0° |
| C35 | C32 | C29 | H15 | 120.7° | 120.1° |
| C35 | C32 | C29 | H16 | 120.7° | 120.0° |
| C35 | C32 | C29 | C26 | 173.9° | 126.1° |
| C35 | C32 | C29 | H13 | 53.4° | 6.1° |
| C35 | C32 | C29 | H14 | 65.6° | 113.8° |
| C35 | C32 | H15 | H16 | 117.7° | 120.0° |
| C32 | C35 | H17 | H18 | 119.4° | 119.9° |
| C23 | C26 | C29 | C32 | 75.2° | 149.8° |
| C23 | C26 | C29 | H11 | 120.6° | 120.0° |
| C23 | C26 | C29 | H12 | 120.6° | 120.1° |
| C26 | C23 | C20 | H7 | 42.5° | 106.8° |
| C26 | C23 | C20 | H8 | 76.1° | 13.2° |
| C26 | C23 | H9 | H10 | 117.9° | 119.9° |
| C23 | C26 | H11 | H12 | 118.2° | 120.0° |
| C23 | C26 | C29 | H13 | 45.3° | 29.8° |
| C23 | C26 | C29 | H14 | 164.3° | 90.1° |
| C32 | C29 | C26 | H13 | 120.5° | 120.0° |
| C32 | C29 | C26 | H14 | 120.5° | 120.1° |
| C32 | C29 | C26 | H11 | 45.4° | 90.2° |
| C32 | C29 | C26 | H12 | 164.2° | 29.7° |
| C32 | C29 | H13 | H14 | 118.5° | 120.0° |
| C29 | C32 | H15 | H16 | 117.7° | 119.9° |
| C29 | C32 | C35 | H17 | 30.4° | 15.6° |
| C29 | C32 | C35 | H18 | 89.2° | 135.6° |
| C29 | C26 | C23 | H9 | 88.8° | 32.1° |
| C29 | C26 | C23 | H10 | 152.5° | 87.9° |
| C29 | C26 | H11 | H12 | 118.2° | 120.0° |
| C26 | C29 | H13 | H14 | 118.4° | 120.0° |
| C26 | C29 | C32 | H15 | 65.4° | 113.8° |
| C26 | C29 | C32 | H16 | 53.2° | 6.1° |
| H1 | C2 | C77 | H38 | 63.4° | 165.4° |
| H1 | C2 | C77 | H39 | 176.6° | 74.5° |
| H1 | C2 | C77 | H40 | 56.6° | 45.5° |
| H2 | C12 | C14 | H3 | 75.2° | 59.9° |
| H2 | C12 | C14 | H4 | 166.6° | 179.8° |
| H2 | C12 | C40 | H19 | 62.4° | 139.2° |
| H2 | C12 | C40 | H20 | 177.6° | 100.8° |
| H2 | C12 | C40 | H21 | 57.6° | 19.3° |
| H2 | C12 | C9 | H44 | 59.6° | 161.2° |
| H2 | C12 | C9 | H45 | 177.9° | 41.2° |
| H3 | C14 | C17 | H5 | 53.2° | 120.1° |
| H3 | C14 | C17 | H6 | 171.7° | 0.1° |
| H4 | C14 | C17 | H5 | 65.0° | 119.9° |
| H4 | C14 | C17 | H6 | 53.5° | 120.1° |
| H5 | C17 | C20 | H7 | 81.5° | 125.2° |
| H5 | C17 | C20 | H8 | 159.9° | 114.7° |
| H6 | C17 | C20 | H7 | 37.0° | 5.2° |
| H6 | C17 | C20 | H8 | 81.6° | 125.3° |
| H7 | C20 | C23 | H9 | 163.1° | 133.3° |
| H7 | C20 | C23 | H10 | 78.1° | 13.2° |
| H8 | C20 | C23 | H9 | 44.5° | 106.7° |
| H8 | C20 | C23 | H10 | 163.3° | 133.2° |
| H9 | C23 | C26 | H11 | 31.8° | 152.1° |
| H9 | C23 | C26 | H12 | 150.6° | 87.9° |
| H10 | C23 | C26 | H11 | 86.9° | 32.1° |
| H10 | C23 | C26 | H12 | 31.9° | 152.1° |
| H11 | C26 | C29 | H13 | 165.9° | 149.8° |
| H11 | C26 | C29 | H14 | 75.1° | 29.9° |
| H12 | C26 | C29 | H13 | 75.3° | 90.3° |
| H12 | C26 | C29 | H14 | 43.7° | 149.8° |
| H13 | C29 | C32 | H15 | 174.1° | 126.2° |
| H13 | C29 | C32 | H16 | 67.3° | 113.9° |
| H14 | C29 | C32 | H15 | 55.1° | 6.2° |
| H14 | C29 | C32 | H16 | 173.7° | 126.2° |
| H15 | C32 | C35 | H17 | 151.2° | 104.4° |
| H15 | C32 | C35 | H18 | 31.6° | 15.6° |
| H16 | C32 | C35 | H17 | 90.3° | 135.6° |
| H16 | C32 | C35 | H18 | 150.1° | 104.4° |
| H19 | C40 | H20 | H21 | 120.0° | 120.0° |
| H22 | C48 | N51 | H47 | 174.4° | 63.9° |
| H23 | C48 | N51 | H47 | 53.6° | 176.1° |
| H24 | C53 | N51 | H47 | 61.8° | 176.1° |
| H25 | C53 | N51 | H47 | 57.3° | 63.9° |
| H27 | C60 | C62 | H28 | 0.1° | 0.2° |
| H28 | C62 | C64 | H29 | 0.4° | 0.2° |
| H30 | C66 | C68 | H31 | 62.9° | 60.0° |
| H30 | C66 | C68 | H32 | 57.2° | 60.0° |
| H30 | C66 | C68 | H33 | 177.2° | 180.0° |
| H30 | C66 | C72 | H35 | 63.0° | 180.0° |
| H30 | C66 | C72 | H36 | 176.9° | 60.0° |
| H30 | C66 | C72 | H37 | 56.9° | 60.0° |
| H31 | C68 | H32 | H33 | 120.0° | 120.0° |
| H34 | C7 | C9 | H44 | 173.3° | 85.2° |
| H34 | C7 | C9 | H45 | 55.0° | 34.7° |
| H34 | C7 | N5 | H46 | 159.5° | 73.8° |
| H35 | C72 | H36 | H37 | 120.0° | 120.1° |
| H38 | C77 | H39 | H40 | 120.0° | 120.0° |
| H41 | C81 | H42 | H43 | 120.0° | 120.0° |
