E5A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C62 | C68 | sing | 1.53Å | 1.53Å | |
| C62 | C64 | sing | 1.53Å | 1.49Å | |
| C62 | C55 | sing | 1.51Å | 1.51Å | |
| C56 | C55 | doub | 1.38Å | 1.39Å | Aromatic |
| C56 | C58 | sing | 1.38Å | 1.39Å | Aromatic |
| C55 | C53 | sing | 1.38Å | 1.39Å | Aromatic |
| C58 | C60 | doub | 1.38Å | 1.39Å | Aromatic |
| C53 | C52 | doub | 1.38Å | 1.39Å | Aromatic |
| C60 | C52 | sing | 1.38Å | 1.39Å | Aromatic |
| C52 | C49 | sing | 1.51Å | 1.52Å | |
| C49 | N47 | sing | 1.47Å | 1.47Å | |
| N47 | C44 | sing | 1.47Å | 1.50Å | |
| O42 | C40 | sing | 1.43Å | 1.43Å | |
| C44 | C40 | sing | 1.53Å | 1.53Å | |
| O72 | C4 | doub | 1.21Å | 1.23Å | |
| C40 | C7 | sing | 1.53Å | 1.54Å | |
| C7 | C9 | sing | 1.53Å | 1.53Å | |
| C7 | N5 | sing | 1.48Å | 1.47Å | |
| C4 | N5 | sing | 1.37Å | 1.34Å | |
| C4 | C2 | sing | 1.51Å | 1.54Å | |
| C20 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C12 | sing | 1.51Å | 1.51Å | |
| C73 | C2 | sing | 1.53Å | 1.52Å | |
| C18 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | N1 | sing | 1.48Å | 1.47Å | |
| C77 | N1 | sing | 1.46Å | 1.47Å | |
| C16 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| N1 | C38 | sing | 1.36Å | 1.35Å | |
| C13 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | O22 | sing | 1.36Å | 1.37Å | |
| C38 | O39 | doub | 1.21Å | 1.22Å | |
| C38 | C35 | sing | 1.51Å | 1.49Å | |
| O22 | C23 | sing | 1.43Å | 1.39Å | |
| C35 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | C29 | sing | 1.53Å | 1.49Å | |
| C23 | C26 | sing | 1.53Å | 1.49Å | |
| C29 | C26 | sing | 1.53Å | 1.48Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C18 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C16 | H4 | sing | 1.08Å | 1.08Å | |
| C20 | H5 | sing | 1.08Å | 1.08Å | |
| C23 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C29 | H10 | sing | 1.09Å | 1.10Å | |
| C29 | H11 | sing | 1.09Å | 1.10Å | |
| C32 | H12 | sing | 1.09Å | 1.10Å | |
| C32 | H13 | sing | 1.09Å | 1.10Å | |
| C35 | H14 | sing | 1.09Å | 1.10Å | |
| C35 | H15 | sing | 1.09Å | 1.10Å | |
| C40 | H16 | sing | 1.09Å | 1.10Å | |
| C44 | H17 | sing | 1.09Å | 1.10Å | |
| C44 | H18 | sing | 1.09Å | 1.10Å | |
| C49 | H19 | sing | 1.09Å | 1.10Å | |
| C49 | H20 | sing | 1.09Å | 1.10Å | |
| C53 | H21 | sing | 1.08Å | 1.08Å | |
| C56 | H22 | sing | 1.08Å | 1.08Å | |
| C58 | H23 | sing | 1.08Å | 1.08Å | |
| C60 | H24 | sing | 1.08Å | 1.08Å | |
| C62 | H25 | sing | 1.09Å | 1.10Å | |
| C64 | H26 | sing | 1.09Å | 1.10Å | |
| C64 | H27 | sing | 1.09Å | 1.10Å | |
| C64 | H28 | sing | 1.09Å | 1.10Å | |
| C68 | H29 | sing | 1.09Å | 1.10Å | |
| C68 | H30 | sing | 1.09Å | 1.10Å | |
| C68 | H31 | sing | 1.09Å | 1.10Å | |
| C7 | H32 | sing | 1.09Å | 1.10Å | |
| C73 | H33 | sing | 1.09Å | 1.10Å | |
| C73 | H34 | sing | 1.09Å | 1.10Å | |
| C73 | H35 | sing | 1.09Å | 1.10Å | |
| C77 | H36 | sing | 1.09Å | 1.10Å | |
| C77 | H37 | sing | 1.09Å | 1.10Å | |
| C77 | H38 | sing | 1.09Å | 1.10Å | |
| C9 | H39 | sing | 1.09Å | 1.10Å | |
| C9 | H40 | sing | 1.09Å | 1.10Å | |
| N47 | H41 | sing | 1.01Å | 1.00Å | |
| N5 | H43 | sing | 0.97Å | 1.00Å | |
| O42 | H44 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C68 | C62 | C64 | 109.7° | 109.5° |
| C68 | C62 | C55 | 112.0° | 109.4° |
| C68 | C62 | H25 | 107.7° | 109.5° |
| C62 | C68 | H29 | 109.5° | 109.5° |
| C62 | C68 | H30 | 109.5° | 109.5° |
| C62 | C68 | H31 | 109.4° | 109.4° |
| C64 | C62 | C55 | 111.3° | 109.4° |
| C64 | C62 | H25 | 108.1° | 109.5° |
| C62 | C64 | H26 | 109.5° | 109.4° |
| C62 | C64 | H27 | 109.4° | 109.5° |
| C62 | C64 | H28 | 109.5° | 109.5° |
| C62 | C55 | C56 | 120.7° | 120.0° |
| C62 | C55 | C53 | 120.7° | 120.0° |
| C55 | C62 | H25 | 107.9° | 109.4° |
| C55 | C56 | C58 | 120.4° | 120.1° |
| C56 | C55 | C53 | 118.6° | 120.0° |
| C55 | C56 | H22 | 119.8° | 120.0° |
| C56 | C58 | C60 | 120.2° | 120.0° |
| C58 | C56 | H22 | 119.8° | 120.0° |
| C56 | C58 | H23 | 119.9° | 120.0° |
| C55 | C53 | C52 | 122.0° | 120.0° |
| C55 | C53 | H21 | 119.0° | 120.0° |
| C58 | C60 | C52 | 120.5° | 120.0° |
| C60 | C58 | H23 | 119.9° | 120.0° |
| C58 | C60 | H24 | 119.7° | 120.0° |
| C53 | C52 | C60 | 118.3° | 120.0° |
| C53 | C52 | C49 | 120.6° | 120.0° |
| C52 | C53 | H21 | 119.0° | 120.0° |
| C60 | C52 | C49 | 121.1° | 120.0° |
| C52 | C60 | H24 | 119.8° | 120.1° |
| C52 | C49 | N47 | 113.4° | 109.4° |
| C52 | C49 | H19 | 108.5° | 109.5° |
| C52 | C49 | H20 | 108.5° | 109.5° |
| C49 | N47 | C44 | 112.8° | 111.0° |
| N47 | C49 | H19 | 108.5° | 109.5° |
| N47 | C49 | H20 | 108.5° | 109.4° |
| C49 | N47 | H41 | 108.6° | 111.0° |
| N47 | C44 | C40 | 110.5° | 109.5° |
| N47 | C44 | H17 | 109.2° | 109.4° |
| N47 | C44 | H18 | 109.2° | 109.5° |
| C44 | N47 | H41 | 108.6° | 111.0° |
| O42 | C40 | C44 | 109.2° | 109.5° |
| O42 | C40 | C7 | 108.7° | 109.5° |
| O42 | C40 | H16 | 109.4° | 109.4° |
| C40 | O42 | H44 | 109.5° | 114.0° |
| C44 | C40 | C7 | 113.3° | 109.5° |
| C44 | C40 | H16 | 108.1° | 109.5° |
| C40 | C44 | H17 | 109.2° | 109.5° |
| C40 | C44 | H18 | 109.2° | 109.5° |
| O72 | C4 | N5 | 122.4° | 120.7° |
| O72 | C4 | C2 | 120.5° | 120.7° |
| C40 | C7 | C9 | 109.2° | 109.6° |
| C40 | C7 | N5 | 111.5° | 109.6° |
| C7 | C40 | H16 | 108.0° | 109.5° |
| C40 | C7 | H32 | 108.2° | 109.6° |
| C9 | C7 | N5 | 110.6° | 108.6° |
| C7 | C9 | C12 | 115.2° | 109.4° |
| C9 | C7 | H32 | 108.2° | 109.7° |
| C7 | C9 | H39 | 108.1° | 109.5° |
| C7 | C9 | H40 | 108.0° | 109.5° |
| C7 | N5 | C4 | 120.9° | 114.4° |
| N5 | C7 | H32 | 109.0° | 109.6° |
| C7 | N5 | H43 | 119.6° | 122.8° |
| N5 | C4 | C2 | 117.1° | 118.5° |
| C4 | N5 | H43 | 119.6° | 122.8° |
| C4 | C2 | C73 | 111.5° | 109.7° |
| C4 | C2 | N1 | 111.2° | 108.8° |
| C4 | C2 | H1 | 106.9° | 109.5° |
| C18 | C20 | C12 | 120.8° | 120.1° |
| C20 | C18 | C16 | 120.4° | 120.1° |
| C20 | C18 | H2 | 119.8° | 119.9° |
| C18 | C20 | H5 | 119.6° | 120.0° |
| C20 | C12 | C9 | 121.6° | 120.0° |
| C20 | C12 | C13 | 118.7° | 120.1° |
| C12 | C20 | H5 | 119.6° | 120.0° |
| C9 | C12 | C13 | 119.6° | 119.9° |
| C12 | C9 | H39 | 108.0° | 109.5° |
| C12 | C9 | H40 | 108.0° | 109.5° |
| C73 | C2 | N1 | 112.1° | 109.6° |
| C73 | C2 | H1 | 107.1° | 109.6° |
| C2 | C73 | H33 | 109.5° | 109.4° |
| C2 | C73 | H34 | 109.4° | 109.5° |
| C2 | C73 | H35 | 109.5° | 109.4° |
| C18 | C16 | C15 | 118.8° | 119.9° |
| C16 | C18 | H2 | 119.8° | 120.0° |
| C18 | C16 | H4 | 120.6° | 120.0° |
| C12 | C13 | C15 | 120.3° | 119.9° |
| C12 | C13 | H3 | 119.8° | 120.1° |
| C2 | N1 | C77 | 117.8° | 122.0° |
| C2 | N1 | C38 | 117.9° | 116.1° |
| N1 | C2 | H1 | 107.7° | 109.6° |
| C77 | N1 | C38 | 124.3° | 121.9° |
| N1 | C77 | H36 | 109.5° | 109.5° |
| N1 | C77 | H37 | 109.5° | 109.5° |
| N1 | C77 | H38 | 109.5° | 109.4° |
| C16 | C15 | C13 | 121.0° | 119.9° |
| C16 | C15 | O22 | 127.1° | 120.1° |
| C15 | C16 | H4 | 120.6° | 120.1° |
| N1 | C38 | O39 | 121.7° | 120.5° |
| N1 | C38 | C35 | 118.3° | 119.0° |
| C13 | C15 | O22 | 112.0° | 120.0° |
| C15 | C13 | H3 | 119.8° | 120.0° |
| C15 | O22 | C23 | 118.2° | 116.9° |
| O39 | C38 | C35 | 120.0° | 120.5° |
| C38 | C35 | C32 | 110.1° | 109.5° |
| C38 | C35 | H14 | 109.3° | 109.5° |
| C38 | C35 | H15 | 109.3° | 109.5° |
| O22 | C23 | C26 | 106.9° | 109.5° |
| O22 | C23 | H6 | 110.1° | 109.5° |
| O22 | C23 | H7 | 110.1° | 109.5° |
| C35 | C32 | C29 | 112.1° | 109.5° |
| C35 | C32 | H12 | 108.8° | 109.5° |
| C35 | C32 | H13 | 108.8° | 109.5° |
| C32 | C35 | H14 | 109.3° | 109.4° |
| C32 | C35 | H15 | 109.3° | 109.5° |
| C32 | C29 | C26 | 112.5° | 109.5° |
| C32 | C29 | H10 | 108.7° | 109.5° |
| C32 | C29 | H11 | 108.7° | 109.5° |
| C29 | C32 | H12 | 108.8° | 109.5° |
| C29 | C32 | H13 | 108.8° | 109.5° |
| C23 | C26 | C29 | 110.2° | 109.4° |
| C26 | C23 | H6 | 110.1° | 109.5° |
| C26 | C23 | H7 | 110.1° | 109.5° |
| C23 | C26 | H8 | 109.3° | 109.4° |
| C23 | C26 | H9 | 109.3° | 109.5° |
| C29 | C26 | H8 | 109.3° | 109.5° |
| C29 | C26 | H9 | 109.3° | 109.5° |
| C26 | C29 | H10 | 108.7° | 109.4° |
| C26 | C29 | H11 | 108.7° | 109.5° |
| H6 | C23 | H7 | 109.5° | 109.5° |
| H8 | C26 | H9 | 109.5° | 109.5° |
| H10 | C29 | H11 | 109.5° | 109.4° |
| H12 | C32 | H13 | 109.5° | 109.4° |
| H14 | C35 | H15 | 109.4° | 109.5° |
| H17 | C44 | H18 | 109.5° | 109.5° |
| H19 | C49 | H20 | 109.5° | 109.5° |
| H26 | C64 | H27 | 109.5° | 109.5° |
| H26 | C64 | H28 | 109.5° | 109.5° |
| H27 | C64 | H28 | 109.5° | 109.5° |
| H29 | C68 | H30 | 109.5° | 109.5° |
| H29 | C68 | H31 | 109.5° | 109.4° |
| H30 | C68 | H31 | 109.5° | 109.4° |
| H33 | C73 | H34 | 109.5° | 109.5° |
| H33 | C73 | H35 | 109.5° | 109.5° |
| H34 | C73 | H35 | 109.5° | 109.5° |
| H36 | C77 | H37 | 109.5° | 109.5° |
| H36 | C77 | H38 | 109.5° | 109.5° |
| H37 | C77 | H38 | 109.5° | 109.5° |
| H39 | C9 | H40 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C68 | C62 | C64 | C55 | 124.5° | 120.0° |
| C68 | C62 | C64 | H25 | 117.2° | 120.1° |
| C68 | C62 | C55 | H25 | 118.3° | 120.0° |
| C68 | C62 | C55 | C56 | 141.2° | 60.0° |
| C68 | C62 | C55 | C53 | 39.1° | 120.0° |
| C68 | C62 | C64 | H26 | 180.0° | 60.0° |
| C68 | C62 | C64 | H27 | 60.0° | 180.0° |
| C68 | C62 | C64 | H28 | 60.0° | 59.9° |
| C62 | C68 | H29 | H30 | 120.0° | 120.1° |
| C62 | C68 | H29 | H31 | 120.0° | 119.9° |
| C62 | C68 | H30 | H31 | 120.0° | 119.9° |
| C64 | C62 | C55 | H25 | 118.5° | 120.0° |
| C64 | C62 | C55 | C56 | 95.6° | 60.0° |
| C64 | C62 | C55 | C53 | 84.1° | 120.0° |
| C62 | C64 | H26 | H27 | 120.0° | 120.0° |
| C62 | C64 | H26 | H28 | 120.0° | 120.0° |
| C62 | C64 | H27 | H28 | 120.0° | 120.1° |
| C64 | C62 | C68 | H29 | 180.0° | 59.9° |
| C64 | C62 | C68 | H30 | 60.0° | 180.0° |
| C64 | C62 | C68 | H31 | 60.0° | 60.0° |
| C62 | C55 | C56 | C53 | 179.7° | 179.9° |
| C62 | C55 | C56 | C58 | 179.5° | 180.0° |
| C62 | C55 | C53 | C52 | 179.8° | 179.9° |
| C62 | C55 | C53 | H21 | 0.2° | 0.1° |
| C62 | C55 | C56 | H22 | 0.5° | 0.0° |
| C55 | C62 | C64 | H26 | 55.5° | 180.0° |
| C55 | C62 | C64 | H27 | 64.5° | 60.0° |
| C55 | C62 | C64 | H28 | 175.5° | 60.0° |
| C55 | C62 | C68 | H29 | 55.9° | 60.0° |
| C55 | C62 | C68 | H30 | 175.9° | 60.1° |
| C55 | C62 | C68 | H31 | 64.1° | 180.0° |
| C55 | C56 | C58 | H22 | 180.0° | 180.0° |
| C55 | C56 | C58 | C60 | 0.2° | 0.2° |
| C56 | C55 | C53 | C52 | 0.1° | 0.0° |
| C56 | C55 | C53 | H21 | 179.9° | 180.0° |
| C55 | C56 | C58 | H23 | 179.8° | 180.0° |
| C56 | C55 | C62 | H25 | 22.9° | 179.9° |
| C58 | C56 | C55 | C53 | 0.2° | 0.1° |
| C56 | C58 | C60 | H23 | 180.0° | 179.9° |
| C56 | C58 | C60 | C52 | 0.1° | 0.5° |
| C56 | C58 | C60 | H24 | 179.9° | 180.0° |
| C55 | C53 | C52 | H21 | 180.0° | 180.0° |
| C55 | C53 | C52 | C60 | 0.4° | 0.3° |
| C55 | C53 | C52 | C49 | 179.8° | 180.0° |
| C53 | C55 | C56 | H22 | 179.8° | 179.9° |
| C53 | C55 | C62 | H25 | 157.4° | 0.0° |
| C58 | C60 | C52 | C53 | 0.4° | 0.5° |
| C58 | C60 | C52 | H24 | 180.0° | 179.6° |
| C58 | C60 | C52 | C49 | 179.8° | 179.8° |
| C60 | C58 | C56 | H22 | 179.8° | 179.9° |
| C53 | C52 | C60 | C49 | 179.4° | 179.7° |
| C53 | C52 | C49 | N47 | 60.4° | 90.0° |
| C53 | C52 | C49 | H19 | 179.0° | 150.0° |
| C53 | C52 | C49 | H20 | 60.2° | 29.9° |
| C53 | C52 | C60 | H24 | 179.6° | 179.9° |
| C60 | C52 | C49 | N47 | 119.0° | 90.3° |
| C60 | C52 | C49 | H19 | 1.6° | 29.7° |
| C60 | C52 | C49 | H20 | 120.4° | 149.7° |
| C60 | C52 | C53 | H21 | 179.7° | 179.7° |
| C52 | C60 | C58 | H23 | 179.9° | 179.7° |
| C52 | C49 | N47 | H19 | 120.6° | 120.0° |
| C52 | C49 | N47 | H20 | 120.6° | 120.0° |
| C52 | C49 | N47 | C44 | 64.4° | 180.0° |
| C52 | C49 | H19 | H20 | 118.2° | 120.1° |
| C49 | C52 | C53 | H21 | 0.2° | 0.0° |
| C49 | C52 | C60 | H24 | 0.2° | 0.3° |
| C52 | C49 | N47 | H41 | 175.1° | 56.0° |
| C49 | N47 | C44 | H41 | 120.5° | 124.0° |
| C49 | N47 | C44 | C40 | 163.8° | 180.0° |
| C49 | N47 | C44 | H17 | 43.6° | 60.0° |
| C49 | N47 | C44 | H18 | 76.1° | 60.0° |
| N47 | C49 | H19 | H20 | 118.2° | 120.0° |
| N47 | C44 | C40 | O42 | 51.9° | 38.0° |
| N47 | C44 | C40 | H17 | 120.2° | 119.9° |
| N47 | C44 | C40 | H18 | 120.1° | 120.0° |
| N47 | C44 | C40 | C7 | 173.2° | 158.0° |
| N47 | C44 | C40 | H16 | 67.1° | 82.0° |
| N47 | C44 | H17 | H18 | 119.5° | 120.0° |
| C44 | N47 | C49 | H19 | 56.2° | 60.0° |
| C44 | N47 | C49 | H20 | 175.0° | 60.0° |
| O42 | C40 | C44 | C7 | 121.3° | 120.0° |
| O42 | C40 | C44 | H16 | 119.0° | 120.0° |
| O42 | C40 | C7 | H16 | 118.7° | 120.0° |
| O42 | C40 | C7 | C9 | 52.7° | 38.8° |
| O42 | C40 | C7 | N5 | 175.3° | 157.9° |
| O42 | C40 | C44 | H17 | 68.3° | 157.9° |
| O42 | C40 | C44 | H18 | 172.0° | 82.0° |
| O42 | C40 | C7 | H32 | 64.8° | 81.7° |
| C44 | C40 | C7 | H16 | 119.7° | 120.1° |
| C44 | C40 | C7 | C9 | 174.4° | 158.8° |
| C44 | C40 | C7 | N5 | 63.1° | 82.1° |
| C40 | C44 | H17 | H18 | 119.5° | 120.1° |
| C44 | C40 | C7 | H32 | 56.8° | 38.3° |
| C40 | C44 | N47 | H41 | 75.8° | 56.0° |
| C44 | C40 | O42 | H44 | 180.0° | 60.0° |
| O72 | C4 | N5 | C7 | 0.1° | 0.0° |
| O72 | C4 | N5 | C2 | 179.9° | 179.9° |
| O72 | C4 | C2 | C73 | 4.8° | 169.6° |
| O72 | C4 | C2 | N1 | 121.2° | 70.4° |
| O72 | C4 | C2 | H1 | 121.5° | 49.3° |
| O72 | C4 | N5 | H43 | 179.9° | 180.0° |
| C40 | C7 | C9 | N5 | 123.1° | 119.8° |
| C40 | C7 | C9 | H32 | 117.5° | 120.4° |
| C40 | C7 | N5 | H32 | 119.4° | 120.3° |
| C40 | C7 | N5 | C4 | 99.3° | 63.9° |
| C40 | C7 | C9 | C12 | 168.2° | 21.2° |
| C7 | C40 | C44 | H17 | 53.1° | 82.1° |
| C7 | C40 | C44 | H18 | 66.6° | 38.0° |
| C40 | C7 | C9 | H39 | 47.4° | 141.2° |
| C40 | C7 | C9 | H40 | 70.9° | 98.8° |
| C40 | C7 | N5 | H43 | 80.8° | 116.0° |
| C7 | C40 | O42 | H44 | 55.9° | 60.0° |
| C9 | C7 | N5 | H32 | 118.9° | 119.9° |
| C9 | C7 | N5 | C4 | 139.0° | 176.3° |
| C7 | C9 | C12 | C20 | 65.3° | 129.9° |
| C7 | C9 | C12 | H39 | 120.9° | 119.9° |
| C7 | C9 | C12 | H40 | 120.8° | 120.0° |
| C7 | C9 | C12 | C13 | 116.4° | 50.0° |
| C9 | C7 | C40 | H16 | 65.9° | 81.2° |
| C7 | C9 | H39 | H40 | 117.4° | 120.1° |
| C9 | C7 | N5 | H43 | 41.0° | 3.7° |
| C7 | N5 | C4 | H43 | 180.0° | 180.0° |
| C7 | N5 | C4 | C2 | 179.8° | 180.0° |
| N5 | C7 | C9 | C12 | 45.1° | 98.5° |
| N5 | C7 | C40 | H16 | 56.6° | 38.0° |
| N5 | C7 | C9 | H39 | 75.7° | 21.4° |
| N5 | C7 | C9 | H40 | 166.0° | 141.4° |
| N5 | C4 | C2 | C73 | 175.1° | 10.4° |
| N5 | C4 | C2 | N1 | 58.9° | 109.5° |
| N5 | C4 | C2 | H1 | 58.4° | 130.8° |
| C4 | N5 | C7 | H32 | 20.1° | 56.4° |
| C4 | C2 | C73 | N1 | 125.5° | 119.4° |
| C4 | C2 | C73 | H1 | 116.6° | 120.3° |
| C4 | C2 | N1 | H1 | 116.8° | 119.7° |
| C4 | C2 | N1 | C77 | 39.4° | 103.1° |
| C4 | C2 | N1 | C38 | 142.1° | 76.9° |
| C4 | C2 | C73 | H33 | 180.0° | 47.0° |
| C4 | C2 | C73 | H34 | 60.0° | 73.0° |
| C4 | C2 | C73 | H35 | 60.0° | 166.9° |
| C2 | C4 | N5 | H43 | 0.2° | 0.0° |
| C18 | C20 | C12 | H5 | 180.0° | 180.0° |
| C18 | C20 | C12 | C9 | 179.6° | 179.9° |
| C20 | C18 | C16 | H2 | 180.0° | 180.0° |
| C18 | C20 | C12 | C13 | 1.2° | 0.0° |
| C20 | C18 | C16 | C15 | 0.4° | 0.1° |
| C20 | C18 | C16 | H4 | 179.6° | 180.0° |
| C20 | C12 | C9 | C13 | 178.3° | 180.0° |
| C12 | C20 | C18 | C16 | 1.0° | 0.0° |
| C20 | C12 | C13 | C15 | 0.9° | 0.1° |
| C12 | C20 | C18 | H2 | 179.0° | 180.0° |
| C20 | C12 | C13 | H3 | 179.1° | 180.0° |
| C20 | C12 | C9 | H39 | 173.8° | 110.1° |
| C20 | C12 | C9 | H40 | 55.5° | 9.9° |
| C9 | C12 | C13 | C15 | 179.3° | 179.9° |
| C9 | C12 | C13 | H3 | 0.7° | 0.1° |
| C9 | C12 | C20 | H5 | 0.4° | 0.1° |
| C12 | C9 | C7 | H32 | 74.2° | 141.6° |
| C12 | C9 | H39 | H40 | 117.4° | 120.1° |
| C73 | C2 | N1 | H1 | 117.6° | 120.3° |
| C73 | C2 | N1 | C77 | 86.2° | 136.9° |
| C73 | C2 | N1 | C38 | 92.3° | 43.1° |
| C2 | C73 | H33 | H34 | 120.0° | 120.0° |
| C2 | C73 | H33 | H35 | 120.0° | 119.9° |
| C2 | C73 | H34 | H35 | 120.0° | 120.0° |
| C18 | C16 | C15 | H4 | 180.0° | 179.9° |
| C18 | C16 | C15 | C13 | 0.1° | 0.0° |
| C18 | C16 | C15 | O22 | 178.8° | 179.9° |
| C16 | C18 | C20 | H5 | 179.0° | 180.0° |
| C12 | C13 | C15 | C16 | 0.4° | 0.0° |
| C12 | C13 | C15 | H3 | 180.0° | 180.0° |
| C12 | C13 | C15 | O22 | 179.3° | 180.0° |
| C13 | C12 | C20 | H5 | 178.8° | 179.9° |
| C13 | C12 | C9 | H39 | 4.5° | 69.9° |
| C13 | C12 | C9 | H40 | 122.8° | 170.0° |
| C2 | N1 | C77 | C38 | 178.3° | 180.0° |
| C2 | N1 | C38 | O39 | 0.9° | 0.0° |
| C2 | N1 | C38 | C35 | 178.9° | 179.9° |
| N1 | C2 | C73 | H33 | 54.5° | 72.4° |
| N1 | C2 | C73 | H34 | 65.5° | 167.6° |
| N1 | C2 | C73 | H35 | 174.5° | 47.5° |
| C2 | N1 | C77 | H36 | 180.0° | 90.0° |
| C2 | N1 | C77 | H37 | 60.0° | 150.0° |
| C2 | N1 | C77 | H38 | 60.0° | 30.0° |
| C77 | N1 | C38 | O39 | 179.3° | 180.0° |
| C77 | N1 | C38 | C35 | 2.7° | 0.1° |
| C77 | N1 | C2 | H1 | 156.3° | 16.6° |
| N1 | C77 | H36 | H37 | 120.0° | 120.0° |
| N1 | C77 | H36 | H38 | 120.0° | 120.0° |
| N1 | C77 | H37 | H38 | 120.0° | 120.0° |
| C16 | C15 | C13 | O22 | 178.9° | 180.0° |
| C16 | C15 | O22 | C23 | 35.6° | 149.7° |
| C15 | C16 | C18 | H2 | 179.6° | 179.9° |
| C16 | C15 | C13 | H3 | 179.6° | 180.0° |
| N1 | C38 | O39 | C35 | 178.0° | 180.0° |
| N1 | C38 | C35 | C32 | 85.5° | 160.1° |
| C38 | N1 | C2 | H1 | 25.3° | 163.4° |
| N1 | C38 | C35 | H14 | 34.6° | 79.9° |
| N1 | C38 | C35 | H15 | 154.3° | 40.1° |
| C38 | N1 | C77 | H36 | 1.7° | 90.0° |
| C38 | N1 | C77 | H37 | 121.7° | 30.0° |
| C38 | N1 | C77 | H38 | 118.3° | 150.0° |
| C13 | C15 | O22 | C23 | 145.5° | 30.3° |
| C13 | C15 | C16 | H4 | 179.9° | 180.0° |
| C15 | O22 | C23 | C26 | 127.6° | 133.5° |
| O22 | C15 | C13 | H3 | 0.7° | 0.1° |
| O22 | C15 | C16 | H4 | 1.2° | 0.0° |
| C15 | O22 | C23 | H6 | 112.7° | 106.5° |
| C15 | O22 | C23 | H7 | 8.1° | 13.5° |
| O39 | C38 | C35 | C32 | 92.5° | 19.8° |
| O39 | C38 | C35 | H14 | 147.4° | 100.1° |
| O39 | C38 | C35 | H15 | 27.6° | 139.9° |
| C38 | C35 | C32 | H14 | 120.1° | 120.0° |
| C38 | C35 | C32 | H15 | 120.1° | 120.0° |
| C38 | C35 | C32 | C29 | 176.7° | 100.1° |
| C38 | C35 | C32 | H12 | 62.9° | 139.8° |
| C38 | C35 | C32 | H13 | 56.3° | 19.9° |
| C38 | C35 | H14 | H15 | 119.7° | 120.0° |
| O22 | C23 | C26 | H6 | 119.6° | 120.0° |
| O22 | C23 | C26 | H7 | 119.6° | 120.0° |
| O22 | C23 | C26 | C29 | 111.7° | 153.5° |
| O22 | C23 | H6 | H7 | 121.2° | 120.0° |
| O22 | C23 | C26 | H8 | 8.4° | 33.5° |
| O22 | C23 | C26 | H9 | 128.2° | 86.5° |
| C35 | C32 | C29 | H12 | 120.4° | 120.0° |
| C35 | C32 | C29 | H13 | 120.4° | 120.0° |
| C35 | C32 | C29 | C26 | 159.0° | 101.3° |
| C35 | C32 | C29 | H10 | 38.6° | 18.7° |
| C35 | C32 | C29 | H11 | 80.5° | 138.7° |
| C35 | C32 | H12 | H13 | 118.8° | 119.9° |
| C32 | C35 | H14 | H15 | 119.7° | 120.0° |
| C32 | C29 | C26 | C23 | 83.3° | 116.5° |
| C32 | C29 | C26 | H10 | 120.4° | 120.1° |
| C32 | C29 | C26 | H11 | 120.5° | 120.0° |
| C32 | C29 | C26 | H8 | 36.8° | 123.6° |
| C32 | C29 | C26 | H9 | 156.6° | 3.5° |
| C32 | C29 | H10 | H11 | 118.6° | 120.1° |
| C29 | C32 | H12 | H13 | 118.7° | 120.0° |
| C29 | C32 | C35 | H14 | 56.6° | 19.8° |
| C29 | C32 | C35 | H15 | 63.2° | 139.8° |
| C23 | C26 | C29 | H8 | 120.1° | 120.0° |
| C23 | C26 | C29 | H9 | 120.1° | 120.0° |
| C26 | C23 | H6 | H7 | 121.1° | 120.0° |
| C23 | C26 | H8 | H9 | 119.6° | 120.0° |
| C23 | C26 | C29 | H10 | 37.1° | 3.6° |
| C23 | C26 | C29 | H11 | 156.2° | 123.5° |
| C29 | C26 | C23 | H6 | 128.7° | 33.5° |
| C29 | C26 | C23 | H7 | 7.9° | 86.5° |
| C29 | C26 | H8 | H9 | 119.7° | 120.1° |
| C26 | C29 | H10 | H11 | 118.6° | 119.9° |
| C26 | C29 | C32 | H12 | 80.6° | 138.7° |
| C26 | C29 | C32 | H13 | 38.6° | 18.7° |
| H1 | C2 | C73 | H33 | 63.4° | 167.3° |
| H1 | C2 | C73 | H34 | 176.6° | 47.3° |
| H1 | C2 | C73 | H35 | 56.6° | 72.8° |
| H2 | C18 | C16 | H4 | 0.4° | 0.0° |
| H2 | C18 | C20 | H5 | 1.0° | 0.0° |
| H6 | C23 | C26 | H8 | 111.2° | 86.5° |
| H6 | C23 | C26 | H9 | 8.6° | 153.5° |
| H7 | C23 | C26 | H8 | 128.0° | 153.4° |
| H7 | C23 | C26 | H9 | 112.2° | 33.5° |
| H8 | C26 | C29 | H10 | 157.2° | 116.4° |
| H8 | C26 | C29 | H11 | 83.7° | 3.5° |
| H9 | C26 | C29 | H10 | 83.0° | 123.6° |
| H9 | C26 | C29 | H11 | 36.1° | 116.5° |
| H10 | C29 | C32 | H12 | 159.0° | 101.3° |
| H10 | C29 | C32 | H13 | 81.8° | 138.7° |
| H11 | C29 | C32 | H12 | 39.9° | 18.7° |
| H11 | C29 | C32 | H13 | 159.1° | 101.3° |
| H12 | C32 | C35 | H14 | 177.0° | 100.2° |
| H12 | C32 | C35 | H15 | 57.2° | 19.8° |
| H13 | C32 | C35 | H14 | 63.8° | 139.9° |
| H13 | C32 | C35 | H15 | 176.5° | 100.1° |
| H16 | C40 | C44 | H17 | 172.7° | 37.9° |
| H16 | C40 | C44 | H18 | 53.0° | 158.0° |
| H16 | C40 | C7 | H32 | 176.5° | 158.3° |
| H16 | C40 | O42 | H44 | 61.9° | 179.9° |
| H17 | C44 | N47 | H41 | 164.1° | 63.9° |
| H18 | C44 | N47 | H41 | 44.4° | 176.0° |
| H19 | C49 | N47 | H41 | 64.3° | 176.0° |
| H20 | C49 | N47 | H41 | 54.5° | 64.0° |
| H22 | C56 | C58 | H23 | 0.2° | 0.0° |
| H23 | C58 | C60 | H24 | 0.1° | 0.1° |
| H25 | C62 | C64 | H26 | 62.8° | 60.1° |
| H25 | C62 | C64 | H27 | 177.1° | 59.9° |
| H25 | C62 | C64 | H28 | 57.2° | 180.0° |
| H25 | C62 | C68 | H29 | 62.6° | 180.0° |
| H25 | C62 | C68 | H30 | 57.4° | 59.9° |
| H25 | C62 | C68 | H31 | 177.4° | 60.1° |
| H26 | C64 | H27 | H28 | 120.0° | 120.0° |
| H29 | C68 | H30 | H31 | 120.0° | 120.0° |
| H32 | C7 | C9 | H39 | 164.9° | 98.4° |
| H32 | C7 | C9 | H40 | 46.6° | 21.6° |
| H32 | C7 | N5 | H43 | 159.9° | 123.6° |
| H33 | C73 | H34 | H35 | 120.0° | 120.0° |
| H36 | C77 | H37 | H38 | 120.0° | 120.0° |
