8W3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C67 | C66 | doub | 1.38Å | 1.40Å | Aromatic |
| C67 | C68 | sing | 1.38Å | 1.42Å | Aromatic |
| C66 | C65 | sing | 1.38Å | 1.40Å | Aromatic |
| C68 | C63 | doub | 1.39Å | 1.40Å | Aromatic |
| C65 | C64 | doub | 1.38Å | 1.40Å | Aromatic |
| C63 | C64 | sing | 1.39Å | 1.40Å | Aromatic |
| C63 | O62 | sing | 1.36Å | 1.36Å | |
| O18 | C17 | doub | 1.22Å | 1.19Å | |
| N14 | O62 | sing | 1.42Å | 1.42Å | |
| N14 | C13 | doub | 1.29Å | 1.26Å | |
| C30 | C20 | sing | 1.53Å | 1.54Å | |
| C30 | C35 | sing | 1.53Å | 1.46Å | |
| C20 | C21 | sing | 1.51Å | 1.50Å | |
| C20 | N19 | sing | 1.47Å | 1.46Å | |
| C17 | N19 | sing | 1.35Å | 1.32Å | |
| C17 | N16 | sing | 1.35Å | 1.40Å | |
| C29 | C21 | doub | 1.39Å | 1.41Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C13 | sing | 1.51Å | 1.51Å | |
| C15 | N16 | sing | 1.47Å | 1.47Å | |
| C13 | N12 | sing | 1.38Å | 1.36Å | |
| C21 | C25 | sing | 1.38Å | 1.43Å | Aromatic |
| C28 | C27 | doub | 1.40Å | 1.42Å | Aromatic |
| N16 | C1 | sing | 1.35Å | 1.40Å | |
| N12 | C11 | sing | 1.47Å | 1.42Å | |
| C25 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.40Å | 1.44Å | Aromatic |
| C27 | C31 | sing | 1.47Å | 1.52Å | |
| O32 | C31 | doub | 1.22Å | 1.28Å | |
| C1 | O2 | doub | 1.21Å | 1.22Å | |
| C1 | C3 | sing | 1.51Å | 1.52Å | |
| C26 | N57 | sing | 1.39Å | 1.38Å | |
| C31 | O33 | sing | 1.35Å | 1.27Å | |
| C11 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C24 | O23 | sing | 1.43Å | 1.42Å | |
| O23 | C6 | sing | 1.36Å | 1.37Å | |
| C4 | C5 | sing | 1.51Å | 1.48Å | |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | C10 | sing | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | CL2 | sing | 1.74Å | 1.65Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C7 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C68 | H11 | sing | 1.08Å | 1.08Å | |
| C67 | H12 | sing | 1.08Å | 1.08Å | |
| C66 | H13 | sing | 1.08Å | 1.08Å | |
| C65 | H14 | sing | 1.08Å | 1.08Å | |
| C64 | H15 | sing | 1.08Å | 1.08Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| N19 | H18 | sing | 0.97Å | 1.00Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C30 | H21 | sing | 1.09Å | 1.10Å | |
| C35 | H22 | sing | 1.09Å | 1.10Å | |
| C35 | H23 | sing | 1.09Å | 1.10Å | |
| C35 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| N57 | H26 | sing | 0.97Å | 1.00Å | |
| N57 | H27 | sing | 0.97Å | 1.00Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| C28 | H29 | sing | 1.08Å | 1.08Å | |
| O33 | H30 | sing | 0.97Å | 0.95Å | |
| C11 | H31 | sing | 1.09Å | 1.10Å | |
| N12 | H32 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C66 | C67 | C68 | 121.4° | 120.1° |
| C67 | C66 | C65 | 118.8° | 120.1° |
| C66 | C67 | H12 | 119.3° | 120.0° |
| C67 | C66 | H13 | 120.6° | 119.9° |
| C67 | C68 | C63 | 119.2° | 119.9° |
| C67 | C68 | H11 | 120.4° | 120.0° |
| C68 | C67 | H12 | 119.3° | 119.9° |
| C66 | C65 | C64 | 120.0° | 120.1° |
| C65 | C66 | H13 | 120.6° | 120.0° |
| C66 | C65 | H14 | 120.0° | 120.0° |
| C68 | C63 | C64 | 118.8° | 119.9° |
| C68 | C63 | O62 | 125.2° | 120.1° |
| C63 | C68 | H11 | 120.4° | 120.0° |
| C65 | C64 | C63 | 121.4° | 119.9° |
| C64 | C65 | H14 | 120.0° | 120.0° |
| C65 | C64 | H15 | 119.3° | 120.1° |
| C64 | C63 | O62 | 115.6° | 120.1° |
| C63 | C64 | H15 | 119.3° | 120.0° |
| C63 | O62 | N14 | 118.1° | 114.0° |
| O18 | C17 | N19 | 118.7° | 120.0° |
| O18 | C17 | N16 | 121.7° | 120.0° |
| O62 | N14 | C13 | 111.3° | 120.0° |
| N14 | C13 | C15 | 116.0° | 120.4° |
| N14 | C13 | N12 | 122.5° | 120.4° |
| C20 | C30 | C35 | 114.1° | 109.5° |
| C30 | C20 | C21 | 128.5° | 109.5° |
| C30 | C20 | N19 | 107.0° | 109.5° |
| C30 | C20 | H19 | 107.4° | 109.5° |
| C20 | C30 | H20 | 108.3° | 109.4° |
| C20 | C30 | H21 | 108.3° | 109.5° |
| C35 | C30 | H20 | 108.3° | 109.5° |
| C35 | C30 | H21 | 108.3° | 109.5° |
| C30 | C35 | H22 | 109.5° | 109.4° |
| C30 | C35 | H23 | 109.4° | 109.5° |
| C30 | C35 | H24 | 109.4° | 109.5° |
| C21 | C20 | N19 | 96.2° | 109.5° |
| C20 | C21 | C29 | 117.1° | 119.8° |
| C20 | C21 | C25 | 124.3° | 119.8° |
| C21 | C20 | H19 | 107.8° | 109.5° |
| C20 | N19 | C17 | 124.5° | 120.0° |
| C20 | N19 | H18 | 117.7° | 120.0° |
| N19 | C20 | H19 | 108.4° | 109.5° |
| N19 | C17 | N16 | 119.4° | 120.0° |
| C17 | N19 | H18 | 117.7° | 120.0° |
| C17 | N16 | C15 | 114.2° | 120.2° |
| C17 | N16 | C1 | 124.3° | 120.3° |
| C21 | C29 | C28 | 120.9° | 120.4° |
| C29 | C21 | C25 | 118.1° | 120.4° |
| C21 | C29 | H28 | 119.6° | 119.8° |
| C29 | C28 | C27 | 121.2° | 119.9° |
| C28 | C29 | H28 | 119.6° | 119.8° |
| C29 | C28 | H29 | 119.4° | 120.0° |
| C13 | C15 | N16 | 112.1° | 108.6° |
| C15 | C13 | N12 | 121.4° | 119.2° |
| C13 | C15 | H16 | 108.8° | 109.6° |
| C13 | C15 | H17 | 108.8° | 109.5° |
| C15 | N16 | C1 | 121.2° | 119.4° |
| N16 | C15 | H16 | 108.8° | 109.8° |
| N16 | C15 | H17 | 108.8° | 109.6° |
| C13 | N12 | C11 | 129.6° | 120.0° |
| C13 | N12 | H32 | 115.2° | 120.0° |
| C21 | C25 | C26 | 121.9° | 120.0° |
| C21 | C25 | H25 | 119.0° | 120.0° |
| C28 | C27 | C26 | 118.5° | 119.6° |
| C28 | C27 | C31 | 117.5° | 120.2° |
| C27 | C28 | H29 | 119.4° | 120.0° |
| N16 | C1 | O2 | 123.8° | 119.7° |
| N16 | C1 | C3 | 116.5° | 120.5° |
| N12 | C11 | C3 | 121.9° | 109.1° |
| N12 | C11 | H10 | 106.3° | 109.5° |
| N12 | C11 | H31 | 106.3° | 109.6° |
| C11 | N12 | H32 | 115.2° | 120.0° |
| C25 | C26 | C27 | 119.4° | 119.7° |
| C25 | C26 | N57 | 118.0° | 120.1° |
| C26 | C25 | H25 | 119.1° | 120.0° |
| C26 | C27 | C31 | 124.0° | 120.2° |
| C27 | C26 | N57 | 122.6° | 120.2° |
| C27 | C31 | O32 | 120.4° | 120.0° |
| C27 | C31 | O33 | 118.4° | 120.0° |
| O32 | C31 | O33 | 121.2° | 120.0° |
| O2 | C1 | C3 | 119.7° | 119.7° |
| C1 | C3 | C11 | 117.3° | 109.2° |
| C1 | C3 | C4 | 117.5° | 109.5° |
| C1 | C3 | H9 | 100.8° | 109.5° |
| C26 | N57 | H26 | 109.5° | 120.0° |
| C26 | N57 | H27 | 109.4° | 120.0° |
| C31 | O33 | H30 | 109.5° | 117.0° |
| C11 | C3 | C4 | 114.9° | 109.5° |
| C11 | C3 | H9 | 100.7° | 109.5° |
| C3 | C11 | H10 | 106.3° | 109.5° |
| C3 | C11 | H31 | 106.3° | 109.5° |
| C3 | C4 | C5 | 119.7° | 109.5° |
| C3 | C4 | H7 | 106.8° | 109.5° |
| C3 | C4 | H8 | 106.9° | 109.5° |
| C4 | C3 | H9 | 100.8° | 109.6° |
| C24 | O23 | C6 | 122.4° | 117.0° |
| O23 | C24 | H4 | 109.5° | 109.5° |
| O23 | C24 | H5 | 109.5° | 109.5° |
| O23 | C24 | H6 | 109.5° | 109.4° |
| O23 | C6 | C5 | 113.2° | 120.1° |
| O23 | C6 | C7 | 128.8° | 120.0° |
| C4 | C5 | C6 | 117.5° | 120.0° |
| C4 | C5 | C10 | 120.8° | 120.0° |
| C5 | C4 | H7 | 106.9° | 109.4° |
| C5 | C4 | H8 | 106.9° | 109.5° |
| C5 | C6 | C7 | 117.9° | 119.9° |
| C6 | C5 | C10 | 121.6° | 120.0° |
| C6 | C7 | C8 | 122.2° | 119.9° |
| C6 | C7 | H3 | 118.9° | 120.0° |
| C5 | C10 | C9 | 117.9° | 120.0° |
| C5 | C10 | H1 | 121.1° | 120.0° |
| C7 | C8 | C9 | 117.3° | 120.1° |
| C7 | C8 | H2 | 121.4° | 120.0° |
| C8 | C7 | H3 | 118.9° | 120.0° |
| C10 | C9 | C8 | 123.1° | 120.1° |
| C10 | C9 | CL2 | 120.8° | 119.9° |
| C9 | C10 | H1 | 121.0° | 120.0° |
| C8 | C9 | CL2 | 116.1° | 120.0° |
| C9 | C8 | H2 | 121.4° | 120.0° |
| H4 | C24 | H5 | 109.4° | 109.5° |
| H4 | C24 | H6 | 109.5° | 109.5° |
| H5 | C24 | H6 | 109.5° | 109.4° |
| H7 | C4 | H8 | 109.4° | 109.5° |
| H10 | C11 | H31 | 109.4° | 109.6° |
| H16 | C15 | H17 | 109.5° | 109.7° |
| H20 | C30 | H21 | 109.5° | 109.5° |
| H22 | C35 | H23 | 109.5° | 109.5° |
| H22 | C35 | H24 | 109.5° | 109.4° |
| H23 | C35 | H24 | 109.5° | 109.5° |
| H26 | N57 | H27 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C66 | C67 | C68 | H12 | 180.0° | 180.0° |
| C67 | C66 | C65 | H13 | 180.0° | 180.0° |
| C66 | C67 | C68 | C63 | 4.4° | 0.0° |
| C67 | C66 | C65 | C64 | 3.5° | 0.0° |
| C66 | C67 | C68 | H11 | 175.6° | 180.0° |
| C67 | C66 | C65 | H14 | 176.5° | 180.0° |
| C68 | C67 | C66 | C65 | 3.5° | 0.0° |
| C67 | C68 | C63 | H11 | 180.0° | 180.0° |
| C67 | C68 | C63 | C64 | 5.1° | 0.0° |
| C67 | C68 | C63 | O62 | 177.8° | 179.8° |
| C68 | C67 | C66 | H13 | 176.5° | 180.0° |
| C66 | C65 | C64 | H14 | 180.0° | 180.0° |
| C66 | C65 | C64 | C63 | 4.5° | 0.0° |
| C65 | C66 | C67 | H12 | 176.5° | 179.9° |
| C66 | C65 | C64 | H15 | 175.5° | 179.7° |
| C68 | C63 | C64 | C65 | 5.3° | 0.0° |
| C68 | C63 | C64 | O62 | 173.4° | 179.7° |
| C68 | C63 | O62 | N14 | 0.3° | 89.7° |
| C63 | C68 | C67 | H12 | 175.6° | 180.0° |
| C68 | C63 | C64 | H15 | 174.7° | 179.7° |
| C65 | C64 | C63 | H15 | 180.0° | 179.7° |
| C65 | C64 | C63 | O62 | 178.6° | 179.7° |
| C64 | C65 | C66 | H13 | 176.5° | 180.0° |
| C64 | C63 | O62 | N14 | 173.2° | 90.1° |
| C64 | C63 | C68 | H11 | 174.9° | 180.0° |
| C63 | C64 | C65 | H14 | 175.5° | 180.0° |
| C63 | O62 | N14 | C13 | 172.7° | 180.0° |
| O62 | C63 | C68 | H11 | 2.3° | 0.3° |
| O62 | C63 | C64 | H15 | 1.4° | 0.1° |
| O18 | C17 | N19 | C20 | 6.6° | 4.8° |
| O18 | C17 | N19 | N16 | 174.6° | 180.0° |
| O18 | C17 | N16 | C15 | 4.8° | 174.9° |
| O18 | C17 | N16 | C1 | 179.4° | 5.5° |
| O18 | C17 | N19 | H18 | 173.4° | 175.2° |
| O62 | N14 | C13 | C15 | 176.8° | 180.0° |
| O62 | N14 | C13 | N12 | 5.2° | 0.1° |
| N14 | C13 | C15 | N12 | 177.9° | 179.9° |
| N14 | C13 | C15 | N16 | 123.0° | 101.4° |
| N14 | C13 | N12 | C11 | 179.8° | 120.9° |
| N14 | C13 | C15 | H16 | 2.6° | 138.7° |
| N14 | C13 | C15 | H17 | 116.6° | 18.3° |
| N14 | C13 | N12 | H32 | 0.2° | 59.0° |
| C20 | C30 | C35 | H20 | 120.7° | 120.0° |
| C20 | C30 | C35 | H21 | 120.7° | 120.0° |
| C30 | C20 | C21 | N19 | 117.5° | 120.0° |
| C30 | C20 | C21 | H19 | 131.0° | 120.0° |
| C30 | C20 | N19 | H19 | 115.5° | 120.0° |
| C30 | C20 | N19 | C17 | 95.7° | 85.0° |
| C30 | C20 | C21 | C29 | 156.8° | 80.3° |
| C30 | C20 | C21 | C25 | 31.3° | 100.0° |
| C30 | C20 | N19 | H18 | 84.3° | 95.0° |
| C20 | C30 | H20 | H21 | 117.9° | 120.0° |
| C20 | C30 | C35 | H22 | 180.0° | 60.0° |
| C20 | C30 | C35 | H23 | 60.0° | 60.0° |
| C20 | C30 | C35 | H24 | 60.0° | 180.0° |
| C35 | C30 | C20 | C21 | 21.6° | 175.0° |
| C35 | C30 | C20 | N19 | 134.3° | 65.0° |
| C35 | C30 | C20 | H19 | 109.5° | 55.0° |
| C35 | C30 | H20 | H21 | 117.9° | 120.0° |
| C30 | C35 | H22 | H23 | 120.0° | 120.0° |
| C30 | C35 | H22 | H24 | 120.0° | 120.0° |
| C30 | C35 | H23 | H24 | 119.9° | 120.1° |
| C21 | C20 | N19 | H19 | 111.1° | 120.0° |
| C21 | C20 | N19 | C17 | 130.9° | 155.0° |
| C20 | C21 | C29 | C25 | 172.4° | 179.7° |
| C20 | C21 | C29 | C28 | 175.8° | 180.0° |
| C20 | C21 | C25 | C26 | 176.5° | 180.0° |
| C21 | C20 | N19 | H18 | 49.1° | 25.0° |
| C21 | C20 | C30 | H20 | 99.1° | 55.0° |
| C21 | C20 | C30 | H21 | 142.3° | 65.0° |
| C20 | C21 | C25 | H25 | 3.5° | 0.1° |
| C20 | C21 | C29 | H28 | 4.2° | 0.0° |
| C20 | N19 | C17 | H18 | 180.0° | 179.9° |
| C20 | N19 | C17 | N16 | 178.8° | 175.2° |
| N19 | C20 | C21 | C29 | 85.7° | 39.7° |
| N19 | C20 | C21 | C25 | 86.2° | 140.0° |
| N19 | C20 | C30 | H20 | 13.7° | 175.0° |
| N19 | C20 | C30 | H21 | 105.0° | 55.0° |
| N19 | C17 | N16 | C15 | 179.2° | 5.0° |
| N19 | C17 | N16 | C1 | 6.2° | 174.6° |
| C17 | N19 | C20 | H19 | 19.8° | 35.0° |
| C17 | N16 | C15 | C13 | 108.1° | 111.9° |
| C17 | N16 | C15 | C1 | 174.7° | 179.6° |
| C17 | N16 | C1 | O2 | 5.3° | 2.9° |
| C17 | N16 | C1 | C3 | 172.6° | 176.8° |
| C17 | N16 | C15 | H16 | 12.3° | 128.3° |
| C17 | N16 | C15 | H17 | 131.4° | 7.8° |
| N16 | C17 | N19 | H18 | 1.2° | 4.7° |
| C21 | C29 | C28 | H28 | 180.0° | 179.9° |
| C21 | C29 | C28 | C27 | 0.7° | 0.0° |
| C29 | C21 | C25 | C26 | 4.7° | 0.3° |
| C29 | C21 | C20 | H19 | 25.9° | 159.7° |
| C29 | C21 | C25 | H25 | 175.3° | 179.8° |
| C21 | C29 | C28 | H29 | 179.3° | 180.0° |
| C28 | C29 | C21 | C25 | 3.4° | 0.3° |
| C29 | C28 | C27 | H29 | 180.0° | 179.9° |
| C29 | C28 | C27 | C26 | 0.8° | 0.3° |
| C29 | C28 | C27 | C31 | 179.8° | 179.9° |
| C13 | C15 | N16 | H16 | 120.4° | 119.8° |
| C13 | C15 | N16 | H17 | 120.4° | 119.7° |
| C13 | C15 | N16 | C1 | 77.1° | 68.5° |
| C15 | C13 | N12 | C11 | 2.4° | 59.0° |
| C13 | C15 | H16 | H17 | 118.8° | 120.3° |
| C15 | C13 | N12 | H32 | 177.6° | 121.1° |
| N16 | C15 | C13 | N12 | 55.0° | 78.5° |
| C15 | N16 | C1 | O2 | 168.8° | 176.7° |
| C15 | N16 | C1 | C3 | 13.3° | 3.6° |
| N16 | C15 | H16 | H17 | 118.8° | 120.5° |
| C13 | N12 | C11 | H32 | 180.0° | 179.9° |
| C13 | N12 | C11 | C3 | 4.5° | 59.5° |
| C13 | N12 | C11 | H10 | 117.2° | 179.4° |
| N12 | C13 | C15 | H16 | 175.4° | 41.4° |
| N12 | C13 | C15 | H17 | 65.4° | 161.8° |
| C13 | N12 | C11 | H31 | 126.2° | 60.5° |
| C21 | C25 | C26 | H25 | 180.0° | 179.9° |
| C21 | C25 | C26 | C27 | 3.2° | 0.0° |
| C21 | C25 | C26 | N57 | 176.0° | 180.0° |
| C25 | C21 | C20 | H19 | 162.3° | 20.0° |
| C25 | C21 | C29 | H28 | 176.6° | 179.7° |
| C28 | C27 | C26 | C25 | 0.4° | 0.3° |
| C28 | C27 | C26 | C31 | 179.3° | 179.7° |
| C28 | C27 | C31 | O32 | 0.3° | 174.3° |
| C28 | C27 | C26 | N57 | 178.7° | 179.7° |
| C28 | C27 | C31 | O33 | 179.8° | 5.7° |
| C27 | C28 | C29 | H28 | 179.3° | 180.0° |
| N16 | C1 | O2 | C3 | 177.8° | 179.7° |
| N16 | C1 | C3 | C11 | 55.9° | 70.8° |
| N16 | C1 | C3 | C4 | 160.7° | 49.1° |
| N16 | C1 | C3 | H9 | 52.3° | 169.3° |
| C1 | N16 | C15 | H16 | 162.5° | 51.3° |
| C1 | N16 | C15 | H17 | 43.3° | 171.8° |
| N12 | C11 | C3 | C1 | 48.6° | 82.5° |
| N12 | C11 | C3 | H10 | 121.7° | 119.8° |
| N12 | C11 | C3 | H31 | 121.7° | 120.0° |
| N12 | C11 | C3 | C4 | 167.1° | 37.4° |
| N12 | C11 | C3 | H9 | 59.6° | 157.6° |
| N12 | C11 | H10 | H31 | 114.4° | 120.2° |
| C25 | C26 | C27 | N57 | 179.1° | 180.0° |
| C25 | C26 | C27 | C31 | 178.9° | 180.0° |
| C25 | C26 | N57 | H26 | 180.0° | 9.4° |
| C25 | C26 | N57 | H27 | 60.0° | 170.7° |
| C26 | C27 | C31 | O32 | 179.6° | 5.4° |
| C26 | C27 | C31 | O33 | 0.9° | 174.6° |
| C27 | C26 | C25 | H25 | 176.8° | 179.9° |
| C27 | C26 | N57 | H26 | 0.9° | 170.6° |
| C27 | C26 | N57 | H27 | 120.9° | 9.3° |
| C26 | C27 | C28 | H29 | 179.1° | 179.7° |
| C27 | C31 | O32 | O33 | 179.4° | 180.0° |
| C31 | C27 | C26 | N57 | 1.9° | 0.0° |
| C31 | C27 | C28 | H29 | 0.2° | 0.0° |
| C27 | C31 | O33 | H30 | 179.4° | 180.0° |
| O32 | C31 | O33 | H30 | 0.0° | 0.1° |
| O2 | C1 | C3 | C11 | 122.1° | 108.9° |
| O2 | C1 | C3 | C4 | 21.3° | 131.2° |
| O2 | C1 | C3 | H9 | 129.7° | 11.0° |
| C1 | C3 | C11 | C4 | 144.4° | 119.9° |
| C1 | C3 | C11 | H9 | 108.2° | 119.9° |
| C1 | C3 | C4 | H9 | 108.4° | 120.1° |
| C1 | C3 | C4 | C5 | 173.4° | 149.0° |
| C1 | C3 | C4 | H7 | 65.2° | 29.1° |
| C1 | C3 | C4 | H8 | 51.9° | 90.9° |
| C1 | C3 | C11 | H10 | 170.3° | 157.7° |
| C1 | C3 | C11 | H31 | 73.1° | 37.5° |
| N57 | C26 | C25 | H25 | 4.1° | 0.1° |
| C26 | N57 | H26 | H27 | 120.0° | 179.9° |
| C11 | C3 | C4 | H9 | 107.3° | 120.2° |
| C11 | C3 | C4 | C5 | 42.4° | 91.2° |
| C11 | C3 | C4 | H7 | 79.1° | 148.8° |
| C11 | C3 | C4 | H8 | 163.8° | 28.8° |
| C3 | C11 | H10 | H31 | 114.4° | 120.2° |
| C3 | C11 | N12 | H32 | 175.4° | 120.6° |
| C3 | C4 | C5 | H7 | 121.5° | 120.0° |
| C3 | C4 | C5 | H8 | 121.5° | 120.0° |
| C3 | C4 | C5 | C6 | 83.4° | 98.5° |
| C3 | C4 | C5 | C10 | 95.4° | 81.1° |
| C3 | C4 | H7 | H8 | 115.3° | 120.0° |
| C4 | C3 | C11 | H10 | 45.3° | 82.4° |
| C4 | C3 | C11 | H31 | 71.2° | 157.4° |
| C24 | O23 | C6 | C5 | 179.7° | 174.5° |
| C24 | O23 | C6 | C7 | 3.7° | 5.2° |
| O23 | C24 | H4 | H5 | 120.0° | 120.0° |
| O23 | C24 | H4 | H6 | 120.0° | 120.0° |
| O23 | C24 | H5 | H6 | 120.0° | 119.9° |
| O23 | C6 | C5 | C4 | 3.9° | 0.3° |
| O23 | C6 | C5 | C7 | 177.0° | 179.7° |
| O23 | C6 | C5 | C10 | 174.8° | 180.0° |
| O23 | C6 | C7 | C8 | 176.8° | 180.0° |
| O23 | C6 | C7 | H3 | 3.1° | 0.0° |
| C6 | O23 | C24 | H4 | 180.0° | 60.0° |
| C6 | O23 | C24 | H5 | 60.0° | 60.0° |
| C6 | O23 | C24 | H6 | 60.0° | 180.0° |
| C4 | C5 | C6 | C10 | 178.8° | 179.7° |
| C4 | C5 | C6 | C7 | 179.0° | 180.0° |
| C4 | C5 | C10 | C9 | 178.3° | 179.8° |
| C4 | C5 | C10 | H1 | 1.8° | 0.3° |
| C5 | C4 | H7 | H8 | 115.4° | 120.0° |
| C5 | C4 | C3 | H9 | 65.0° | 28.9° |
| C5 | C6 | C7 | C8 | 0.4° | 0.3° |
| C6 | C5 | C10 | C9 | 3.0° | 0.1° |
| C6 | C5 | C10 | H1 | 177.0° | 180.0° |
| C5 | C6 | C7 | H3 | 179.6° | 179.7° |
| C6 | C5 | C4 | H7 | 155.2° | 141.5° |
| C6 | C5 | C4 | H8 | 38.1° | 21.5° |
| C7 | C6 | C5 | C10 | 2.2° | 0.3° |
| C6 | C7 | C8 | H3 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 1.9° | 0.0° |
| C6 | C7 | C8 | H2 | 178.1° | 180.0° |
| C5 | C10 | C9 | H1 | 180.0° | 179.9° |
| C5 | C10 | C9 | C8 | 1.4° | 0.2° |
| C5 | C10 | C9 | CL2 | 177.1° | 179.9° |
| C10 | C5 | C4 | H7 | 26.1° | 38.9° |
| C10 | C5 | C4 | H8 | 143.1° | 158.8° |
| C7 | C8 | C9 | C10 | 1.0° | 0.2° |
| C7 | C8 | C9 | H2 | 180.0° | 180.0° |
| C7 | C8 | C9 | CL2 | 179.6° | 180.0° |
| C10 | C9 | C8 | CL2 | 178.5° | 179.7° |
| C10 | C9 | C8 | H2 | 179.0° | 179.8° |
| C8 | C9 | C10 | H1 | 178.6° | 179.7° |
| C9 | C8 | C7 | H3 | 178.1° | 180.0° |
| CL2 | C9 | C10 | H1 | 2.9° | 0.0° |
| CL2 | C9 | C8 | H2 | 0.4° | 0.1° |
| H2 | C8 | C7 | H3 | 1.9° | 0.1° |
| H4 | C24 | H5 | H6 | 120.0° | 120.0° |
| H7 | C4 | C3 | H9 | 173.6° | 91.0° |
| H8 | C4 | C3 | H9 | 56.5° | 149.0° |
| H9 | C3 | C11 | H10 | 62.1° | 37.8° |
| H9 | C3 | C11 | H31 | 178.6° | 82.5° |
| H10 | C11 | N12 | H32 | 62.8° | 0.7° |
| H11 | C68 | C67 | H12 | 4.3° | 0.0° |
| H12 | C67 | C66 | H13 | 3.5° | 0.1° |
| H13 | C66 | C65 | H14 | 3.5° | 0.0° |
| H14 | C65 | C64 | H15 | 4.5° | 0.3° |
| H18 | N19 | C20 | H19 | 160.1° | 145.0° |
| H19 | C20 | C30 | H20 | 129.8° | 65.0° |
| H19 | C20 | C30 | H21 | 11.2° | 175.0° |
| H20 | C30 | C35 | H22 | 59.3° | 180.0° |
| H20 | C30 | C35 | H23 | 179.3° | 60.0° |
| H20 | C30 | C35 | H24 | 60.7° | 60.1° |
| H21 | C30 | C35 | H22 | 59.3° | 60.0° |
| H21 | C30 | C35 | H23 | 60.7° | 180.0° |
| H21 | C30 | C35 | H24 | 179.3° | 60.0° |
| H22 | C35 | H23 | H24 | 120.0° | 120.0° |
| H28 | C29 | C28 | H29 | 0.7° | 0.1° |
| H31 | C11 | N12 | H32 | 53.7° | 119.4° |
